USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 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 10 LYS NZ :NH3+ -118:sc= 0.0111 (180deg=-0.201) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0.0269 USER MOD Set 2.1: A 81 THR OG1 : rot 22:sc= 1.04 USER MOD Set 2.2: A 83 THR OG1 : rot 134:sc= 0.866 USER MOD Set 2.3: A 86 TYR OH : rot 180:sc= 0.67 USER MOD Set 3.1: A 16 HIS : no HD1:sc= 0.00114 X(o=-0.058,f=-0.2) USER MOD Set 3.2: A 18 THR OG1 : rot -160:sc= -0.0713 USER MOD Set 3.3: A 25 LYS NZ :NH3+ 143:sc= 0.0125 (180deg=-0.12) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -37:sc= 0.836 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -5.7! K(o=-5.7!,f=-3) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -3:sc= 0.85! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 41 ASN : amide:sc=-0.00111 K(o=-0.0011,f=-1.2) 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 HD1:sc= -4.7! C(o=-4.7!,f=-7.1!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -166:sc= -0.357 (180deg=-1.13) USER MOD Single : A 91 ASN : amide:sc= -6.27! C(o=-6.3!,f=-6!) USER MOD Single : A 112 GLN : amide:sc= -0.0878 K(o=-0.088,f=-2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -2.883 3.167 8.747 1.00 0.00 N ATOM 100 CA LYS A 10 -3.030 1.764 8.379 1.00 0.00 C ATOM 101 C LYS A 10 -1.667 1.104 8.192 1.00 0.00 C ATOM 102 O LYS A 10 -0.841 1.577 7.412 1.00 0.00 O ATOM 103 CB LYS A 10 -3.850 1.636 7.093 1.00 0.00 C ATOM 104 CG LYS A 10 -4.581 0.310 6.967 1.00 0.00 C ATOM 105 CD LYS A 10 -5.295 0.191 5.631 1.00 0.00 C ATOM 106 CE LYS A 10 -6.240 -1.000 5.609 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.413 -0.794 6.502 1.00 0.00 N ATOM 0 HA LYS A 10 -3.553 1.255 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.577 2.447 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.188 1.759 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.871 -0.510 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.304 0.214 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.855 1.105 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.560 0.089 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.585 -1.171 4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.702 -1.896 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.413 -1.518 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.358 0.150 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.289 -0.869 5.947 1.00 0.00 H new ATOM 121 N GLU A 11 -1.441 0.010 8.912 1.00 0.00 N ATOM 122 CA GLU A 11 -0.178 -0.714 8.824 1.00 0.00 C ATOM 123 C GLU A 11 -0.418 -2.219 8.742 1.00 0.00 C ATOM 124 O GLU A 11 -1.407 -2.730 9.265 1.00 0.00 O ATOM 125 CB GLU A 11 0.705 -0.392 10.031 1.00 0.00 C ATOM 126 CG GLU A 11 0.549 1.032 10.537 1.00 0.00 C ATOM 127 CD GLU A 11 -0.799 1.276 11.186 1.00 0.00 C ATOM 128 OE1 GLU A 11 -1.373 0.315 11.739 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.280 2.428 11.142 1.00 0.00 O ATOM 0 H GLU A 11 -2.115 -0.394 9.562 1.00 0.00 H new ATOM 0 HA GLU A 11 0.332 -0.395 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.467 -1.084 10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.748 -0.561 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.339 1.246 11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.679 1.725 9.706 1.00 0.00 H new ATOM 136 N GLY A 12 0.496 -2.923 8.081 1.00 0.00 N ATOM 137 CA GLY A 12 0.367 -4.362 7.942 1.00 0.00 C ATOM 138 C GLY A 12 1.324 -4.933 6.915 1.00 0.00 C ATOM 139 O GLY A 12 1.955 -4.190 6.164 1.00 0.00 O ATOM 0 H GLY A 12 1.324 -2.522 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.550 -4.835 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.656 -4.606 7.656 1.00 0.00 H new ATOM 143 N TRP A 13 1.432 -6.257 6.883 1.00 0.00 N ATOM 144 CA TRP A 13 2.321 -6.927 5.941 1.00 0.00 C ATOM 145 C TRP A 13 1.643 -7.111 4.588 1.00 0.00 C ATOM 146 O TRP A 13 0.578 -7.721 4.495 1.00 0.00 O ATOM 147 CB TRP A 13 2.755 -8.285 6.496 1.00 0.00 C ATOM 148 CG TRP A 13 3.627 -8.179 7.710 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.220 -8.175 9.014 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.054 -8.059 7.733 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.308 -8.060 9.846 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.444 -7.989 9.085 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.040 -8.008 6.744 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.777 -7.868 9.469 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.362 -7.887 7.127 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.721 -7.819 8.479 1.00 0.00 C ATOM 0 H TRP A 13 0.916 -6.887 7.498 1.00 0.00 H new ATOM 0 HA TRP A 13 3.202 -6.300 5.802 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.868 -8.868 6.744 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.290 -8.833 5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.194 -8.251 9.343 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.275 -8.032 10.865 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.773 -8.062 5.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.056 -7.815 10.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.132 -7.844 6.371 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.763 -7.726 8.746 1.00 0.00 H new ATOM 167 N MET A 14 2.266 -6.579 3.541 1.00 0.00 N ATOM 168 CA MET A 14 1.721 -6.687 2.193 1.00 0.00 C ATOM 169 C MET A 14 2.773 -7.213 1.221 1.00 0.00 C ATOM 170 O MET A 14 3.971 -7.005 1.416 1.00 0.00 O ATOM 171 CB MET A 14 1.207 -5.326 1.718 1.00 0.00 C ATOM 172 CG MET A 14 0.459 -5.388 0.396 1.00 0.00 C ATOM 173 SD MET A 14 -0.797 -6.681 0.367 1.00 0.00 S ATOM 174 CE MET A 14 -2.205 -5.800 1.038 1.00 0.00 C ATOM 0 H MET A 14 3.148 -6.069 3.600 1.00 0.00 H new ATOM 0 HA MET A 14 0.891 -7.393 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.548 -4.909 2.480 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.050 -4.643 1.617 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.013 -4.424 0.205 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.171 -5.560 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.065 -6.469 1.083 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.968 -5.445 2.041 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.440 -4.949 0.398 1.00 0.00 H new ATOM 184 N VAL A 15 2.319 -7.895 0.175 1.00 0.00 N ATOM 185 CA VAL A 15 3.221 -8.450 -0.827 1.00 0.00 C ATOM 186 C VAL A 15 2.980 -7.818 -2.193 1.00 0.00 C ATOM 187 O VAL A 15 1.837 -7.663 -2.625 1.00 0.00 O ATOM 188 CB VAL A 15 3.059 -9.977 -0.943 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.402 -10.652 0.376 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.646 -10.331 -1.381 1.00 0.00 C ATOM 0 H VAL A 15 1.331 -8.077 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 15 4.236 -8.224 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 15 3.752 -10.342 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.282 -11.731 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.434 -10.425 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.736 -10.284 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.549 -11.414 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.933 -9.954 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.442 -9.879 -2.352 1.00 0.00 H new ATOM 200 N HIS A 16 4.064 -7.456 -2.871 1.00 0.00 N ATOM 201 CA HIS A 16 3.971 -6.841 -4.191 1.00 0.00 C ATOM 202 C HIS A 16 5.120 -7.298 -5.085 1.00 0.00 C ATOM 203 O HIS A 16 6.007 -8.031 -4.647 1.00 0.00 O ATOM 204 CB HIS A 16 3.979 -5.317 -4.069 1.00 0.00 C ATOM 205 CG HIS A 16 5.354 -4.725 -4.054 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.268 -4.968 -3.050 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.971 -3.897 -4.929 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.386 -4.313 -3.307 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.233 -3.656 -4.443 1.00 0.00 N ATOM 0 H HIS A 16 5.017 -7.578 -2.529 1.00 0.00 H new ATOM 0 HA HIS A 16 3.032 -7.156 -4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.418 -4.891 -4.901 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.459 -5.031 -3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.549 -3.499 -5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.274 -4.314 -2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.937 -3.066 -4.887 1.00 0.00 H new ATOM 218 N TYR A 17 5.097 -6.861 -6.339 1.00 0.00 N ATOM 219 CA TYR A 17 6.135 -7.227 -7.295 1.00 0.00 C ATOM 220 C TYR A 17 6.197 -6.224 -8.443 1.00 0.00 C ATOM 221 O TYR A 17 5.170 -5.731 -8.910 1.00 0.00 O ATOM 222 CB TYR A 17 5.878 -8.632 -7.845 1.00 0.00 C ATOM 223 CG TYR A 17 4.660 -8.720 -8.735 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.735 -8.394 -10.084 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.433 -9.132 -8.228 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.623 -8.472 -10.901 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.317 -9.215 -9.038 1.00 0.00 C ATOM 228 CZ TYR A 17 2.417 -8.884 -10.373 1.00 0.00 C ATOM 229 OH TYR A 17 1.308 -8.965 -11.184 1.00 0.00 O ATOM 0 H TYR A 17 4.371 -6.253 -6.717 1.00 0.00 H new ATOM 0 HA TYR A 17 7.093 -7.216 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.753 -8.959 -8.407 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.759 -9.323 -7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.679 -8.074 -10.501 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.351 -9.392 -7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.698 -8.212 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.371 -9.537 -8.628 1.00 0.00 H new ATOM 0 HH TYR A 17 1.321 -8.229 -11.831 1.00 0.00 H new ATOM 239 N THR A 18 7.412 -5.925 -8.894 1.00 0.00 N ATOM 240 CA THR A 18 7.611 -4.980 -9.985 1.00 0.00 C ATOM 241 C THR A 18 7.634 -5.694 -11.332 1.00 0.00 C ATOM 242 O THR A 18 7.805 -6.911 -11.398 1.00 0.00 O ATOM 243 CB THR A 18 8.922 -4.190 -9.813 1.00 0.00 C ATOM 244 OG1 THR A 18 9.986 -5.080 -9.457 1.00 0.00 O ATOM 245 CG2 THR A 18 8.771 -3.118 -8.744 1.00 0.00 C ATOM 0 H THR A 18 8.273 -6.324 -8.520 1.00 0.00 H new ATOM 0 HA THR A 18 6.772 -4.285 -9.959 1.00 0.00 H new ATOM 0 HB THR A 18 9.156 -3.705 -10.761 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.715 -4.570 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.709 -2.573 -8.640 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.979 -2.426 -9.032 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.516 -3.586 -7.793 1.00 0.00 H new ATOM 253 N SER A 19 7.461 -4.928 -12.405 1.00 0.00 N ATOM 254 CA SER A 19 7.460 -5.489 -13.752 1.00 0.00 C ATOM 255 C SER A 19 8.825 -6.075 -14.098 1.00 0.00 C ATOM 256 O SER A 19 8.920 -7.177 -14.639 1.00 0.00 O ATOM 257 CB SER A 19 7.079 -4.415 -14.773 1.00 0.00 C ATOM 258 OG SER A 19 7.400 -4.828 -16.090 1.00 0.00 O ATOM 0 H SER A 19 7.320 -3.918 -12.368 1.00 0.00 H new ATOM 0 HA SER A 19 6.722 -6.290 -13.785 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.012 -4.205 -14.704 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.602 -3.487 -14.542 1.00 0.00 H new ATOM 0 HG SER A 19 7.146 -4.126 -16.724 1.00 0.00 H new ATOM 264 N ARG A 20 9.879 -5.331 -13.781 1.00 0.00 N ATOM 265 CA ARG A 20 11.240 -5.775 -14.059 1.00 0.00 C ATOM 266 C ARG A 20 11.641 -6.914 -13.127 1.00 0.00 C ATOM 267 O ARG A 20 12.102 -7.964 -13.575 1.00 0.00 O ATOM 268 CB ARG A 20 12.220 -4.610 -13.910 1.00 0.00 C ATOM 269 CG ARG A 20 13.510 -4.796 -14.691 1.00 0.00 C ATOM 270 CD ARG A 20 14.545 -3.746 -14.317 1.00 0.00 C ATOM 271 NE ARG A 20 15.770 -3.881 -15.099 1.00 0.00 N ATOM 272 CZ ARG A 20 16.937 -3.363 -14.733 1.00 0.00 C ATOM 273 NH1 ARG A 20 17.036 -2.679 -13.601 1.00 0.00 N ATOM 274 NH2 ARG A 20 18.008 -3.529 -15.498 1.00 0.00 N ATOM 0 H ARG A 20 9.817 -4.418 -13.331 1.00 0.00 H new ATOM 0 HA ARG A 20 11.274 -6.140 -15.086 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.734 -3.693 -14.241 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.460 -4.481 -12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.913 -5.790 -14.498 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.301 -4.738 -15.759 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.125 -2.752 -14.471 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.781 -3.832 -13.256 1.00 0.00 H new ATOM 0 HE ARG A 20 15.728 -4.402 -15.975 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.215 -2.550 -13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.933 -2.282 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.936 -4.055 -16.369 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.903 -3.130 -15.215 1.00 0.00 H new ATOM 288 N ASP A 21 11.463 -6.699 -11.828 1.00 0.00 N ATOM 289 CA ASP A 21 11.806 -7.707 -10.832 1.00 0.00 C ATOM 290 C ASP A 21 10.550 -8.382 -10.288 1.00 0.00 C ATOM 291 O ASP A 21 10.039 -8.007 -9.234 1.00 0.00 O ATOM 292 CB ASP A 21 12.597 -7.075 -9.686 1.00 0.00 C ATOM 293 CG ASP A 21 14.092 -7.085 -9.941 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.686 -8.183 -9.942 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.668 -5.994 -10.137 1.00 0.00 O ATOM 0 H ASP A 21 11.083 -5.835 -11.440 1.00 0.00 H new ATOM 0 HA ASP A 21 12.424 -8.464 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.263 -6.048 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.385 -7.613 -8.762 1.00 0.00 H new ATOM 300 N ASN A 22 10.059 -9.380 -11.015 1.00 0.00 N ATOM 301 CA ASN A 22 8.862 -10.107 -10.606 1.00 0.00 C ATOM 302 C ASN A 22 9.036 -10.701 -9.211 1.00 0.00 C ATOM 303 O ASN A 22 8.062 -11.076 -8.558 1.00 0.00 O ATOM 304 CB ASN A 22 8.546 -11.218 -11.610 1.00 0.00 C ATOM 305 CG ASN A 22 7.099 -11.664 -11.542 1.00 0.00 C ATOM 306 OD1 ASN A 22 6.805 -12.804 -11.183 1.00 0.00 O ATOM 307 ND2 ASN A 22 6.185 -10.764 -11.887 1.00 0.00 N ATOM 0 H ASN A 22 10.471 -9.704 -11.890 1.00 0.00 H new ATOM 0 HA ASN A 22 8.031 -9.403 -10.581 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.768 -10.867 -12.618 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.196 -12.072 -11.419 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.195 -11.007 -11.860 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.473 -9.830 -12.179 1.00 0.00 H new ATOM 314 N LEU A 23 10.283 -10.783 -8.761 1.00 0.00 N ATOM 315 CA LEU A 23 10.587 -11.330 -7.443 1.00 0.00 C ATOM 316 C LEU A 23 9.698 -10.701 -6.375 1.00 0.00 C ATOM 317 O LEU A 23 9.956 -9.589 -5.915 1.00 0.00 O ATOM 318 CB LEU A 23 12.059 -11.098 -7.099 1.00 0.00 C ATOM 319 CG LEU A 23 12.681 -12.085 -6.110 1.00 0.00 C ATOM 320 CD1 LEU A 23 14.183 -11.871 -6.016 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.033 -11.946 -4.740 1.00 0.00 C ATOM 0 H LEU A 23 11.100 -10.478 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 23 10.391 -12.402 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.636 -11.128 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.162 -10.092 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 23 12.502 -13.097 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.608 -12.582 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.634 -12.022 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.385 -10.855 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 23 12.488 -12.656 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.181 -10.932 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.965 -12.151 -4.820 1.00 0.00 H new ATOM 333 N ARG A 24 8.652 -11.422 -5.983 1.00 0.00 N ATOM 334 CA ARG A 24 7.726 -10.935 -4.968 1.00 0.00 C ATOM 335 C ARG A 24 8.477 -10.480 -3.720 1.00 0.00 C ATOM 336 O ARG A 24 9.540 -11.008 -3.395 1.00 0.00 O ATOM 337 CB ARG A 24 6.719 -12.027 -4.600 1.00 0.00 C ATOM 338 CG ARG A 24 5.423 -11.488 -4.016 1.00 0.00 C ATOM 339 CD ARG A 24 4.419 -12.603 -3.766 1.00 0.00 C ATOM 340 NE ARG A 24 3.605 -12.880 -4.946 1.00 0.00 N ATOM 341 CZ ARG A 24 2.669 -12.057 -5.404 1.00 0.00 C ATOM 342 NH1 ARG A 24 2.429 -10.910 -4.783 1.00 0.00 N ATOM 343 NH2 ARG A 24 1.969 -12.380 -6.484 1.00 0.00 N ATOM 0 H ARG A 24 8.425 -12.345 -6.353 1.00 0.00 H new ATOM 0 HA ARG A 24 7.191 -10.080 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.490 -12.614 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.178 -12.705 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.632 -10.969 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.992 -10.755 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.949 -13.508 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.770 -12.327 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 24 3.764 -13.754 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.964 -10.658 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.710 -10.279 -5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.149 -13.262 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.250 -11.747 -6.834 1.00 0.00 H new ATOM 357 N LYS A 25 7.917 -9.495 -3.026 1.00 0.00 N ATOM 358 CA LYS A 25 8.532 -8.968 -1.813 1.00 0.00 C ATOM 359 C LYS A 25 7.483 -8.720 -0.734 1.00 0.00 C ATOM 360 O LYS A 25 6.437 -8.127 -0.997 1.00 0.00 O ATOM 361 CB LYS A 25 9.281 -7.668 -2.120 1.00 0.00 C ATOM 362 CG LYS A 25 10.368 -7.825 -3.169 1.00 0.00 C ATOM 363 CD LYS A 25 10.607 -6.528 -3.923 1.00 0.00 C ATOM 364 CE LYS A 25 9.719 -6.428 -5.154 1.00 0.00 C ATOM 365 NZ LYS A 25 9.965 -5.171 -5.914 1.00 0.00 N ATOM 0 H LYS A 25 7.038 -9.045 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 25 9.240 -9.710 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.566 -6.918 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.727 -7.290 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.294 -8.144 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.086 -8.609 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.414 -5.682 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.653 -6.467 -4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.899 -7.286 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.673 -6.471 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.891 -5.362 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.259 -4.458 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.918 -4.815 -5.697 1.00 0.00 H new ATOM 379 N ARG A 26 7.770 -9.177 0.480 1.00 0.00 N ATOM 380 CA ARG A 26 6.851 -9.004 1.599 1.00 0.00 C ATOM 381 C ARG A 26 7.439 -8.062 2.645 1.00 0.00 C ATOM 382 O ARG A 26 8.497 -8.333 3.216 1.00 0.00 O ATOM 383 CB ARG A 26 6.532 -10.357 2.237 1.00 0.00 C ATOM 384 CG ARG A 26 5.505 -10.276 3.355 1.00 0.00 C ATOM 385 CD ARG A 26 5.696 -11.393 4.369 1.00 0.00 C ATOM 386 NE ARG A 26 5.012 -12.619 3.967 1.00 0.00 N ATOM 387 CZ ARG A 26 4.970 -13.716 4.715 1.00 0.00 C ATOM 388 NH1 ARG A 26 5.568 -13.739 5.898 1.00 0.00 N ATOM 389 NH2 ARG A 26 4.328 -14.793 4.280 1.00 0.00 N ATOM 0 H ARG A 26 8.632 -9.670 0.714 1.00 0.00 H new ATOM 0 HA ARG A 26 5.930 -8.564 1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.165 -11.035 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.452 -10.790 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.586 -9.311 3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.501 -10.333 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.760 -11.595 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.320 -11.070 5.340 1.00 0.00 H new ATOM 0 HE ARG A 26 4.541 -12.634 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.062 -12.913 6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.534 -14.583 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.866 -14.779 3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.296 -15.635 4.855 1.00 0.00 H new ATOM 403 N HIS A 27 6.747 -6.954 2.892 1.00 0.00 N ATOM 404 CA HIS A 27 7.201 -5.972 3.870 1.00 0.00 C ATOM 405 C HIS A 27 6.015 -5.318 4.574 1.00 0.00 C ATOM 406 O HIS A 27 4.893 -5.337 4.067 1.00 0.00 O ATOM 407 CB HIS A 27 8.058 -4.903 3.190 1.00 0.00 C ATOM 408 CG HIS A 27 9.128 -5.465 2.306 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.293 -5.087 0.991 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.091 -6.383 2.557 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.311 -5.748 0.470 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.813 -6.541 1.399 1.00 0.00 N ATOM 0 H HIS A 27 5.871 -6.714 2.429 1.00 0.00 H new ATOM 0 HA HIS A 27 7.803 -6.490 4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.413 -4.254 2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.521 -4.279 3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.260 -6.895 3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.672 -5.656 -0.544 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.608 -7.169 1.277 1.00 0.00 H new ATOM 421 N TYR A 28 6.272 -4.743 5.743 1.00 0.00 N ATOM 422 CA TYR A 28 5.225 -4.087 6.518 1.00 0.00 C ATOM 423 C TYR A 28 4.828 -2.758 5.882 1.00 0.00 C ATOM 424 O TYR A 28 5.413 -1.717 6.177 1.00 0.00 O ATOM 425 CB TYR A 28 5.694 -3.857 7.955 1.00 0.00 C ATOM 426 CG TYR A 28 4.572 -3.873 8.968 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.883 -5.045 9.253 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.201 -2.715 9.642 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.856 -5.064 10.177 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.177 -2.725 10.569 1.00 0.00 C ATOM 431 CZ TYR A 28 2.507 -3.902 10.833 1.00 0.00 C ATOM 432 OH TYR A 28 1.486 -3.917 11.755 1.00 0.00 O ATOM 0 H TYR A 28 7.196 -4.718 6.175 1.00 0.00 H new ATOM 0 HA TYR A 28 4.352 -4.740 6.528 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.421 -4.625 8.218 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.209 -2.898 8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.155 -5.958 8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.722 -1.792 9.437 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.329 -5.984 10.384 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.902 -1.817 11.084 1.00 0.00 H new ATOM 0 HH TYR A 28 1.368 -3.018 12.127 1.00 0.00 H new ATOM 442 N TRP A 29 3.829 -2.804 5.008 1.00 0.00 N ATOM 443 CA TRP A 29 3.352 -1.605 4.329 1.00 0.00 C ATOM 444 C TRP A 29 2.606 -0.693 5.297 1.00 0.00 C ATOM 445 O TRP A 29 1.755 -1.147 6.062 1.00 0.00 O ATOM 446 CB TRP A 29 2.440 -1.983 3.161 1.00 0.00 C ATOM 447 CG TRP A 29 3.191 -2.319 1.907 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.316 -3.086 1.807 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.870 -1.898 0.577 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.714 -3.167 0.494 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.843 -2.447 -0.280 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.854 -1.112 0.027 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.829 -2.233 -1.656 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.841 -0.900 -1.339 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.823 -1.459 -2.168 1.00 0.00 C ATOM 0 H TRP A 29 3.334 -3.658 4.753 1.00 0.00 H new ATOM 0 HA TRP A 29 4.218 -1.067 3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.827 -2.837 3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.759 -1.156 2.958 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.819 -3.559 2.637 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.526 -3.680 0.151 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.092 -0.678 0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.585 -2.663 -2.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.061 -0.293 -1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.785 -1.275 -3.232 1.00 0.00 H new ATOM 466 N ARG A 30 2.929 0.596 5.257 1.00 0.00 N ATOM 467 CA ARG A 30 2.289 1.571 6.132 1.00 0.00 C ATOM 468 C ARG A 30 1.778 2.766 5.332 1.00 0.00 C ATOM 469 O ARG A 30 2.518 3.367 4.552 1.00 0.00 O ATOM 470 CB ARG A 30 3.270 2.045 7.206 1.00 0.00 C ATOM 471 CG ARG A 30 3.890 0.912 8.008 1.00 0.00 C ATOM 472 CD ARG A 30 4.256 1.360 9.414 1.00 0.00 C ATOM 473 NE ARG A 30 5.361 0.580 9.966 1.00 0.00 N ATOM 474 CZ ARG A 30 5.907 0.818 11.153 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.452 1.808 11.909 1.00 0.00 N ATOM 476 NH2 ARG A 30 6.909 0.065 11.587 1.00 0.00 N ATOM 0 H ARG A 30 3.630 0.989 4.628 1.00 0.00 H new ATOM 0 HA ARG A 30 1.439 1.087 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.065 2.620 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.752 2.720 7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.191 0.078 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.782 0.549 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.529 2.415 9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.385 1.265 10.063 1.00 0.00 H new ATOM 0 HE ARG A 30 5.733 -0.189 9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.681 2.389 11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.873 1.989 12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.261 -0.698 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.327 0.249 12.499 1.00 0.00 H new ATOM 490 N LEU A 31 0.509 3.104 5.530 1.00 0.00 N ATOM 491 CA LEU A 31 -0.102 4.227 4.827 1.00 0.00 C ATOM 492 C LEU A 31 -0.755 5.194 5.809 1.00 0.00 C ATOM 493 O LEU A 31 -1.221 4.792 6.875 1.00 0.00 O ATOM 494 CB LEU A 31 -1.141 3.722 3.824 1.00 0.00 C ATOM 495 CG LEU A 31 -2.131 4.763 3.302 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.563 5.478 2.086 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.463 4.110 2.964 1.00 0.00 C ATOM 0 H LEU A 31 -0.117 2.617 6.171 1.00 0.00 H new ATOM 0 HA LEU A 31 0.684 4.759 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.615 3.291 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.706 2.915 4.291 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.299 5.501 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.282 6.215 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.635 5.979 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.365 4.753 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.155 4.866 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.312 3.350 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.878 3.645 3.858 1.00 0.00 H new ATOM 509 N ASP A 32 -0.787 6.470 5.442 1.00 0.00 N ATOM 510 CA ASP A 32 -1.387 7.495 6.289 1.00 0.00 C ATOM 511 C ASP A 32 -1.900 8.662 5.451 1.00 0.00 C ATOM 512 O ASP A 32 -1.769 8.664 4.227 1.00 0.00 O ATOM 513 CB ASP A 32 -0.370 7.997 7.316 1.00 0.00 C ATOM 514 CG ASP A 32 0.603 6.916 7.744 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.585 6.678 7.011 1.00 0.00 O ATOM 516 OD2 ASP A 32 0.381 6.307 8.811 1.00 0.00 O ATOM 0 H ASP A 32 -0.405 6.820 4.564 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.232 7.049 6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.185 8.835 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.898 8.374 8.192 1.00 0.00 H new ATOM 521 N SER A 33 -2.484 9.651 6.118 1.00 0.00 N ATOM 522 CA SER A 33 -3.022 10.822 5.434 1.00 0.00 C ATOM 523 C SER A 33 -1.897 11.722 4.932 1.00 0.00 C ATOM 524 O SER A 33 -2.143 12.761 4.320 1.00 0.00 O ATOM 525 CB SER A 33 -3.941 11.609 6.370 1.00 0.00 C ATOM 526 OG SER A 33 -4.255 12.879 5.827 1.00 0.00 O ATOM 0 H SER A 33 -2.597 9.666 7.132 1.00 0.00 H new ATOM 0 HA SER A 33 -3.599 10.477 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.859 11.046 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.458 11.734 7.339 1.00 0.00 H new ATOM 0 HG SER A 33 -3.778 13.000 4.980 1.00 0.00 H new ATOM 532 N LYS A 34 -0.660 11.315 5.196 1.00 0.00 N ATOM 533 CA LYS A 34 0.505 12.082 4.771 1.00 0.00 C ATOM 534 C LYS A 34 1.157 11.448 3.547 1.00 0.00 C ATOM 535 O LYS A 34 1.121 12.009 2.452 1.00 0.00 O ATOM 536 CB LYS A 34 1.521 12.178 5.912 1.00 0.00 C ATOM 537 CG LYS A 34 2.496 13.333 5.762 1.00 0.00 C ATOM 538 CD LYS A 34 3.580 13.290 6.826 1.00 0.00 C ATOM 539 CE LYS A 34 3.105 13.908 8.132 1.00 0.00 C ATOM 540 NZ LYS A 34 4.159 13.865 9.182 1.00 0.00 N ATOM 0 H LYS A 34 -0.438 10.458 5.703 1.00 0.00 H new ATOM 0 HA LYS A 34 0.172 13.085 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.986 12.285 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.082 11.245 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.954 13.298 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.956 14.277 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.880 12.257 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.462 13.823 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.808 14.942 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.220 13.378 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.796 14.296 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.424 12.877 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.994 14.393 8.857 1.00 0.00 H new ATOM 554 N CYS A 35 1.752 10.276 3.740 1.00 0.00 N ATOM 555 CA CYS A 35 2.412 9.565 2.651 1.00 0.00 C ATOM 556 C CYS A 35 2.572 8.085 2.985 1.00 0.00 C ATOM 557 O CYS A 35 2.558 7.697 4.154 1.00 0.00 O ATOM 558 CB CYS A 35 3.780 10.186 2.363 1.00 0.00 C ATOM 559 SG CYS A 35 4.936 9.073 1.531 1.00 0.00 S ATOM 0 H CYS A 35 1.791 9.798 4.640 1.00 0.00 H new ATOM 0 HA CYS A 35 1.787 9.653 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.641 11.075 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.223 10.516 3.303 1.00 0.00 H new ATOM 0 HG CYS A 35 6.063 9.689 1.329 1.00 0.00 H new ATOM 565 N LEU A 36 2.724 7.264 1.953 1.00 0.00 N ATOM 566 CA LEU A 36 2.885 5.826 2.136 1.00 0.00 C ATOM 567 C LEU A 36 4.357 5.458 2.292 1.00 0.00 C ATOM 568 O LEU A 36 5.216 5.969 1.573 1.00 0.00 O ATOM 569 CB LEU A 36 2.282 5.069 0.951 1.00 0.00 C ATOM 570 CG LEU A 36 2.581 3.571 0.889 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.905 2.843 2.041 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.134 2.993 -0.446 1.00 0.00 C ATOM 0 H LEU A 36 2.739 7.569 0.980 1.00 0.00 H new ATOM 0 HA LEU A 36 2.359 5.541 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.200 5.203 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.642 5.529 0.031 1.00 0.00 H new ATOM 0 HG LEU A 36 3.658 3.431 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.129 1.778 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.274 3.238 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.827 2.991 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.355 1.926 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.062 3.145 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.665 3.494 -1.255 1.00 0.00 H new ATOM 584 N THR A 37 4.643 4.567 3.237 1.00 0.00 N ATOM 585 CA THR A 37 6.011 4.130 3.487 1.00 0.00 C ATOM 586 C THR A 37 6.085 2.615 3.637 1.00 0.00 C ATOM 587 O THR A 37 5.094 1.964 3.969 1.00 0.00 O ATOM 588 CB THR A 37 6.588 4.789 4.754 1.00 0.00 C ATOM 589 OG1 THR A 37 6.127 6.141 4.856 1.00 0.00 O ATOM 590 CG2 THR A 37 8.109 4.768 4.730 1.00 0.00 C ATOM 0 H THR A 37 3.945 4.134 3.842 1.00 0.00 H new ATOM 0 HA THR A 37 6.604 4.436 2.625 1.00 0.00 H new ATOM 0 HB THR A 37 6.246 4.222 5.620 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.497 6.553 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.494 5.239 5.635 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.458 3.737 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.467 5.314 3.857 1.00 0.00 H new ATOM 598 N LEU A 38 7.266 2.059 3.391 1.00 0.00 N ATOM 599 CA LEU A 38 7.470 0.618 3.499 1.00 0.00 C ATOM 600 C LEU A 38 8.500 0.294 4.577 1.00 0.00 C ATOM 601 O LEU A 38 9.532 0.957 4.684 1.00 0.00 O ATOM 602 CB LEU A 38 7.924 0.045 2.156 1.00 0.00 C ATOM 603 CG LEU A 38 6.811 -0.383 1.199 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.277 0.815 0.430 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.314 -1.453 0.240 1.00 0.00 C ATOM 0 H LEU A 38 8.097 2.583 3.116 1.00 0.00 H new ATOM 0 HA LEU A 38 6.521 0.161 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.540 0.792 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.562 -0.818 2.349 1.00 0.00 H new ATOM 0 HG LEU A 38 5.995 -0.804 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.486 0.490 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.878 1.548 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.084 1.266 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.509 -1.746 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.148 -1.058 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.647 -2.322 0.807 1.00 0.00 H new ATOM 617 N PHE A 39 8.214 -0.731 5.372 1.00 0.00 N ATOM 618 CA PHE A 39 9.115 -1.145 6.441 1.00 0.00 C ATOM 619 C PHE A 39 9.551 -2.595 6.254 1.00 0.00 C ATOM 620 O PHE A 39 8.774 -3.521 6.484 1.00 0.00 O ATOM 621 CB PHE A 39 8.438 -0.975 7.803 1.00 0.00 C ATOM 622 CG PHE A 39 8.591 0.402 8.381 1.00 0.00 C ATOM 623 CD1 PHE A 39 8.163 1.516 7.676 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.164 0.584 9.629 1.00 0.00 C ATOM 625 CE1 PHE A 39 8.302 2.785 8.205 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.305 1.851 10.164 1.00 0.00 C ATOM 627 CZ PHE A 39 8.875 2.953 9.450 1.00 0.00 C ATOM 0 H PHE A 39 7.365 -1.291 5.296 1.00 0.00 H new ATOM 0 HA PHE A 39 10.000 -0.510 6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.377 -1.202 7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.855 -1.701 8.500 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.715 1.391 6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.504 -0.274 10.190 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.963 3.644 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.751 1.979 11.139 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.987 3.944 9.865 1.00 0.00 H new ATOM 637 N GLN A 40 10.799 -2.783 5.836 1.00 0.00 N ATOM 638 CA GLN A 40 11.338 -4.120 5.617 1.00 0.00 C ATOM 639 C GLN A 40 10.976 -5.048 6.772 1.00 0.00 C ATOM 640 O GLN A 40 10.684 -6.225 6.566 1.00 0.00 O ATOM 641 CB GLN A 40 12.857 -4.059 5.453 1.00 0.00 C ATOM 642 CG GLN A 40 13.584 -3.558 6.690 1.00 0.00 C ATOM 643 CD GLN A 40 15.092 -3.581 6.531 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.609 -3.598 5.414 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.805 -3.581 7.651 1.00 0.00 N ATOM 0 H GLN A 40 11.455 -2.027 5.642 1.00 0.00 H new ATOM 0 HA GLN A 40 10.897 -4.518 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.227 -5.053 5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.097 -3.408 4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.261 -2.540 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.303 -4.173 7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.334 -3.566 8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.824 -3.595 7.607 1.00 0.00 H new ATOM 654 N ASN A 41 10.999 -4.510 7.987 1.00 0.00 N ATOM 655 CA ASN A 41 10.674 -5.291 9.175 1.00 0.00 C ATOM 656 C ASN A 41 10.031 -4.413 10.245 1.00 0.00 C ATOM 657 O ASN A 41 10.068 -3.186 10.158 1.00 0.00 O ATOM 658 CB ASN A 41 11.934 -5.955 9.734 1.00 0.00 C ATOM 659 CG ASN A 41 11.623 -6.954 10.832 1.00 0.00 C ATOM 660 OD1 ASN A 41 10.564 -7.583 10.832 1.00 0.00 O ATOM 661 ND2 ASN A 41 12.546 -7.105 11.774 1.00 0.00 N ATOM 0 H ASN A 41 11.239 -3.537 8.175 1.00 0.00 H new ATOM 0 HA ASN A 41 9.961 -6.063 8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.464 -6.460 8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.603 -5.188 10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.392 -7.763 12.538 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.409 -6.563 11.734 1.00 0.00 H new ATOM 755 N TYR A 48 12.266 1.848 3.614 1.00 0.00 N ATOM 756 CA TYR A 48 12.609 1.220 2.344 1.00 0.00 C ATOM 757 C TYR A 48 12.330 2.162 1.176 1.00 0.00 C ATOM 758 O TYR A 48 13.247 2.585 0.472 1.00 0.00 O ATOM 759 CB TYR A 48 11.823 -0.080 2.164 1.00 0.00 C ATOM 760 CG TYR A 48 11.934 -0.669 0.776 1.00 0.00 C ATOM 761 CD1 TYR A 48 13.041 -0.410 -0.022 1.00 0.00 C ATOM 762 CD2 TYR A 48 10.932 -1.483 0.263 1.00 0.00 C ATOM 763 CE1 TYR A 48 13.148 -0.945 -1.292 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.031 -2.023 -1.005 1.00 0.00 C ATOM 765 CZ TYR A 48 12.140 -1.751 -1.778 1.00 0.00 C ATOM 766 OH TYR A 48 12.241 -2.287 -3.042 1.00 0.00 O ATOM 0 HA TYR A 48 13.675 0.993 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.178 -0.812 2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.773 0.107 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.832 0.220 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.061 -1.697 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.015 -0.733 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.244 -2.655 -1.389 1.00 0.00 H new ATOM 0 HH TYR A 48 11.448 -2.831 -3.231 1.00 0.00 H new ATOM 776 N LYS A 49 11.057 2.486 0.978 1.00 0.00 N ATOM 777 CA LYS A 49 10.654 3.379 -0.101 1.00 0.00 C ATOM 778 C LYS A 49 9.454 4.225 0.312 1.00 0.00 C ATOM 779 O LYS A 49 8.567 3.754 1.024 1.00 0.00 O ATOM 780 CB LYS A 49 10.315 2.574 -1.358 1.00 0.00 C ATOM 781 CG LYS A 49 10.534 3.342 -2.650 1.00 0.00 C ATOM 782 CD LYS A 49 11.972 3.233 -3.127 1.00 0.00 C ATOM 783 CE LYS A 49 12.370 4.432 -3.974 1.00 0.00 C ATOM 784 NZ LYS A 49 13.678 4.220 -4.655 1.00 0.00 N ATOM 0 H LYS A 49 10.286 2.143 1.551 1.00 0.00 H new ATOM 0 HA LYS A 49 11.489 4.045 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.923 1.670 -1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.274 2.257 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.864 2.959 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.279 4.391 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.637 3.157 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.096 2.319 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.598 4.622 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.428 5.319 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.914 5.059 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.419 4.064 -3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.615 3.389 -5.277 1.00 0.00 H new ATOM 798 N GLU A 50 9.432 5.475 -0.140 1.00 0.00 N ATOM 799 CA GLU A 50 8.340 6.385 0.183 1.00 0.00 C ATOM 800 C GLU A 50 7.478 6.659 -1.046 1.00 0.00 C ATOM 801 O GLU A 50 7.970 7.142 -2.067 1.00 0.00 O ATOM 802 CB GLU A 50 8.890 7.701 0.738 1.00 0.00 C ATOM 803 CG GLU A 50 9.191 7.655 2.226 1.00 0.00 C ATOM 804 CD GLU A 50 9.212 9.033 2.860 1.00 0.00 C ATOM 805 OE1 GLU A 50 10.200 9.767 2.649 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.241 9.376 3.566 1.00 0.00 O ATOM 0 H GLU A 50 10.158 5.880 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 50 7.719 5.910 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.801 7.960 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.169 8.496 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.442 7.041 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.156 7.172 2.383 1.00 0.00 H new ATOM 813 N ILE A 51 6.191 6.347 -0.941 1.00 0.00 N ATOM 814 CA ILE A 51 5.261 6.560 -2.043 1.00 0.00 C ATOM 815 C ILE A 51 4.226 7.622 -1.691 1.00 0.00 C ATOM 816 O ILE A 51 3.186 7.338 -1.096 1.00 0.00 O ATOM 817 CB ILE A 51 4.534 5.257 -2.426 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.546 4.140 -2.687 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.656 5.480 -3.648 1.00 0.00 C ATOM 820 CD1 ILE A 51 4.970 2.751 -2.519 1.00 0.00 C ATOM 0 H ILE A 51 5.768 5.946 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 51 5.852 6.900 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 51 3.896 4.956 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.935 4.243 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.390 4.259 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.149 4.550 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.915 6.249 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.274 5.801 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.743 2.010 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.606 2.629 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.145 2.612 -3.217 1.00 0.00 H new ATOM 832 N PRO A 52 4.514 8.877 -2.067 1.00 0.00 N ATOM 833 CA PRO A 52 3.619 10.008 -1.804 1.00 0.00 C ATOM 834 C PRO A 52 2.345 9.945 -2.639 1.00 0.00 C ATOM 835 O PRO A 52 2.392 9.700 -3.846 1.00 0.00 O ATOM 836 CB PRO A 52 4.459 11.225 -2.200 1.00 0.00 C ATOM 837 CG PRO A 52 5.437 10.702 -3.195 1.00 0.00 C ATOM 838 CD PRO A 52 5.735 9.289 -2.780 1.00 0.00 C ATOM 0 HA PRO A 52 3.279 10.027 -0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.839 12.011 -2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.965 11.655 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.023 10.733 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.345 11.306 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.932 8.651 -3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.613 9.236 -2.136 1.00 0.00 H new ATOM 846 N LEU A 53 1.207 10.170 -1.992 1.00 0.00 N ATOM 847 CA LEU A 53 -0.082 10.140 -2.676 1.00 0.00 C ATOM 848 C LEU A 53 0.020 10.777 -4.058 1.00 0.00 C ATOM 849 O LEU A 53 -0.679 10.379 -4.989 1.00 0.00 O ATOM 850 CB LEU A 53 -1.140 10.865 -1.843 1.00 0.00 C ATOM 851 CG LEU A 53 -1.346 10.347 -0.420 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.168 11.334 0.394 1.00 0.00 C ATOM 853 CD2 LEU A 53 -2.018 8.982 -0.441 1.00 0.00 C ATOM 0 H LEU A 53 1.150 10.375 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.377 9.098 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.870 11.920 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.092 10.806 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.369 10.242 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.304 10.948 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.648 12.291 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.142 11.471 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.157 8.629 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.988 9.061 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.392 8.276 -0.987 1.00 0.00 H new ATOM 865 N SER A 54 0.897 11.768 -4.183 1.00 0.00 N ATOM 866 CA SER A 54 1.090 12.462 -5.451 1.00 0.00 C ATOM 867 C SER A 54 1.554 11.494 -6.535 1.00 0.00 C ATOM 868 O SER A 54 0.933 11.385 -7.592 1.00 0.00 O ATOM 869 CB SER A 54 2.110 13.591 -5.289 1.00 0.00 C ATOM 870 OG SER A 54 2.418 14.183 -6.539 1.00 0.00 O ATOM 0 H SER A 54 1.485 12.108 -3.422 1.00 0.00 H new ATOM 0 HA SER A 54 0.133 12.887 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.715 14.348 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.020 13.201 -4.834 1.00 0.00 H new ATOM 0 HG SER A 54 3.071 14.902 -6.408 1.00 0.00 H new ATOM 876 N GLU A 55 2.650 10.792 -6.264 1.00 0.00 N ATOM 877 CA GLU A 55 3.199 9.834 -7.216 1.00 0.00 C ATOM 878 C GLU A 55 2.100 8.936 -7.778 1.00 0.00 C ATOM 879 O GLU A 55 1.898 8.869 -8.991 1.00 0.00 O ATOM 880 CB GLU A 55 4.279 8.980 -6.550 1.00 0.00 C ATOM 881 CG GLU A 55 5.312 8.436 -7.523 1.00 0.00 C ATOM 882 CD GLU A 55 6.407 9.438 -7.833 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.516 10.442 -7.097 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.153 9.220 -8.809 1.00 0.00 O ATOM 0 H GLU A 55 3.175 10.869 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 55 3.645 10.393 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.786 9.577 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.804 8.146 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.758 7.533 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.816 8.147 -8.450 1.00 0.00 H new ATOM 891 N ILE A 56 1.394 8.247 -6.887 1.00 0.00 N ATOM 892 CA ILE A 56 0.316 7.354 -7.294 1.00 0.00 C ATOM 893 C ILE A 56 -0.653 8.056 -8.239 1.00 0.00 C ATOM 894 O ILE A 56 -1.589 8.727 -7.802 1.00 0.00 O ATOM 895 CB ILE A 56 -0.465 6.825 -6.076 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.472 6.075 -5.128 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.603 5.922 -6.529 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.140 5.789 -3.774 1.00 0.00 C ATOM 0 H ILE A 56 1.549 8.290 -5.880 1.00 0.00 H new ATOM 0 HA ILE A 56 0.780 6.514 -7.812 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.891 7.673 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.766 5.133 -5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.381 6.660 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.146 5.556 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.282 6.486 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.198 5.077 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.581 5.255 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.409 6.728 -3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.033 5.177 -3.900 1.00 0.00 H new ATOM 910 N LEU A 57 -0.423 7.896 -9.538 1.00 0.00 N ATOM 911 CA LEU A 57 -1.277 8.513 -10.547 1.00 0.00 C ATOM 912 C LEU A 57 -2.689 7.939 -10.491 1.00 0.00 C ATOM 913 O LEU A 57 -3.664 8.676 -10.342 1.00 0.00 O ATOM 914 CB LEU A 57 -0.685 8.303 -11.942 1.00 0.00 C ATOM 915 CG LEU A 57 0.737 8.826 -12.153 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.394 8.125 -13.332 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.725 10.333 -12.365 1.00 0.00 C ATOM 0 H LEU A 57 0.347 7.345 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.330 9.581 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.695 7.235 -12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.339 8.784 -12.669 1.00 0.00 H new ATOM 0 HG LEU A 57 1.320 8.610 -11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.405 8.510 -13.467 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.437 7.053 -13.140 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.812 8.309 -14.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.745 10.688 -12.513 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.126 10.572 -13.244 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.295 10.820 -11.490 1.00 0.00 H new ATOM 929 N ARG A 58 -2.791 6.619 -10.608 1.00 0.00 N ATOM 930 CA ARG A 58 -4.084 5.946 -10.569 1.00 0.00 C ATOM 931 C ARG A 58 -3.907 4.433 -10.479 1.00 0.00 C ATOM 932 O ARG A 58 -2.784 3.933 -10.414 1.00 0.00 O ATOM 933 CB ARG A 58 -4.905 6.301 -11.810 1.00 0.00 C ATOM 934 CG ARG A 58 -4.329 5.745 -13.101 1.00 0.00 C ATOM 935 CD ARG A 58 -5.071 6.276 -14.318 1.00 0.00 C ATOM 936 NE ARG A 58 -4.997 5.356 -15.449 1.00 0.00 N ATOM 937 CZ ARG A 58 -5.635 4.192 -15.493 1.00 0.00 C ATOM 938 NH1 ARG A 58 -6.391 3.808 -14.473 1.00 0.00 N ATOM 939 NH2 ARG A 58 -5.519 3.410 -16.558 1.00 0.00 N ATOM 0 H ARG A 58 -1.994 5.994 -10.731 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.616 6.286 -9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.920 5.925 -11.683 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.975 7.386 -11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.274 6.009 -13.173 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.385 4.657 -13.086 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.116 6.448 -14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.651 7.240 -14.607 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.424 5.622 -16.250 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.483 4.407 -13.653 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.880 2.914 -14.509 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.939 3.702 -17.345 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.010 2.516 -16.590 1.00 0.00 H new ATOM 953 N ILE A 59 -5.022 3.712 -10.475 1.00 0.00 N ATOM 954 CA ILE A 59 -4.990 2.257 -10.394 1.00 0.00 C ATOM 955 C ILE A 59 -5.354 1.623 -11.732 1.00 0.00 C ATOM 956 O ILE A 59 -6.271 2.076 -12.416 1.00 0.00 O ATOM 957 CB ILE A 59 -5.952 1.732 -9.312 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.625 2.365 -7.957 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.876 0.215 -9.226 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.186 2.174 -7.533 1.00 0.00 C ATOM 0 H ILE A 59 -5.959 4.111 -10.527 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.970 1.979 -10.128 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.970 2.010 -9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.844 3.432 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.279 1.937 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.562 -0.141 -8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.153 -0.218 -10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.859 -0.085 -8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.026 2.648 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.968 1.109 -7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.526 2.627 -8.272 1.00 0.00 H new ATOM 972 N SER A 60 -4.629 0.571 -12.099 1.00 0.00 N ATOM 973 CA SER A 60 -4.873 -0.125 -13.356 1.00 0.00 C ATOM 974 C SER A 60 -6.014 -1.127 -13.210 1.00 0.00 C ATOM 975 O SER A 60 -6.499 -1.375 -12.106 1.00 0.00 O ATOM 976 CB SER A 60 -3.605 -0.844 -13.821 1.00 0.00 C ATOM 977 OG SER A 60 -3.913 -1.883 -14.735 1.00 0.00 O ATOM 0 H SER A 60 -3.867 0.182 -11.543 1.00 0.00 H new ATOM 0 HA SER A 60 -5.156 0.616 -14.103 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.930 -0.129 -14.292 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.081 -1.257 -12.959 1.00 0.00 H new ATOM 0 HG SER A 60 -3.086 -2.325 -15.018 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.546 -10.930 -8.781 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.465 -9.686 -8.024 1.00 0.00 C ATOM 1187 C HIS A 75 -4.829 -9.005 -7.952 1.00 0.00 C ATOM 1188 O HIS A 75 -5.758 -9.378 -8.668 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.445 -8.742 -8.661 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.996 -7.945 -9.803 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -3.699 -8.511 -10.846 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.947 -6.618 -10.061 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -4.056 -7.566 -11.697 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.613 -6.408 -11.244 1.00 0.00 N ATOM 0 HA HIS A 75 -3.143 -9.926 -7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.070 -8.058 -7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.594 -9.325 -9.013 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.473 -5.864 -9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.615 -7.715 -12.609 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.744 -5.504 -11.698 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.941 -8.008 -7.082 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.192 -7.276 -6.915 1.00 0.00 C ATOM 1205 C CYS A 76 -6.114 -5.907 -7.582 1.00 0.00 C ATOM 1206 O CYS A 76 -7.041 -5.491 -8.279 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.517 -7.114 -5.429 1.00 0.00 C ATOM 1208 SG CYS A 76 -7.901 -6.001 -5.093 1.00 0.00 S ATOM 0 H CYS A 76 -4.181 -7.688 -6.481 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.986 -7.849 -7.394 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.743 -8.094 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.632 -6.742 -4.913 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.100 -5.931 -3.810 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.004 -5.210 -7.365 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.807 -3.886 -7.943 1.00 0.00 C ATOM 1216 C PHE A 77 -3.328 -3.626 -8.214 1.00 0.00 C ATOM 1217 O PHE A 77 -2.466 -4.403 -7.806 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.363 -2.810 -7.009 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.587 -2.667 -5.731 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.738 -3.587 -4.706 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.707 -1.611 -5.553 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.025 -3.459 -3.529 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.992 -1.478 -4.378 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.152 -2.402 -3.365 1.00 0.00 C ATOM 0 H PHE A 77 -4.227 -5.540 -6.793 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.345 -3.847 -8.890 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.367 -1.853 -7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.400 -3.047 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.421 -4.414 -4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.579 -0.884 -6.341 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.150 -4.185 -2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.308 -0.651 -4.252 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.595 -2.298 -2.445 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.043 -2.527 -8.907 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.669 -2.166 -9.234 1.00 0.00 C ATOM 1236 C GLU A 78 -1.443 -0.668 -9.051 1.00 0.00 C ATOM 1237 O GLU A 78 -2.271 0.150 -9.454 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.340 -2.571 -10.672 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.763 -3.989 -11.017 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.576 -4.312 -12.486 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.728 -3.662 -13.133 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.276 -5.215 -12.990 1.00 0.00 O ATOM 0 H GLU A 78 -3.745 -1.872 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.007 -2.702 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.829 -1.878 -11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.266 -2.472 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.185 -4.693 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.810 -4.127 -10.749 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.316 -0.315 -8.441 1.00 0.00 N ATOM 1250 CA ILE A 79 0.019 1.083 -8.205 1.00 0.00 C ATOM 1251 C ILE A 79 0.913 1.628 -9.314 1.00 0.00 C ATOM 1252 O ILE A 79 2.110 1.344 -9.356 1.00 0.00 O ATOM 1253 CB ILE A 79 0.728 1.272 -6.851 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.105 0.656 -5.725 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.977 2.749 -6.585 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.555 0.746 -4.366 1.00 0.00 C ATOM 0 H ILE A 79 0.380 -0.979 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.921 1.635 -8.194 1.00 0.00 H new ATOM 0 HB ILE A 79 1.691 0.762 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.072 1.157 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.298 -0.391 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.479 2.866 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.605 3.160 -7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.026 3.280 -6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.092 0.290 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.510 0.221 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.723 1.793 -4.112 1.00 0.00 H new ATOM 1268 N ILE A 80 0.323 2.414 -10.209 1.00 0.00 N ATOM 1269 CA ILE A 80 1.067 3.002 -11.316 1.00 0.00 C ATOM 1270 C ILE A 80 1.709 4.323 -10.908 1.00 0.00 C ATOM 1271 O ILE A 80 1.031 5.236 -10.434 1.00 0.00 O ATOM 1272 CB ILE A 80 0.161 3.241 -12.539 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.288 1.906 -13.137 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.888 4.076 -13.581 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.573 1.378 -12.539 1.00 0.00 C ATOM 0 H ILE A 80 -0.667 2.658 -10.189 1.00 0.00 H new ATOM 0 HA ILE A 80 1.847 2.290 -11.585 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.724 3.789 -12.216 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.419 2.025 -14.213 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.501 1.168 -12.992 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.235 4.236 -14.439 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.163 5.038 -13.149 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.788 3.553 -13.903 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.831 0.429 -13.010 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.441 1.227 -11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.375 2.097 -12.708 1.00 0.00 H new ATOM 1287 N THR A 81 3.022 4.421 -11.096 1.00 0.00 N ATOM 1288 CA THR A 81 3.756 5.630 -10.748 1.00 0.00 C ATOM 1289 C THR A 81 4.670 6.065 -11.887 1.00 0.00 C ATOM 1290 O THR A 81 5.021 5.265 -12.754 1.00 0.00 O ATOM 1291 CB THR A 81 4.601 5.428 -9.476 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.181 4.119 -9.476 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.751 5.612 -8.227 1.00 0.00 C ATOM 0 H THR A 81 3.598 3.676 -11.488 1.00 0.00 H new ATOM 0 HA THR A 81 3.015 6.407 -10.563 1.00 0.00 H new ATOM 0 HB THR A 81 5.394 6.176 -9.470 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.213 3.775 -10.393 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.369 5.465 -7.341 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.335 6.619 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.940 4.884 -8.229 1.00 0.00 H new ATOM 1301 N ASP A 82 5.053 7.338 -11.879 1.00 0.00 N ATOM 1302 CA ASP A 82 5.928 7.879 -12.912 1.00 0.00 C ATOM 1303 C ASP A 82 7.200 7.045 -13.039 1.00 0.00 C ATOM 1304 O ASP A 82 7.837 7.020 -14.093 1.00 0.00 O ATOM 1305 CB ASP A 82 6.286 9.332 -12.597 1.00 0.00 C ATOM 1306 CG ASP A 82 5.107 10.269 -12.771 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.024 9.966 -12.230 1.00 0.00 O ATOM 1308 OD2 ASP A 82 5.268 11.306 -13.449 1.00 0.00 O ATOM 0 H ASP A 82 4.771 8.014 -11.169 1.00 0.00 H new ATOM 0 HA ASP A 82 5.394 7.842 -13.862 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.652 9.399 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.100 9.652 -13.248 1.00 0.00 H new ATOM 1313 N THR A 83 7.565 6.364 -11.957 1.00 0.00 N ATOM 1314 CA THR A 83 8.761 5.531 -11.946 1.00 0.00 C ATOM 1315 C THR A 83 8.507 4.195 -12.635 1.00 0.00 C ATOM 1316 O THR A 83 9.041 3.930 -13.712 1.00 0.00 O ATOM 1317 CB THR A 83 9.250 5.269 -10.509 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.175 4.760 -9.711 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.794 6.544 -9.882 1.00 0.00 C ATOM 0 H THR A 83 7.049 6.373 -11.077 1.00 0.00 H new ATOM 0 HA THR A 83 9.531 6.077 -12.490 1.00 0.00 H new ATOM 0 HB THR A 83 10.052 4.532 -10.550 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.490 3.992 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.133 6.335 -8.868 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.630 6.913 -10.475 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.008 7.299 -9.853 1.00 0.00 H new ATOM 1327 N MET A 84 7.687 3.357 -12.008 1.00 0.00 N ATOM 1328 CA MET A 84 7.361 2.049 -12.563 1.00 0.00 C ATOM 1329 C MET A 84 6.025 1.547 -12.025 1.00 0.00 C ATOM 1330 O MET A 84 5.462 2.127 -11.097 1.00 0.00 O ATOM 1331 CB MET A 84 8.466 1.043 -12.236 1.00 0.00 C ATOM 1332 CG MET A 84 9.551 0.964 -13.299 1.00 0.00 C ATOM 1333 SD MET A 84 10.794 -0.289 -12.931 1.00 0.00 S ATOM 1334 CE MET A 84 10.896 -0.152 -11.148 1.00 0.00 C ATOM 0 H MET A 84 7.237 3.561 -11.116 1.00 0.00 H new ATOM 0 HA MET A 84 7.281 2.151 -13.645 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.921 1.313 -11.283 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.021 0.056 -12.108 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.094 0.744 -14.264 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.036 1.936 -13.390 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.785 -0.674 -10.793 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.956 0.899 -10.867 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.009 -0.598 -10.697 1.00 0.00 H new ATOM 1344 N VAL A 85 5.523 0.466 -12.613 1.00 0.00 N ATOM 1345 CA VAL A 85 4.254 -0.114 -12.192 1.00 0.00 C ATOM 1346 C VAL A 85 4.461 -1.153 -11.096 1.00 0.00 C ATOM 1347 O VAL A 85 5.321 -2.027 -11.210 1.00 0.00 O ATOM 1348 CB VAL A 85 3.516 -0.770 -13.374 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.203 -1.383 -12.911 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.279 0.244 -14.483 1.00 0.00 C ATOM 0 H VAL A 85 5.976 -0.026 -13.383 1.00 0.00 H new ATOM 0 HA VAL A 85 3.647 0.703 -11.803 1.00 0.00 H new ATOM 0 HB VAL A 85 4.142 -1.569 -13.771 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.696 -1.842 -13.760 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.403 -2.142 -12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.568 -0.605 -12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.757 -0.237 -15.310 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.674 1.066 -14.101 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.236 0.630 -14.834 1.00 0.00 H new ATOM 1360 N TYR A 86 3.668 -1.053 -10.036 1.00 0.00 N ATOM 1361 CA TYR A 86 3.765 -1.984 -8.917 1.00 0.00 C ATOM 1362 C TYR A 86 2.497 -2.823 -8.795 1.00 0.00 C ATOM 1363 O TYR A 86 1.384 -2.300 -8.855 1.00 0.00 O ATOM 1364 CB TYR A 86 4.015 -1.223 -7.614 1.00 0.00 C ATOM 1365 CG TYR A 86 5.141 -0.218 -7.705 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.267 -0.476 -8.477 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.079 0.988 -7.019 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.299 0.438 -8.562 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.105 1.910 -7.100 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.213 1.630 -7.873 1.00 0.00 C ATOM 1371 OH TYR A 86 8.238 2.544 -7.955 1.00 0.00 O ATOM 0 H TYR A 86 2.950 -0.337 -9.927 1.00 0.00 H new ATOM 0 HA TYR A 86 4.604 -2.653 -9.105 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.100 -0.706 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.241 -1.938 -6.823 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.336 -1.407 -9.020 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.214 1.209 -6.412 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.169 0.221 -9.165 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.040 2.844 -6.562 1.00 0.00 H new ATOM 0 HH TYR A 86 8.020 3.330 -7.412 1.00 0.00 H new ATOM 1381 N PHE A 87 2.674 -4.129 -8.623 1.00 0.00 N ATOM 1382 CA PHE A 87 1.545 -5.043 -8.492 1.00 0.00 C ATOM 1383 C PHE A 87 1.359 -5.472 -7.039 1.00 0.00 C ATOM 1384 O PHE A 87 2.182 -6.200 -6.485 1.00 0.00 O ATOM 1385 CB PHE A 87 1.753 -6.274 -9.377 1.00 0.00 C ATOM 1386 CG PHE A 87 1.939 -5.943 -10.830 1.00 0.00 C ATOM 1387 CD1 PHE A 87 3.063 -5.256 -11.259 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.990 -6.319 -11.767 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.236 -4.950 -12.596 1.00 0.00 C ATOM 1390 CE2 PHE A 87 1.158 -6.015 -13.105 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.283 -5.331 -13.520 1.00 0.00 C ATOM 0 H PHE A 87 3.588 -4.578 -8.571 1.00 0.00 H new ATOM 0 HA PHE A 87 0.646 -4.519 -8.816 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.626 -6.823 -9.023 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.895 -6.937 -9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.812 -4.956 -10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.109 -6.856 -11.448 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.116 -4.413 -12.918 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.410 -6.312 -13.825 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.418 -5.094 -14.565 1.00 0.00 H new ATOM 1401 N VAL A 88 0.270 -5.015 -6.429 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.026 -5.351 -5.041 1.00 0.00 C ATOM 1403 C VAL A 88 -1.349 -6.100 -4.928 1.00 0.00 C ATOM 1404 O VAL A 88 -2.299 -5.819 -5.658 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.086 -4.090 -4.159 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.179 -4.471 -2.689 1.00 0.00 C ATOM 1407 CG2 VAL A 88 1.125 -3.205 -4.413 1.00 0.00 C ATOM 0 H VAL A 88 -0.422 -4.411 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 88 0.783 -5.992 -4.691 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.981 -3.526 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.220 -3.567 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.080 -5.062 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.696 -5.057 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.067 -2.318 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.035 -3.758 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.142 -2.904 -5.460 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.404 -7.057 -4.006 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.616 -7.833 -3.814 1.00 0.00 C ATOM 1419 C GLY A 89 -2.422 -9.300 -4.138 1.00 0.00 C ATOM 1420 O GLY A 89 -1.733 -9.645 -5.097 1.00 0.00 O ATOM 0 H GLY A 89 -0.632 -7.309 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.948 -7.733 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.408 -7.427 -4.444 1.00 0.00 H new ATOM 1424 N GLU A 90 -3.031 -10.168 -3.335 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.919 -11.607 -3.541 1.00 0.00 C ATOM 1426 C GLU A 90 -4.232 -12.308 -3.205 1.00 0.00 C ATOM 1427 O GLU A 90 -4.728 -12.217 -2.083 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.789 -12.181 -2.684 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.787 -13.699 -2.616 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.524 -14.253 -1.986 1.00 0.00 C ATOM 1431 OE1 GLU A 90 -0.254 -13.924 -0.812 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.194 -15.015 -2.666 1.00 0.00 O ATOM 0 H GLU A 90 -3.606 -9.899 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.692 -11.781 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.833 -11.842 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.871 -11.781 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.652 -14.034 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.895 -14.104 -3.622 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.791 -13.008 -4.188 1.00 0.00 N ATOM 1440 CA ASN A 91 -6.047 -13.724 -3.998 1.00 0.00 C ATOM 1441 C ASN A 91 -5.795 -15.209 -3.758 1.00 0.00 C ATOM 1442 O ASN A 91 -5.386 -15.934 -4.664 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.952 -13.539 -5.217 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.234 -12.078 -5.513 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -6.322 -11.252 -5.539 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.502 -11.754 -5.736 1.00 0.00 N ATOM 0 H ASN A 91 -4.394 -13.094 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.543 -13.311 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.483 -13.999 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.894 -14.061 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.753 -10.786 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.225 -12.473 -5.704 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.765 -12.034 1.203 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.116 -12.303 0.746 1.00 0.00 C ATOM 1648 C GLY A 107 -6.709 -11.142 -0.027 1.00 0.00 C ATOM 1649 O GLY A 107 -6.159 -10.040 -0.025 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.112 -13.192 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.749 -12.525 1.605 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.832 -11.388 -0.692 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.499 -10.354 -1.476 1.00 0.00 C ATOM 1655 C LEU A 108 -9.269 -9.397 -0.571 1.00 0.00 C ATOM 1656 O LEU A 108 -9.261 -8.184 -0.784 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.450 -10.990 -2.491 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.457 -10.047 -3.151 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -10.814 -10.538 -4.545 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.707 -9.915 -2.293 1.00 0.00 C ATOM 0 H LEU A 108 -8.300 -12.294 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.736 -9.787 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.853 -11.458 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.002 -11.787 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.998 -9.063 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.532 -9.854 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.914 -10.579 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.253 -11.533 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.412 -9.240 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.169 -10.895 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.437 -9.515 -1.316 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.931 -9.950 0.439 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.703 -9.145 1.379 1.00 0.00 C ATOM 1674 C ASP A 109 -9.858 -8.005 1.940 1.00 0.00 C ATOM 1675 O ASP A 109 -10.211 -6.833 1.806 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.227 -10.017 2.521 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.382 -10.900 2.091 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.122 -11.991 1.542 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -13.546 -10.500 2.304 1.00 0.00 O ATOM 0 H ASP A 109 -9.949 -10.952 0.628 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.549 -8.716 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.417 -10.641 2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.548 -9.379 3.344 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.742 -8.357 2.569 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.847 -7.363 3.151 1.00 0.00 C ATOM 1686 C VAL A 110 -7.354 -6.382 2.093 1.00 0.00 C ATOM 1687 O VAL A 110 -7.292 -5.176 2.332 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.632 -8.029 3.824 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.797 -8.780 2.798 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.790 -6.990 4.550 1.00 0.00 C ATOM 0 H VAL A 110 -8.436 -9.322 2.689 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.420 -6.823 3.905 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.995 -8.748 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.943 -9.244 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.406 -9.551 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.442 -8.084 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.936 -7.478 5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.436 -6.246 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.394 -6.501 5.314 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.004 -6.907 0.924 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.518 -6.077 -0.172 1.00 0.00 C ATOM 1702 C ALA A 111 -7.548 -5.021 -0.558 1.00 0.00 C ATOM 1703 O ALA A 111 -7.222 -3.841 -0.687 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.169 -6.942 -1.374 1.00 0.00 C ATOM 0 H ALA A 111 -7.048 -7.904 0.711 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.618 -5.563 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.808 -6.309 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.393 -7.655 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.057 -7.482 -1.703 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.792 -5.453 -0.742 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.868 -4.543 -1.116 1.00 0.00 C ATOM 1712 C GLN A 112 -9.863 -3.301 -0.231 1.00 0.00 C ATOM 1713 O GLN A 112 -10.111 -2.191 -0.701 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.220 -5.251 -1.014 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.486 -6.223 -2.153 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.097 -5.548 -3.365 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -12.622 -4.438 -3.273 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.032 -6.216 -4.511 1.00 0.00 N ATOM 0 H GLN A 112 -9.079 -6.426 -0.638 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.705 -4.232 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.268 -5.791 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.012 -4.502 -0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.551 -6.703 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.154 -7.011 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.588 -7.134 -4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.426 -5.811 -5.360 1.00 0.00 H new ATOM 1727 N SER A 113 -9.579 -3.497 1.053 1.00 0.00 N ATOM 1728 CA SER A 113 -9.546 -2.393 2.005 1.00 0.00 C ATOM 1729 C SER A 113 -8.411 -1.428 1.678 1.00 0.00 C ATOM 1730 O SER A 113 -8.617 -0.218 1.584 1.00 0.00 O ATOM 1731 CB SER A 113 -9.384 -2.925 3.430 1.00 0.00 C ATOM 1732 OG SER A 113 -9.639 -1.910 4.386 1.00 0.00 O ATOM 0 H SER A 113 -9.369 -4.409 1.457 1.00 0.00 H new ATOM 0 HA SER A 113 -10.491 -1.854 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.067 -3.759 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.373 -3.310 3.565 1.00 0.00 H new ATOM 0 HG SER A 113 -9.530 -2.276 5.289 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.211 -1.972 1.507 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.042 -1.160 1.191 1.00 0.00 C ATOM 1740 C TRP A 114 -6.272 -0.343 -0.075 1.00 0.00 C ATOM 1741 O TRP A 114 -6.174 0.883 -0.059 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.809 -2.050 1.022 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.112 -2.351 2.314 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.340 -3.414 3.140 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.074 -1.579 2.928 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.507 -3.350 4.231 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.720 -2.234 4.124 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.408 -0.400 2.583 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.731 -1.746 4.974 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.427 0.083 3.429 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.096 -0.590 4.612 1.00 0.00 C ATOM 0 H TRP A 114 -7.023 -2.972 1.582 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.874 -0.471 2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.108 -2.987 0.552 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.108 -1.563 0.344 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.068 -4.191 2.962 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.479 -4.024 4.996 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.655 0.125 1.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.474 -2.262 5.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.907 0.995 3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.324 -0.188 5.251 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.579 -1.031 -1.171 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.823 -0.366 -2.446 1.00 0.00 C ATOM 1764 C GLU A 115 -7.780 0.810 -2.272 1.00 0.00 C ATOM 1765 O GLU A 115 -7.572 1.883 -2.839 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.395 -1.357 -3.461 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.668 -0.743 -4.824 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.024 -0.069 -4.899 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.018 -0.687 -4.462 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -9.092 1.076 -5.394 1.00 0.00 O ATOM 0 H GLU A 115 -6.664 -2.047 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.871 0.014 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.698 -2.187 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.322 -1.773 -3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.891 -0.014 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.610 -1.520 -5.587 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.829 0.600 -1.484 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.818 1.641 -1.234 1.00 0.00 C ATOM 1779 C LYS A 116 -9.212 2.786 -0.429 1.00 0.00 C ATOM 1780 O LYS A 116 -9.541 3.952 -0.645 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.022 1.061 -0.488 1.00 0.00 C ATOM 1782 CG LYS A 116 -11.997 0.323 -1.388 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.065 1.255 -1.936 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.157 1.516 -0.910 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.348 2.169 -1.521 1.00 0.00 N ATOM 0 H LYS A 116 -9.016 -0.282 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.148 2.032 -2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.666 0.379 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.549 1.870 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.455 -0.136 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.470 -0.485 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.608 2.200 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.504 0.819 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.455 0.574 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.764 2.149 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.069 2.330 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.069 3.080 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.739 1.554 -2.263 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.323 2.445 0.499 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.669 3.445 1.334 1.00 0.00 C ATOM 1801 C ALA A 117 -6.693 4.287 0.519 1.00 0.00 C ATOM 1802 O ALA A 117 -6.837 5.506 0.426 1.00 0.00 O ATOM 1803 CB ALA A 117 -6.949 2.775 2.494 1.00 0.00 C ATOM 0 H ALA A 117 -8.040 1.484 0.691 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.437 4.109 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.465 3.534 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.668 2.222 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.197 2.088 2.107 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.699 3.629 -0.069 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.700 4.317 -0.877 1.00 0.00 C ATOM 1811 C ILE A 118 -5.358 5.197 -1.934 1.00 0.00 C ATOM 1812 O ILE A 118 -4.879 6.291 -2.231 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.754 3.320 -1.572 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -2.901 2.585 -0.535 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.869 4.043 -2.577 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.242 1.334 -1.073 1.00 0.00 C ATOM 0 H ILE A 118 -5.564 2.620 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.121 4.942 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.354 2.585 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.131 3.261 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.527 2.319 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.206 3.325 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.492 4.525 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.274 4.797 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.654 0.865 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.008 0.639 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.589 1.596 -1.906 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.460 4.712 -2.497 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.186 5.455 -3.520 1.00 0.00 C ATOM 1830 C ARG A 119 -8.056 6.539 -2.891 1.00 0.00 C ATOM 1831 O ARG A 119 -8.118 7.663 -3.388 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.054 4.507 -4.350 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.956 5.220 -5.344 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.991 4.275 -5.934 1.00 0.00 C ATOM 1835 NE ARG A 119 -11.188 4.185 -5.101 1.00 0.00 N ATOM 1836 CZ ARG A 119 -12.333 3.655 -5.515 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -12.436 3.168 -6.744 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -13.378 3.609 -4.698 1.00 0.00 N ATOM 0 H ARG A 119 -6.870 3.808 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.456 5.933 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.408 3.815 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.669 3.909 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.460 6.050 -4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.352 5.646 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.268 4.618 -6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.553 3.283 -6.048 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.142 4.549 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.634 3.200 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.317 2.761 -7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.302 3.981 -3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.257 3.202 -5.017 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.725 6.193 -1.797 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.592 7.136 -1.101 1.00 0.00 C ATOM 1854 C GLN A 120 -8.797 8.335 -0.595 1.00 0.00 C ATOM 1855 O GLN A 120 -9.328 9.439 -0.475 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.298 6.447 0.068 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.169 7.383 0.890 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.346 6.910 2.320 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -11.417 5.710 2.584 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.419 7.854 3.251 1.00 0.00 N ATOM 0 H GLN A 120 -8.684 5.266 -1.373 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.341 7.492 -1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.915 5.636 -0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.549 5.996 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.724 8.378 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -12.147 7.472 0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.355 8.837 2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.539 7.596 4.231 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.521 8.110 -0.298 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.653 9.172 0.193 1.00 0.00 C ATOM 1871 C ALA A 121 -6.303 10.155 -0.919 1.00 0.00 C ATOM 1872 O ALA A 121 -6.035 11.329 -0.662 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.387 8.582 0.796 1.00 0.00 C ATOM 0 H ALA A 121 -7.066 7.202 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.192 9.718 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.748 9.387 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.651 7.926 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.854 8.010 0.036 1.00 0.00 H new ATOM 1879 N LEU A 122 -6.305 9.667 -2.155 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.987 10.503 -3.307 1.00 0.00 C ATOM 1881 C LEU A 122 -6.961 11.672 -3.418 1.00 0.00 C ATOM 1882 O LEU A 122 -6.553 12.814 -3.629 1.00 0.00 O ATOM 1883 CB LEU A 122 -6.023 9.671 -4.591 1.00 0.00 C ATOM 1884 CG LEU A 122 -5.048 8.495 -4.656 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.191 7.756 -5.978 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.618 8.976 -4.463 1.00 0.00 C ATOM 0 H LEU A 122 -6.523 8.697 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.983 10.903 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.034 9.286 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.821 10.332 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.289 7.803 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.489 6.922 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.209 7.377 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.978 8.438 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.938 8.125 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.365 9.689 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.525 9.459 -3.490 1.00 0.00 H new