USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 806 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 105 THR OG1 : rot 129:sc= -0.112 USER MOD Set 1.2: A 109 CYS SG : rot 93:sc= -1.79 USER MOD Set 2.1: A 76 TYR OH : rot -137:sc= 0.0691 USER MOD Set 2.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 38 SER OG : rot 62:sc= -0.584 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -156:sc= 0.00209 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0746 X(o=-0.075,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.782 USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -1.4 (180deg=-4.47!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 97:sc= -2.93! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.182 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -46:sc= -0.17 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 SER OG : rot 95:sc= 0.00214 USER MOD Single : A 56 ASN : amide:sc= -0.345 K(o=-0.34,f=-1.2!) USER MOD Single : A 57 TYR OH : rot -35:sc= 0.306 USER MOD Single : A 61 LYS NZ :NH3+ -114:sc= 1.23 (180deg=-0.328) USER MOD Single : A 62 THR OG1 : rot -57:sc= -0.793 USER MOD Single : A 64 ASN : amide:sc= -0.932 K(o=-0.93,f=-0.06) USER MOD Single : A 66 ASN : amide:sc= -2.78! K(o=-2.8!,f=-1.3) USER MOD Single : A 72 ASN : amide:sc= -3.07! K(o=-3.1!,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.4! X(o=-1.4!,f=-0.92) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.0329 (180deg=-0.309) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 11.867 3.898 7.561 1.00 0.00 N ATOM 93 CA ASP A 10 11.791 5.077 6.707 1.00 0.00 C ATOM 94 C ASP A 10 11.624 4.679 5.243 1.00 0.00 C ATOM 95 O ASP A 10 10.870 5.308 4.501 1.00 0.00 O ATOM 96 CB ASP A 10 13.045 5.937 6.874 1.00 0.00 C ATOM 97 CG ASP A 10 13.102 7.078 5.878 1.00 0.00 C ATOM 98 OD1 ASP A 10 13.603 6.861 4.755 1.00 0.00 O ATOM 99 OD2 ASP A 10 12.643 8.188 6.221 1.00 0.00 O ATOM 0 HA ASP A 10 10.919 5.657 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.073 6.341 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.930 5.311 6.756 1.00 0.00 H new ATOM 104 N ILE A 11 12.333 3.631 4.837 1.00 0.00 N ATOM 105 CA ILE A 11 12.264 3.150 3.463 1.00 0.00 C ATOM 106 C ILE A 11 10.838 2.752 3.091 1.00 0.00 C ATOM 107 O ILE A 11 10.481 2.715 1.913 1.00 0.00 O ATOM 108 CB ILE A 11 13.195 1.944 3.240 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.391 1.692 1.745 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.632 0.707 3.923 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.645 0.909 1.423 1.00 0.00 C ATOM 0 H ILE A 11 12.961 3.099 5.440 1.00 0.00 H new ATOM 0 HA ILE A 11 12.589 3.972 2.825 1.00 0.00 H new ATOM 0 HB ILE A 11 14.166 2.168 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.526 1.152 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.427 2.649 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.301 -0.137 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.541 0.892 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.650 0.478 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.719 0.768 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.518 1.457 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.603 -0.063 1.914 1.00 0.00 H new ATOM 123 N ILE A 12 10.029 2.458 4.103 1.00 0.00 N ATOM 124 CA ILE A 12 8.643 2.066 3.883 1.00 0.00 C ATOM 125 C ILE A 12 7.975 2.966 2.848 1.00 0.00 C ATOM 126 O ILE A 12 7.136 2.515 2.068 1.00 0.00 O ATOM 127 CB ILE A 12 7.829 2.115 5.190 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.463 1.208 6.245 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.386 1.708 4.931 1.00 0.00 C ATOM 130 CD1 ILE A 12 7.776 1.272 7.591 1.00 0.00 C ATOM 0 H ILE A 12 10.310 2.484 5.083 1.00 0.00 H new ATOM 0 HA ILE A 12 8.660 1.041 3.514 1.00 0.00 H new ATOM 0 HB ILE A 12 7.835 3.138 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.445 0.179 5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.510 1.484 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.824 1.748 5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.939 2.391 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.360 0.693 4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.280 0.603 8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.817 2.292 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.735 0.967 7.483 1.00 0.00 H new ATOM 142 N VAL A 13 8.355 4.239 2.845 1.00 0.00 N ATOM 143 CA VAL A 13 7.796 5.201 1.904 1.00 0.00 C ATOM 144 C VAL A 13 8.525 5.149 0.566 1.00 0.00 C ATOM 145 O VAL A 13 7.899 5.133 -0.493 1.00 0.00 O ATOM 146 CB VAL A 13 7.868 6.636 2.459 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.330 7.631 1.441 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.105 6.739 3.771 1.00 0.00 C ATOM 0 H VAL A 13 9.048 4.628 3.484 1.00 0.00 H new ATOM 0 HA VAL A 13 6.751 4.928 1.756 1.00 0.00 H new ATOM 0 HB VAL A 13 8.913 6.879 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.389 8.639 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.924 7.575 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.291 7.392 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.167 7.760 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.060 6.476 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.541 6.056 4.500 1.00 0.00 H new ATOM 158 N ASN A 14 9.852 5.120 0.622 1.00 0.00 N ATOM 159 CA ASN A 14 10.668 5.070 -0.586 1.00 0.00 C ATOM 160 C ASN A 14 10.351 3.821 -1.405 1.00 0.00 C ATOM 161 O ASN A 14 9.969 3.912 -2.571 1.00 0.00 O ATOM 162 CB ASN A 14 12.154 5.091 -0.225 1.00 0.00 C ATOM 163 CG ASN A 14 12.717 6.499 -0.176 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.134 6.977 0.879 1.00 0.00 O ATOM 165 ND2 ASN A 14 12.731 7.170 -1.321 1.00 0.00 N ATOM 0 H ASN A 14 10.386 5.130 1.491 1.00 0.00 H new ATOM 0 HA ASN A 14 10.435 5.948 -1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.297 4.612 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.711 4.505 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.098 8.121 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.375 6.734 -2.172 1.00 0.00 H new ATOM 172 N TRP A 15 10.510 2.658 -0.784 1.00 0.00 N ATOM 173 CA TRP A 15 10.240 1.391 -1.454 1.00 0.00 C ATOM 174 C TRP A 15 8.964 1.476 -2.283 1.00 0.00 C ATOM 175 O TRP A 15 8.936 1.062 -3.443 1.00 0.00 O ATOM 176 CB TRP A 15 10.123 0.263 -0.429 1.00 0.00 C ATOM 177 CG TRP A 15 10.012 -1.096 -1.052 1.00 0.00 C ATOM 178 CD1 TRP A 15 11.036 -1.869 -1.521 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.810 -1.841 -1.274 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.543 -3.049 -2.022 1.00 0.00 N ATOM 181 CE2 TRP A 15 9.180 -3.058 -1.881 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.458 -1.602 -1.018 1.00 0.00 C ATOM 183 CZ2 TRP A 15 8.246 -4.028 -2.235 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.532 -2.564 -1.370 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.929 -3.766 -1.973 1.00 0.00 C ATOM 0 H TRP A 15 10.824 2.566 0.182 1.00 0.00 H new ATOM 0 HA TRP A 15 11.073 1.178 -2.124 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.994 0.285 0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.249 0.440 0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 15 12.080 -1.593 -1.501 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.101 -3.798 -2.433 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.142 -0.680 -0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.550 -4.954 -2.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.484 -2.388 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.181 -4.499 -2.236 1.00 0.00 H new ATOM 196 N VAL A 16 7.907 2.016 -1.683 1.00 0.00 N ATOM 197 CA VAL A 16 6.627 2.155 -2.367 1.00 0.00 C ATOM 198 C VAL A 16 6.756 3.046 -3.598 1.00 0.00 C ATOM 199 O VAL A 16 6.326 2.678 -4.690 1.00 0.00 O ATOM 200 CB VAL A 16 5.553 2.742 -1.433 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.249 2.959 -2.188 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.338 1.833 -0.232 1.00 0.00 C ATOM 0 H VAL A 16 7.913 2.364 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 16 6.322 1.155 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 16 5.900 3.709 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.502 3.374 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.417 3.652 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.893 2.007 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.576 2.263 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.012 0.850 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.272 1.734 0.321 1.00 0.00 H new ATOM 212 N ASN A 17 7.352 4.219 -3.413 1.00 0.00 N ATOM 213 CA ASN A 17 7.539 5.163 -4.508 1.00 0.00 C ATOM 214 C ASN A 17 8.226 4.492 -5.694 1.00 0.00 C ATOM 215 O ASN A 17 7.760 4.585 -6.828 1.00 0.00 O ATOM 216 CB ASN A 17 8.363 6.364 -4.040 1.00 0.00 C ATOM 217 CG ASN A 17 7.507 7.435 -3.391 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.413 8.557 -3.889 1.00 0.00 O ATOM 219 ND2 ASN A 17 6.877 7.091 -2.273 1.00 0.00 N ATOM 0 H ASN A 17 7.714 4.539 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 17 6.556 5.508 -4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.119 6.028 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.892 6.792 -4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.286 7.769 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.984 6.149 -1.896 1.00 0.00 H new ATOM 226 N GLU A 18 9.339 3.816 -5.421 1.00 0.00 N ATOM 227 CA GLU A 18 10.090 3.131 -6.466 1.00 0.00 C ATOM 228 C GLU A 18 9.230 2.072 -7.149 1.00 0.00 C ATOM 229 O GLU A 18 9.102 2.055 -8.373 1.00 0.00 O ATOM 230 CB GLU A 18 11.346 2.483 -5.879 1.00 0.00 C ATOM 231 CG GLU A 18 12.537 3.422 -5.803 1.00 0.00 C ATOM 232 CD GLU A 18 13.105 3.756 -7.168 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.399 2.817 -7.936 1.00 0.00 O ATOM 234 OE2 GLU A 18 13.256 4.960 -7.469 1.00 0.00 O ATOM 0 H GLU A 18 9.739 3.729 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 18 10.385 3.870 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.120 2.114 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.615 1.617 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.237 4.343 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.316 2.966 -5.191 1.00 0.00 H new ATOM 241 N THR A 19 8.641 1.189 -6.348 1.00 0.00 N ATOM 242 CA THR A 19 7.794 0.126 -6.874 1.00 0.00 C ATOM 243 C THR A 19 6.800 0.668 -7.894 1.00 0.00 C ATOM 244 O THR A 19 6.616 0.090 -8.965 1.00 0.00 O ATOM 245 CB THR A 19 7.020 -0.585 -5.748 1.00 0.00 C ATOM 246 OG1 THR A 19 7.936 -1.229 -4.855 1.00 0.00 O ATOM 247 CG2 THR A 19 6.054 -1.611 -6.319 1.00 0.00 C ATOM 0 H THR A 19 8.735 1.189 -5.332 1.00 0.00 H new ATOM 0 HA THR A 19 8.454 -0.592 -7.361 1.00 0.00 H new ATOM 0 HB THR A 19 6.447 0.164 -5.202 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.371 -0.556 -4.291 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.519 -2.100 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.340 -1.113 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.610 -2.357 -6.887 1.00 0.00 H new ATOM 255 N LEU A 20 6.162 1.783 -7.556 1.00 0.00 N ATOM 256 CA LEU A 20 5.186 2.405 -8.443 1.00 0.00 C ATOM 257 C LEU A 20 5.870 3.027 -9.656 1.00 0.00 C ATOM 258 O LEU A 20 5.408 2.879 -10.787 1.00 0.00 O ATOM 259 CB LEU A 20 4.389 3.473 -7.690 1.00 0.00 C ATOM 260 CG LEU A 20 3.609 2.989 -6.466 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.344 4.143 -5.512 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.303 2.335 -6.891 1.00 0.00 C ATOM 0 H LEU A 20 6.303 2.275 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 20 4.504 1.629 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.078 4.255 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.686 3.932 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 20 4.212 2.245 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.788 3.780 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.292 4.567 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.761 4.910 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.761 1.997 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.695 3.057 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.516 1.482 -7.535 1.00 0.00 H new ATOM 274 N ARG A 21 6.977 3.723 -9.412 1.00 0.00 N ATOM 275 CA ARG A 21 7.726 4.366 -10.483 1.00 0.00 C ATOM 276 C ARG A 21 8.149 3.348 -11.538 1.00 0.00 C ATOM 277 O ARG A 21 8.066 3.612 -12.737 1.00 0.00 O ATOM 278 CB ARG A 21 8.960 5.074 -9.918 1.00 0.00 C ATOM 279 CG ARG A 21 9.797 5.775 -10.975 1.00 0.00 C ATOM 280 CD ARG A 21 10.745 6.788 -10.353 1.00 0.00 C ATOM 281 NE ARG A 21 11.048 7.887 -11.266 1.00 0.00 N ATOM 282 CZ ARG A 21 10.231 8.914 -11.477 1.00 0.00 C ATOM 283 NH1 ARG A 21 9.069 8.981 -10.843 1.00 0.00 N ATOM 284 NH2 ARG A 21 10.578 9.875 -12.323 1.00 0.00 N ATOM 0 H ARG A 21 7.374 3.855 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 21 7.076 5.103 -10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.641 5.805 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.582 4.344 -9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.369 5.036 -11.536 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.141 6.278 -11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.302 7.187 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.671 6.289 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 21 11.935 7.865 -11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.800 8.244 -10.192 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.444 9.770 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.472 9.826 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.951 10.663 -12.485 1.00 0.00 H new ATOM 298 N GLU A 22 8.605 2.186 -11.082 1.00 0.00 N ATOM 299 CA GLU A 22 9.043 1.129 -11.987 1.00 0.00 C ATOM 300 C GLU A 22 7.932 0.755 -12.964 1.00 0.00 C ATOM 301 O GLU A 22 8.179 0.544 -14.150 1.00 0.00 O ATOM 302 CB GLU A 22 9.476 -0.105 -11.193 1.00 0.00 C ATOM 303 CG GLU A 22 10.698 0.129 -10.321 1.00 0.00 C ATOM 304 CD GLU A 22 11.531 -1.123 -10.135 1.00 0.00 C ATOM 305 OE1 GLU A 22 10.941 -2.218 -10.036 1.00 0.00 O ATOM 306 OE2 GLU A 22 12.774 -1.008 -10.086 1.00 0.00 O ATOM 0 H GLU A 22 8.681 1.952 -10.092 1.00 0.00 H new ATOM 0 HA GLU A 22 9.894 1.502 -12.557 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.648 -0.430 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.686 -0.918 -11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.315 0.908 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.379 0.496 -9.346 1.00 0.00 H new ATOM 313 N ALA A 23 6.707 0.674 -12.455 1.00 0.00 N ATOM 314 CA ALA A 23 5.557 0.327 -13.282 1.00 0.00 C ATOM 315 C ALA A 23 4.991 1.558 -13.980 1.00 0.00 C ATOM 316 O ALA A 23 4.152 1.445 -14.873 1.00 0.00 O ATOM 317 CB ALA A 23 4.484 -0.345 -12.438 1.00 0.00 C ATOM 0 H ALA A 23 6.485 0.844 -11.474 1.00 0.00 H new ATOM 0 HA ALA A 23 5.890 -0.371 -14.050 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.631 -0.599 -13.068 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.888 -1.253 -11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.163 0.335 -11.649 1.00 0.00 H new ATOM 323 N GLU A 24 5.455 2.734 -13.565 1.00 0.00 N ATOM 324 CA GLU A 24 4.992 3.986 -14.151 1.00 0.00 C ATOM 325 C GLU A 24 3.590 4.333 -13.658 1.00 0.00 C ATOM 326 O GLU A 24 2.776 4.880 -14.401 1.00 0.00 O ATOM 327 CB GLU A 24 4.999 3.894 -15.679 1.00 0.00 C ATOM 328 CG GLU A 24 6.232 3.209 -16.241 1.00 0.00 C ATOM 329 CD GLU A 24 5.963 2.519 -17.565 1.00 0.00 C ATOM 330 OE1 GLU A 24 6.041 3.194 -18.613 1.00 0.00 O ATOM 331 OE2 GLU A 24 5.676 1.303 -17.552 1.00 0.00 O ATOM 0 H GLU A 24 6.150 2.845 -12.827 1.00 0.00 H new ATOM 0 HA GLU A 24 5.674 4.777 -13.839 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.112 3.352 -16.006 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.930 4.899 -16.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.024 3.946 -16.374 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.596 2.476 -15.521 1.00 0.00 H new ATOM 338 N LYS A 25 3.316 4.008 -12.398 1.00 0.00 N ATOM 339 CA LYS A 25 2.014 4.284 -11.804 1.00 0.00 C ATOM 340 C LYS A 25 1.853 5.772 -11.513 1.00 0.00 C ATOM 341 O LYS A 25 2.835 6.481 -11.291 1.00 0.00 O ATOM 342 CB LYS A 25 1.839 3.480 -10.513 1.00 0.00 C ATOM 343 CG LYS A 25 1.111 2.162 -10.711 1.00 0.00 C ATOM 344 CD LYS A 25 1.855 1.254 -11.676 1.00 0.00 C ATOM 345 CE LYS A 25 1.028 0.029 -12.037 1.00 0.00 C ATOM 346 NZ LYS A 25 1.332 -0.460 -13.410 1.00 0.00 N ATOM 0 H LYS A 25 3.979 3.553 -11.770 1.00 0.00 H new ATOM 0 HA LYS A 25 1.246 3.986 -12.518 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.821 3.282 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.290 4.084 -9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.999 1.659 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.107 2.353 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.102 1.808 -12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.798 0.939 -11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.223 -0.766 -11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.032 0.272 -11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.455 -0.496 -13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.007 0.186 -13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.747 -1.412 -13.355 1.00 0.00 H new ATOM 360 N SER A 26 0.609 6.240 -11.514 1.00 0.00 N ATOM 361 CA SER A 26 0.320 7.646 -11.252 1.00 0.00 C ATOM 362 C SER A 26 0.089 7.885 -9.764 1.00 0.00 C ATOM 363 O SER A 26 -0.284 8.983 -9.351 1.00 0.00 O ATOM 364 CB SER A 26 -0.907 8.092 -12.049 1.00 0.00 C ATOM 365 OG SER A 26 -2.105 7.729 -11.386 1.00 0.00 O ATOM 0 H SER A 26 -0.215 5.667 -11.693 1.00 0.00 H new ATOM 0 HA SER A 26 1.182 8.234 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.879 9.172 -12.191 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.885 7.639 -13.040 1.00 0.00 H new ATOM 0 HG SER A 26 -2.875 8.027 -11.915 1.00 0.00 H new ATOM 371 N SER A 27 0.313 6.848 -8.962 1.00 0.00 N ATOM 372 CA SER A 27 0.126 6.943 -7.519 1.00 0.00 C ATOM 373 C SER A 27 1.460 7.158 -6.811 1.00 0.00 C ATOM 374 O SER A 27 2.521 6.849 -7.355 1.00 0.00 O ATOM 375 CB SER A 27 -0.549 5.678 -6.987 1.00 0.00 C ATOM 376 OG SER A 27 0.333 4.570 -7.038 1.00 0.00 O ATOM 0 H SER A 27 0.624 5.933 -9.288 1.00 0.00 H new ATOM 0 HA SER A 27 -0.515 7.801 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.875 5.840 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.442 5.464 -7.575 1.00 0.00 H new ATOM 0 HG SER A 27 0.754 4.446 -6.162 1.00 0.00 H new ATOM 382 N SER A 28 1.399 7.691 -5.595 1.00 0.00 N ATOM 383 CA SER A 28 2.601 7.952 -4.814 1.00 0.00 C ATOM 384 C SER A 28 2.244 8.449 -3.416 1.00 0.00 C ATOM 385 O SER A 28 1.130 8.915 -3.178 1.00 0.00 O ATOM 386 CB SER A 28 3.484 8.981 -5.523 1.00 0.00 C ATOM 387 OG SER A 28 2.980 10.293 -5.347 1.00 0.00 O ATOM 0 H SER A 28 0.529 7.950 -5.130 1.00 0.00 H new ATOM 0 HA SER A 28 3.152 7.016 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.500 8.923 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.537 8.748 -6.587 1.00 0.00 H new ATOM 0 HG SER A 28 3.563 10.932 -5.808 1.00 0.00 H new ATOM 393 N ILE A 29 3.197 8.347 -2.496 1.00 0.00 N ATOM 394 CA ILE A 29 2.984 8.788 -1.123 1.00 0.00 C ATOM 395 C ILE A 29 4.173 9.597 -0.615 1.00 0.00 C ATOM 396 O ILE A 29 5.324 9.285 -0.917 1.00 0.00 O ATOM 397 CB ILE A 29 2.749 7.593 -0.179 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.767 6.486 -0.459 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.330 7.068 -0.334 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.093 5.644 0.755 1.00 0.00 C ATOM 0 H ILE A 29 4.124 7.963 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 29 2.095 9.418 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 29 2.881 7.929 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.381 5.839 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.685 6.935 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.179 6.224 0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.621 7.859 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.172 6.744 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.821 4.880 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.509 6.279 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.184 5.166 1.121 1.00 0.00 H new ATOM 412 N SER A 30 3.884 10.636 0.162 1.00 0.00 N ATOM 413 CA SER A 30 4.930 11.492 0.713 1.00 0.00 C ATOM 414 C SER A 30 5.436 10.944 2.044 1.00 0.00 C ATOM 415 O SER A 30 6.637 10.943 2.311 1.00 0.00 O ATOM 416 CB SER A 30 4.404 12.917 0.901 1.00 0.00 C ATOM 417 OG SER A 30 5.304 13.694 1.671 1.00 0.00 O ATOM 0 H SER A 30 2.936 10.906 0.424 1.00 0.00 H new ATOM 0 HA SER A 30 5.761 11.509 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.255 13.385 -0.072 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.431 12.887 1.392 1.00 0.00 H new ATOM 0 HG SER A 30 4.947 14.600 1.776 1.00 0.00 H new ATOM 423 N SER A 31 4.509 10.478 2.876 1.00 0.00 N ATOM 424 CA SER A 31 4.860 9.931 4.180 1.00 0.00 C ATOM 425 C SER A 31 3.671 9.202 4.802 1.00 0.00 C ATOM 426 O SER A 31 2.555 9.257 4.284 1.00 0.00 O ATOM 427 CB SER A 31 5.333 11.046 5.114 1.00 0.00 C ATOM 428 OG SER A 31 5.825 10.516 6.333 1.00 0.00 O ATOM 0 H SER A 31 3.510 10.469 2.669 1.00 0.00 H new ATOM 0 HA SER A 31 5.670 9.216 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.115 11.627 4.625 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.508 11.729 5.317 1.00 0.00 H new ATOM 0 HG SER A 31 6.123 11.249 6.912 1.00 0.00 H new ATOM 434 N PHE A 32 3.919 8.521 5.915 1.00 0.00 N ATOM 435 CA PHE A 32 2.869 7.780 6.606 1.00 0.00 C ATOM 436 C PHE A 32 1.633 8.650 6.810 1.00 0.00 C ATOM 437 O PHE A 32 0.508 8.150 6.857 1.00 0.00 O ATOM 438 CB PHE A 32 3.380 7.276 7.958 1.00 0.00 C ATOM 439 CG PHE A 32 4.519 6.303 7.844 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.277 4.953 7.647 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.831 6.739 7.933 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.324 4.057 7.541 1.00 0.00 C ATOM 443 CE2 PHE A 32 6.881 5.847 7.830 1.00 0.00 C ATOM 444 CZ PHE A 32 6.627 4.503 7.633 1.00 0.00 C ATOM 0 H PHE A 32 4.836 8.466 6.358 1.00 0.00 H new ATOM 0 HA PHE A 32 2.592 6.927 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.700 8.129 8.557 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.558 6.800 8.493 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.260 4.597 7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.035 7.789 8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.122 3.007 7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.899 6.200 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.446 3.803 7.551 1.00 0.00 H new ATOM 454 N LYS A 33 1.849 9.956 6.928 1.00 0.00 N ATOM 455 CA LYS A 33 0.753 10.898 7.126 1.00 0.00 C ATOM 456 C LYS A 33 0.328 11.523 5.801 1.00 0.00 C ATOM 457 O LYS A 33 0.024 12.715 5.735 1.00 0.00 O ATOM 458 CB LYS A 33 1.167 11.994 8.111 1.00 0.00 C ATOM 459 CG LYS A 33 1.324 11.502 9.539 1.00 0.00 C ATOM 460 CD LYS A 33 2.743 11.030 9.813 1.00 0.00 C ATOM 461 CE LYS A 33 2.923 10.621 11.267 1.00 0.00 C ATOM 462 NZ LYS A 33 4.220 9.924 11.490 1.00 0.00 N ATOM 0 H LYS A 33 2.773 10.386 6.890 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.095 10.350 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.110 12.430 7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.422 12.790 8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.066 12.303 10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.626 10.685 9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.978 10.186 9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.446 11.826 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.872 11.505 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.103 9.967 11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.305 9.661 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.259 9.066 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.003 10.557 11.230 1.00 0.00 H new ATOM 476 N ASP A 34 0.308 10.713 4.750 1.00 0.00 N ATOM 477 CA ASP A 34 -0.082 11.186 3.427 1.00 0.00 C ATOM 478 C ASP A 34 -1.591 11.081 3.236 1.00 0.00 C ATOM 479 O ASP A 34 -2.199 10.035 3.461 1.00 0.00 O ATOM 480 CB ASP A 34 0.639 10.385 2.341 1.00 0.00 C ATOM 481 CG ASP A 34 -0.008 10.544 0.979 1.00 0.00 C ATOM 482 OD1 ASP A 34 -0.148 11.697 0.519 1.00 0.00 O ATOM 483 OD2 ASP A 34 -0.370 9.516 0.371 1.00 0.00 O ATOM 0 H ASP A 34 0.557 9.725 4.788 1.00 0.00 H new ATOM 0 HA ASP A 34 0.205 12.234 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.679 10.707 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.646 9.330 2.616 1.00 0.00 H new ATOM 488 N PRO A 35 -2.214 12.192 2.811 1.00 0.00 N ATOM 489 CA PRO A 35 -3.660 12.250 2.581 1.00 0.00 C ATOM 490 C PRO A 35 -4.088 11.430 1.369 1.00 0.00 C ATOM 491 O PRO A 35 -5.198 10.898 1.327 1.00 0.00 O ATOM 492 CB PRO A 35 -3.921 13.739 2.338 1.00 0.00 C ATOM 493 CG PRO A 35 -2.624 14.273 1.834 1.00 0.00 C ATOM 494 CD PRO A 35 -1.552 13.476 2.523 1.00 0.00 C ATOM 0 HA PRO A 35 -4.222 11.835 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.720 13.888 1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.227 14.242 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.553 14.168 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.526 15.335 2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.678 13.343 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.211 13.966 3.435 1.00 0.00 H new ATOM 502 N LYS A 36 -3.201 11.331 0.385 1.00 0.00 N ATOM 503 CA LYS A 36 -3.485 10.573 -0.828 1.00 0.00 C ATOM 504 C LYS A 36 -3.818 9.122 -0.498 1.00 0.00 C ATOM 505 O LYS A 36 -4.500 8.441 -1.265 1.00 0.00 O ATOM 506 CB LYS A 36 -2.290 10.629 -1.781 1.00 0.00 C ATOM 507 CG LYS A 36 -2.314 11.825 -2.718 1.00 0.00 C ATOM 508 CD LYS A 36 -1.702 13.055 -2.067 1.00 0.00 C ATOM 509 CE LYS A 36 -1.415 14.142 -3.091 1.00 0.00 C ATOM 510 NZ LYS A 36 -0.344 15.070 -2.631 1.00 0.00 N ATOM 0 H LYS A 36 -2.279 11.766 0.404 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.350 11.024 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.371 10.655 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.265 9.714 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.768 11.585 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.342 12.040 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.380 13.441 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.778 12.778 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.117 13.683 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.326 14.707 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.178 15.796 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.638 15.528 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.533 14.535 -2.470 1.00 0.00 H new ATOM 524 N ILE A 37 -3.334 8.654 0.647 1.00 0.00 N ATOM 525 CA ILE A 37 -3.582 7.285 1.079 1.00 0.00 C ATOM 526 C ILE A 37 -5.067 7.049 1.334 1.00 0.00 C ATOM 527 O ILE A 37 -5.552 5.921 1.244 1.00 0.00 O ATOM 528 CB ILE A 37 -2.793 6.945 2.357 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.290 7.085 2.108 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.129 5.539 2.829 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.439 6.618 3.268 1.00 0.00 C ATOM 0 H ILE A 37 -2.767 9.204 1.293 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.246 6.635 0.271 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.079 7.648 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.023 6.514 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.061 8.130 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.563 5.314 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.196 5.472 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.869 4.822 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.615 6.747 3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.678 7.205 4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.640 5.565 3.466 1.00 0.00 H new ATOM 543 N SER A 38 -5.784 8.123 1.652 1.00 0.00 N ATOM 544 CA SER A 38 -7.215 8.033 1.922 1.00 0.00 C ATOM 545 C SER A 38 -7.941 7.332 0.777 1.00 0.00 C ATOM 546 O SER A 38 -8.871 6.555 0.999 1.00 0.00 O ATOM 547 CB SER A 38 -7.803 9.428 2.136 1.00 0.00 C ATOM 548 OG SER A 38 -9.204 9.366 2.342 1.00 0.00 O ATOM 0 H SER A 38 -5.398 9.064 1.729 1.00 0.00 H new ATOM 0 HA SER A 38 -7.353 7.445 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.327 9.899 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.587 10.054 1.270 1.00 0.00 H new ATOM 0 HG SER A 38 -9.393 8.841 3.148 1.00 0.00 H new ATOM 554 N THR A 39 -7.510 7.614 -0.448 1.00 0.00 N ATOM 555 CA THR A 39 -8.118 7.013 -1.628 1.00 0.00 C ATOM 556 C THR A 39 -7.569 5.613 -1.878 1.00 0.00 C ATOM 557 O THR A 39 -8.068 4.883 -2.734 1.00 0.00 O ATOM 558 CB THR A 39 -7.883 7.876 -2.883 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.481 7.980 -3.150 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.475 9.266 -2.703 1.00 0.00 C ATOM 0 H THR A 39 -6.742 8.255 -0.649 1.00 0.00 H new ATOM 0 HA THR A 39 -9.189 6.951 -1.434 1.00 0.00 H new ATOM 0 HB THR A 39 -8.378 7.394 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.003 8.178 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.297 9.857 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.548 9.185 -2.529 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.005 9.754 -1.849 1.00 0.00 H new ATOM 568 N SER A 40 -6.538 5.244 -1.125 1.00 0.00 N ATOM 569 CA SER A 40 -5.918 3.931 -1.268 1.00 0.00 C ATOM 570 C SER A 40 -5.294 3.772 -2.651 1.00 0.00 C ATOM 571 O SER A 40 -5.164 2.660 -3.163 1.00 0.00 O ATOM 572 CB SER A 40 -6.952 2.828 -1.032 1.00 0.00 C ATOM 573 OG SER A 40 -7.391 2.820 0.315 1.00 0.00 O ATOM 0 H SER A 40 -6.114 5.835 -0.410 1.00 0.00 H new ATOM 0 HA SER A 40 -5.129 3.846 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.805 2.977 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.519 1.860 -1.282 1.00 0.00 H new ATOM 0 HG SER A 40 -8.052 2.108 0.439 1.00 0.00 H new ATOM 579 N LEU A 41 -4.908 4.893 -3.250 1.00 0.00 N ATOM 580 CA LEU A 41 -4.296 4.882 -4.574 1.00 0.00 C ATOM 581 C LEU A 41 -2.921 4.221 -4.533 1.00 0.00 C ATOM 582 O LEU A 41 -2.621 3.307 -5.301 1.00 0.00 O ATOM 583 CB LEU A 41 -4.174 6.307 -5.115 1.00 0.00 C ATOM 584 CG LEU A 41 -5.426 6.883 -5.777 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.210 8.343 -6.148 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.803 6.069 -7.006 1.00 0.00 C ATOM 0 H LEU A 41 -5.008 5.821 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.938 4.303 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.888 6.963 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.360 6.331 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.248 6.828 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.111 8.736 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.989 8.918 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.374 8.422 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.696 6.494 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.982 6.091 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.001 5.038 -6.713 1.00 0.00 H new ATOM 598 N PRO A 42 -2.066 4.693 -3.614 1.00 0.00 N ATOM 599 CA PRO A 42 -0.710 4.161 -3.448 1.00 0.00 C ATOM 600 C PRO A 42 -0.707 2.751 -2.869 1.00 0.00 C ATOM 601 O PRO A 42 0.181 1.950 -3.163 1.00 0.00 O ATOM 602 CB PRO A 42 -0.061 5.142 -2.467 1.00 0.00 C ATOM 603 CG PRO A 42 -1.201 5.724 -1.704 1.00 0.00 C ATOM 604 CD PRO A 42 -2.357 5.780 -2.665 1.00 0.00 C ATOM 0 HA PRO A 42 -0.186 4.079 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.640 4.634 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.499 5.915 -2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.444 5.110 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.954 6.718 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.309 5.626 -2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.416 6.746 -3.167 1.00 0.00 H new ATOM 612 N VAL A 43 -1.707 2.451 -2.046 1.00 0.00 N ATOM 613 CA VAL A 43 -1.820 1.136 -1.427 1.00 0.00 C ATOM 614 C VAL A 43 -2.277 0.090 -2.438 1.00 0.00 C ATOM 615 O VAL A 43 -1.816 -1.052 -2.418 1.00 0.00 O ATOM 616 CB VAL A 43 -2.807 1.155 -0.245 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.734 -0.149 0.534 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.528 2.343 0.663 1.00 0.00 C ATOM 0 H VAL A 43 -2.451 3.101 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.828 0.874 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.817 1.258 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.439 -0.116 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.987 -0.980 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.724 -0.286 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.235 2.341 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.512 2.273 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.637 3.268 0.096 1.00 0.00 H new ATOM 628 N LEU A 44 -3.184 0.488 -3.323 1.00 0.00 N ATOM 629 CA LEU A 44 -3.704 -0.414 -4.346 1.00 0.00 C ATOM 630 C LEU A 44 -2.704 -0.579 -5.485 1.00 0.00 C ATOM 631 O LEU A 44 -2.373 -1.698 -5.878 1.00 0.00 O ATOM 632 CB LEU A 44 -5.033 0.110 -4.890 1.00 0.00 C ATOM 633 CG LEU A 44 -6.230 0.014 -3.944 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.329 0.974 -4.372 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.757 -1.412 -3.894 1.00 0.00 C ATOM 0 H LEU A 44 -3.575 1.430 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.867 -1.389 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.901 1.155 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.271 -0.438 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.900 0.295 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.172 0.891 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.947 1.995 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.656 0.725 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.609 -1.462 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.069 -1.720 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.971 -2.078 -3.538 1.00 0.00 H new ATOM 647 N ASP A 45 -2.225 0.543 -6.012 1.00 0.00 N ATOM 648 CA ASP A 45 -1.260 0.523 -7.105 1.00 0.00 C ATOM 649 C ASP A 45 -0.004 -0.246 -6.708 1.00 0.00 C ATOM 650 O ASP A 45 0.542 -1.016 -7.499 1.00 0.00 O ATOM 651 CB ASP A 45 -0.891 1.951 -7.514 1.00 0.00 C ATOM 652 CG ASP A 45 -1.830 2.513 -8.563 1.00 0.00 C ATOM 653 OD1 ASP A 45 -1.936 1.909 -9.651 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.460 3.557 -8.295 1.00 0.00 O ATOM 0 H ASP A 45 -2.489 1.477 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.720 0.017 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.908 2.594 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.129 1.964 -7.899 1.00 0.00 H new ATOM 659 N LEU A 46 0.450 -0.032 -5.478 1.00 0.00 N ATOM 660 CA LEU A 46 1.643 -0.704 -4.974 1.00 0.00 C ATOM 661 C LEU A 46 1.502 -2.218 -5.085 1.00 0.00 C ATOM 662 O LEU A 46 2.455 -2.917 -5.429 1.00 0.00 O ATOM 663 CB LEU A 46 1.900 -0.309 -3.520 1.00 0.00 C ATOM 664 CG LEU A 46 2.851 -1.213 -2.736 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.145 -1.424 -3.509 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.139 -0.623 -1.364 1.00 0.00 C ATOM 0 H LEU A 46 0.010 0.602 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 46 2.491 -0.391 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.300 0.705 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.944 -0.282 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 46 2.370 -2.182 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.810 -2.070 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.924 -1.891 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.629 -0.462 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.818 -1.280 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.599 0.358 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.207 -0.524 -0.808 1.00 0.00 H new ATOM 678 N ILE A 47 0.306 -2.719 -4.793 1.00 0.00 N ATOM 679 CA ILE A 47 0.040 -4.150 -4.862 1.00 0.00 C ATOM 680 C ILE A 47 0.035 -4.639 -6.307 1.00 0.00 C ATOM 681 O ILE A 47 0.741 -5.585 -6.655 1.00 0.00 O ATOM 682 CB ILE A 47 -1.309 -4.505 -4.207 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.319 -4.067 -2.741 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.577 -5.997 -4.323 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.710 -3.926 -2.163 1.00 0.00 C ATOM 0 H ILE A 47 -0.494 -2.155 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 47 0.842 -4.646 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.103 -3.972 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.760 -4.792 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.798 -3.114 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.533 -6.232 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.608 -6.280 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.782 -6.549 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.641 -3.613 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.266 -3.179 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.227 -4.884 -2.221 1.00 0.00 H new ATOM 697 N ASP A 48 -0.765 -3.987 -7.143 1.00 0.00 N ATOM 698 CA ASP A 48 -0.860 -4.353 -8.552 1.00 0.00 C ATOM 699 C ASP A 48 0.517 -4.350 -9.208 1.00 0.00 C ATOM 700 O ASP A 48 0.899 -5.311 -9.875 1.00 0.00 O ATOM 701 CB ASP A 48 -1.793 -3.391 -9.289 1.00 0.00 C ATOM 702 CG ASP A 48 -2.114 -3.858 -10.695 1.00 0.00 C ATOM 703 OD1 ASP A 48 -2.405 -5.060 -10.868 1.00 0.00 O ATOM 704 OD2 ASP A 48 -2.072 -3.022 -11.621 1.00 0.00 O ATOM 0 H ASP A 48 -1.357 -3.203 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.269 -5.361 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.719 -3.284 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.331 -2.405 -9.334 1.00 0.00 H new ATOM 709 N ALA A 49 1.257 -3.263 -9.015 1.00 0.00 N ATOM 710 CA ALA A 49 2.591 -3.135 -9.587 1.00 0.00 C ATOM 711 C ALA A 49 3.350 -4.456 -9.511 1.00 0.00 C ATOM 712 O ALA A 49 3.987 -4.873 -10.478 1.00 0.00 O ATOM 713 CB ALA A 49 3.368 -2.037 -8.875 1.00 0.00 C ATOM 0 H ALA A 49 0.955 -2.458 -8.466 1.00 0.00 H new ATOM 0 HA ALA A 49 2.484 -2.867 -10.638 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.363 -1.953 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.842 -1.089 -8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.457 -2.282 -7.817 1.00 0.00 H new ATOM 719 N ILE A 50 3.276 -5.110 -8.357 1.00 0.00 N ATOM 720 CA ILE A 50 3.955 -6.384 -8.156 1.00 0.00 C ATOM 721 C ILE A 50 3.189 -7.526 -8.815 1.00 0.00 C ATOM 722 O ILE A 50 3.699 -8.188 -9.718 1.00 0.00 O ATOM 723 CB ILE A 50 4.134 -6.697 -6.659 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.791 -5.514 -5.943 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.963 -7.960 -6.477 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.694 -5.592 -4.435 1.00 0.00 C ATOM 0 H ILE A 50 2.753 -4.779 -7.547 1.00 0.00 H new ATOM 0 HA ILE A 50 4.937 -6.294 -8.620 1.00 0.00 H new ATOM 0 HB ILE A 50 3.151 -6.864 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.841 -5.464 -6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.324 -4.589 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.081 -8.168 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.459 -8.799 -6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.944 -7.819 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.180 -4.722 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.645 -5.611 -4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.187 -6.499 -4.085 1.00 0.00 H new ATOM 738 N GLN A 51 1.961 -7.748 -8.357 1.00 0.00 N ATOM 739 CA GLN A 51 1.124 -8.810 -8.902 1.00 0.00 C ATOM 740 C GLN A 51 -0.018 -8.230 -9.732 1.00 0.00 C ATOM 741 O GLN A 51 -1.054 -7.825 -9.207 1.00 0.00 O ATOM 742 CB GLN A 51 0.562 -9.676 -7.775 1.00 0.00 C ATOM 743 CG GLN A 51 -0.283 -10.841 -8.265 1.00 0.00 C ATOM 744 CD GLN A 51 0.553 -12.038 -8.673 1.00 0.00 C ATOM 745 OE1 GLN A 51 1.318 -11.976 -9.637 1.00 0.00 O ATOM 746 NE2 GLN A 51 0.413 -13.136 -7.940 1.00 0.00 N ATOM 0 H GLN A 51 1.524 -7.207 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 51 1.743 -9.429 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.389 -10.063 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.042 -9.052 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.976 -11.138 -7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.885 -10.517 -9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.232 -13.143 -7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.951 -13.973 -8.167 1.00 0.00 H new ATOM 755 N PRO A 52 0.176 -8.190 -11.059 1.00 0.00 N ATOM 756 CA PRO A 52 -0.827 -7.661 -11.989 1.00 0.00 C ATOM 757 C PRO A 52 -2.050 -8.565 -12.096 1.00 0.00 C ATOM 758 O PRO A 52 -1.937 -9.789 -12.042 1.00 0.00 O ATOM 759 CB PRO A 52 -0.080 -7.611 -13.324 1.00 0.00 C ATOM 760 CG PRO A 52 0.986 -8.646 -13.201 1.00 0.00 C ATOM 761 CD PRO A 52 1.388 -8.657 -11.752 1.00 0.00 C ATOM 0 HA PRO A 52 -1.215 -6.695 -11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.747 -7.827 -14.159 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.346 -6.624 -13.503 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.618 -9.624 -13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.836 -8.408 -13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.680 -9.654 -11.423 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.237 -7.999 -11.565 1.00 0.00 H new ATOM 769 N GLY A 53 -3.220 -7.953 -12.251 1.00 0.00 N ATOM 770 CA GLY A 53 -4.448 -8.719 -12.364 1.00 0.00 C ATOM 771 C GLY A 53 -5.298 -8.639 -11.111 1.00 0.00 C ATOM 772 O GLY A 53 -6.525 -8.721 -11.179 1.00 0.00 O ATOM 0 H GLY A 53 -3.340 -6.941 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.024 -8.353 -13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.205 -9.762 -12.569 1.00 0.00 H new ATOM 776 N SER A 54 -4.646 -8.483 -9.964 1.00 0.00 N ATOM 777 CA SER A 54 -5.349 -8.399 -8.689 1.00 0.00 C ATOM 778 C SER A 54 -6.261 -7.176 -8.652 1.00 0.00 C ATOM 779 O SER A 54 -7.481 -7.301 -8.544 1.00 0.00 O ATOM 780 CB SER A 54 -4.348 -8.340 -7.534 1.00 0.00 C ATOM 781 OG SER A 54 -3.453 -9.437 -7.578 1.00 0.00 O ATOM 0 H SER A 54 -3.631 -8.412 -9.891 1.00 0.00 H new ATOM 0 HA SER A 54 -5.964 -9.292 -8.581 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.787 -7.407 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.883 -8.341 -6.584 1.00 0.00 H new ATOM 0 HG SER A 54 -2.632 -9.171 -8.043 1.00 0.00 H new ATOM 787 N ILE A 55 -5.659 -5.994 -8.741 1.00 0.00 N ATOM 788 CA ILE A 55 -6.415 -4.749 -8.719 1.00 0.00 C ATOM 789 C ILE A 55 -7.077 -4.483 -10.067 1.00 0.00 C ATOM 790 O ILE A 55 -6.571 -4.896 -11.109 1.00 0.00 O ATOM 791 CB ILE A 55 -5.517 -3.552 -8.355 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.702 -3.861 -7.098 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.359 -2.300 -8.154 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.513 -3.800 -5.822 1.00 0.00 C ATOM 0 H ILE A 55 -4.650 -5.873 -8.829 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.185 -4.861 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.825 -3.372 -9.178 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.264 -4.855 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.875 -3.154 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.710 -1.463 -7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.898 -2.073 -9.074 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.072 -2.467 -7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.871 -4.030 -4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.929 -2.800 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.324 -4.527 -5.871 1.00 0.00 H new ATOM 806 N ASN A 56 -8.210 -3.788 -10.036 1.00 0.00 N ATOM 807 CA ASN A 56 -8.941 -3.465 -11.257 1.00 0.00 C ATOM 808 C ASN A 56 -9.582 -2.084 -11.157 1.00 0.00 C ATOM 809 O ASN A 56 -10.586 -1.903 -10.468 1.00 0.00 O ATOM 810 CB ASN A 56 -10.015 -4.520 -11.526 1.00 0.00 C ATOM 811 CG ASN A 56 -10.405 -4.588 -12.991 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.578 -4.369 -13.875 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.671 -4.891 -13.252 1.00 0.00 N ATOM 0 H ASN A 56 -8.641 -3.438 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.232 -3.458 -12.085 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.651 -5.496 -11.204 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.898 -4.296 -10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.993 -4.950 -14.218 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.322 -5.065 -12.486 1.00 0.00 H new ATOM 820 N TYR A 57 -8.994 -1.115 -11.850 1.00 0.00 N ATOM 821 CA TYR A 57 -9.507 0.251 -11.838 1.00 0.00 C ATOM 822 C TYR A 57 -10.989 0.279 -12.197 1.00 0.00 C ATOM 823 O TYR A 57 -11.755 1.076 -11.655 1.00 0.00 O ATOM 824 CB TYR A 57 -8.717 1.122 -12.816 1.00 0.00 C ATOM 825 CG TYR A 57 -7.518 1.799 -12.193 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.704 1.122 -11.292 1.00 0.00 C ATOM 827 CD2 TYR A 57 -7.198 3.115 -12.503 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.608 1.735 -10.719 1.00 0.00 C ATOM 829 CE2 TYR A 57 -6.104 3.737 -11.935 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.311 3.043 -11.044 1.00 0.00 C ATOM 831 OH TYR A 57 -4.220 3.660 -10.475 1.00 0.00 O ATOM 0 H TYR A 57 -8.163 -1.249 -12.426 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.389 0.649 -10.830 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.382 0.505 -13.650 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.380 1.883 -13.228 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.933 0.098 -11.036 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.816 3.661 -13.201 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.987 1.194 -10.021 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.870 4.761 -12.187 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.109 3.344 -9.554 1.00 0.00 H new ATOM 841 N ASP A 58 -11.386 -0.598 -13.113 1.00 0.00 N ATOM 842 CA ASP A 58 -12.777 -0.675 -13.544 1.00 0.00 C ATOM 843 C ASP A 58 -13.719 -0.680 -12.344 1.00 0.00 C ATOM 844 O ASP A 58 -14.764 -0.028 -12.359 1.00 0.00 O ATOM 845 CB ASP A 58 -13.002 -1.930 -14.389 1.00 0.00 C ATOM 846 CG ASP A 58 -14.101 -1.746 -15.417 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.252 -0.617 -15.928 1.00 0.00 O ATOM 848 OD2 ASP A 58 -14.809 -2.732 -15.712 1.00 0.00 O ATOM 0 H ASP A 58 -10.765 -1.265 -13.571 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.993 0.206 -14.149 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.074 -2.194 -14.897 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.256 -2.764 -13.735 1.00 0.00 H new ATOM 853 N LEU A 59 -13.342 -1.418 -11.305 1.00 0.00 N ATOM 854 CA LEU A 59 -14.153 -1.507 -10.096 1.00 0.00 C ATOM 855 C LEU A 59 -13.832 -0.365 -9.138 1.00 0.00 C ATOM 856 O LEU A 59 -14.714 0.149 -8.449 1.00 0.00 O ATOM 857 CB LEU A 59 -13.920 -2.851 -9.402 1.00 0.00 C ATOM 858 CG LEU A 59 -13.928 -4.084 -10.305 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.561 -5.329 -9.513 1.00 0.00 C ATOM 860 CD2 LEU A 59 -15.288 -4.253 -10.967 1.00 0.00 C ATOM 0 H LEU A 59 -12.480 -1.963 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.201 -1.429 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.960 -2.809 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.687 -2.980 -8.638 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.181 -3.942 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.572 -6.196 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.564 -5.209 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.283 -5.475 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.274 -5.136 -11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.054 -4.372 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.511 -3.373 -11.569 1.00 0.00 H new ATOM 872 N LEU A 60 -12.565 0.031 -9.103 1.00 0.00 N ATOM 873 CA LEU A 60 -12.127 1.117 -8.231 1.00 0.00 C ATOM 874 C LEU A 60 -12.997 2.354 -8.422 1.00 0.00 C ATOM 875 O LEU A 60 -13.821 2.412 -9.336 1.00 0.00 O ATOM 876 CB LEU A 60 -10.662 1.461 -8.510 1.00 0.00 C ATOM 877 CG LEU A 60 -9.653 0.335 -8.286 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.248 0.799 -8.639 1.00 0.00 C ATOM 879 CD2 LEU A 60 -9.710 -0.155 -6.847 1.00 0.00 C ATOM 0 H LEU A 60 -11.823 -0.383 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.226 0.783 -7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.579 1.796 -9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.381 2.304 -7.879 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.914 -0.496 -8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.543 -0.016 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.216 1.099 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.976 1.647 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.985 -0.957 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.476 0.669 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.711 -0.529 -6.629 1.00 0.00 H new ATOM 891 N LYS A 61 -12.810 3.343 -7.554 1.00 0.00 N ATOM 892 CA LYS A 61 -13.576 4.582 -7.628 1.00 0.00 C ATOM 893 C LYS A 61 -12.681 5.751 -8.027 1.00 0.00 C ATOM 894 O LYS A 61 -12.956 6.453 -9.001 1.00 0.00 O ATOM 895 CB LYS A 61 -14.245 4.873 -6.283 1.00 0.00 C ATOM 896 CG LYS A 61 -15.627 4.259 -6.146 1.00 0.00 C ATOM 897 CD LYS A 61 -15.559 2.857 -5.564 1.00 0.00 C ATOM 898 CE LYS A 61 -16.711 1.994 -6.056 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.901 2.100 -5.169 1.00 0.00 N ATOM 0 H LYS A 61 -12.134 3.310 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.346 4.460 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.609 4.498 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.321 5.952 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.245 4.890 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.110 4.225 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.612 2.393 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.583 2.912 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.984 2.295 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.389 0.954 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.072 1.184 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.731 2.827 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.733 2.363 -5.735 1.00 0.00 H new ATOM 913 N THR A 62 -11.608 5.955 -7.269 1.00 0.00 N ATOM 914 CA THR A 62 -10.673 7.038 -7.543 1.00 0.00 C ATOM 915 C THR A 62 -11.393 8.254 -8.118 1.00 0.00 C ATOM 916 O THR A 62 -10.840 8.980 -8.942 1.00 0.00 O ATOM 917 CB THR A 62 -9.572 6.596 -8.526 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.454 7.486 -8.442 1.00 0.00 O ATOM 919 CG2 THR A 62 -10.099 6.569 -9.953 1.00 0.00 C ATOM 0 H THR A 62 -11.365 5.383 -6.460 1.00 0.00 H new ATOM 0 HA THR A 62 -10.214 7.306 -6.592 1.00 0.00 H new ATOM 0 HB THR A 62 -9.256 5.589 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.751 8.402 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.304 6.254 -10.629 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.931 5.868 -10.020 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.440 7.565 -10.234 1.00 0.00 H new ATOM 927 N GLU A 63 -12.628 8.467 -7.677 1.00 0.00 N ATOM 928 CA GLU A 63 -13.422 9.595 -8.148 1.00 0.00 C ATOM 929 C GLU A 63 -14.153 10.268 -6.990 1.00 0.00 C ATOM 930 O GLU A 63 -15.115 9.725 -6.450 1.00 0.00 O ATOM 931 CB GLU A 63 -14.431 9.132 -9.201 1.00 0.00 C ATOM 932 CG GLU A 63 -15.489 8.187 -8.657 1.00 0.00 C ATOM 933 CD GLU A 63 -16.178 7.391 -9.749 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.473 6.709 -10.520 1.00 0.00 O ATOM 935 OE2 GLU A 63 -17.423 7.453 -9.830 1.00 0.00 O ATOM 0 H GLU A 63 -13.100 7.874 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.744 10.320 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.922 10.005 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.896 8.637 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.027 7.500 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.234 8.761 -8.106 1.00 0.00 H new ATOM 942 N ASN A 64 -13.686 11.455 -6.613 1.00 0.00 N ATOM 943 CA ASN A 64 -14.293 12.202 -5.518 1.00 0.00 C ATOM 944 C ASN A 64 -14.744 11.263 -4.402 1.00 0.00 C ATOM 945 O ASN A 64 -15.812 11.447 -3.815 1.00 0.00 O ATOM 946 CB ASN A 64 -15.486 13.016 -6.028 1.00 0.00 C ATOM 947 CG ASN A 64 -15.251 13.577 -7.417 1.00 0.00 C ATOM 948 OD1 ASN A 64 -14.923 14.752 -7.576 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.420 12.735 -8.431 1.00 0.00 N ATOM 0 H ASN A 64 -12.890 11.919 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.542 12.882 -5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.375 12.385 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.686 13.835 -5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.277 13.055 -9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.693 11.769 -8.251 1.00 0.00 H new ATOM 956 N LEU A 65 -13.924 10.260 -4.115 1.00 0.00 N ATOM 957 CA LEU A 65 -14.236 9.292 -3.069 1.00 0.00 C ATOM 958 C LEU A 65 -14.791 9.988 -1.831 1.00 0.00 C ATOM 959 O LEU A 65 -14.674 11.205 -1.686 1.00 0.00 O ATOM 960 CB LEU A 65 -12.987 8.489 -2.700 1.00 0.00 C ATOM 961 CG LEU A 65 -12.588 7.383 -3.676 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.082 7.170 -3.654 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.316 6.089 -3.344 1.00 0.00 C ATOM 0 H LEU A 65 -13.037 10.095 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.997 8.612 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.150 9.181 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.144 8.041 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.877 7.691 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.816 6.379 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.580 8.094 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.770 6.885 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.019 5.313 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.059 5.776 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.392 6.249 -3.412 1.00 0.00 H new ATOM 975 N ASN A 66 -15.395 9.209 -0.940 1.00 0.00 N ATOM 976 CA ASN A 66 -15.967 9.750 0.287 1.00 0.00 C ATOM 977 C ASN A 66 -15.918 8.720 1.412 1.00 0.00 C ATOM 978 O ASN A 66 -15.692 7.534 1.171 1.00 0.00 O ATOM 979 CB ASN A 66 -17.412 10.193 0.049 1.00 0.00 C ATOM 980 CG ASN A 66 -18.123 9.321 -0.969 1.00 0.00 C ATOM 981 OD1 ASN A 66 -17.929 9.472 -2.175 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.953 8.404 -0.485 1.00 0.00 N ATOM 0 H ASN A 66 -15.501 8.200 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.373 10.614 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.958 10.165 0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.420 11.228 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.461 7.789 -1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.083 8.315 0.523 1.00 0.00 H new ATOM 989 N ASP A 67 -16.131 9.182 2.638 1.00 0.00 N ATOM 990 CA ASP A 67 -16.113 8.302 3.801 1.00 0.00 C ATOM 991 C ASP A 67 -16.769 6.963 3.478 1.00 0.00 C ATOM 992 O ASP A 67 -16.445 5.940 4.083 1.00 0.00 O ATOM 993 CB ASP A 67 -16.827 8.963 4.981 1.00 0.00 C ATOM 994 CG ASP A 67 -16.265 8.523 6.319 1.00 0.00 C ATOM 995 OD1 ASP A 67 -16.406 7.329 6.657 1.00 0.00 O ATOM 996 OD2 ASP A 67 -15.686 9.374 7.027 1.00 0.00 O ATOM 0 H ASP A 67 -16.318 10.161 2.853 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.073 8.121 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.742 10.046 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.889 8.723 4.940 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.693 6.977 2.525 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.396 5.765 2.122 1.00 0.00 C ATOM 1003 C ASP A 68 -17.554 4.948 1.146 1.00 0.00 C ATOM 1004 O ASP A 68 -17.149 3.826 1.450 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.740 6.117 1.484 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.735 4.975 1.562 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.568 4.101 2.439 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.680 4.955 0.746 1.00 0.00 O ATOM 0 H ASP A 68 -17.973 7.815 2.016 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.573 5.164 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.157 6.993 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.583 6.388 0.440 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.297 5.518 -0.026 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.505 4.841 -1.046 1.00 0.00 C ATOM 1015 C GLU A 69 -15.116 4.497 -0.517 1.00 0.00 C ATOM 1016 O GLU A 69 -14.677 3.348 -0.594 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.385 5.718 -2.296 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.723 6.193 -2.836 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.405 5.153 -3.702 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.273 3.949 -3.398 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -19.072 5.542 -4.683 1.00 0.00 O ATOM 0 H GLU A 69 -17.625 6.446 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.014 3.914 -1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.768 6.586 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.867 5.158 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.376 6.451 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.574 7.103 -3.417 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.428 5.499 0.018 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.089 5.306 0.561 1.00 0.00 C ATOM 1030 C LYS A 70 -13.000 3.993 1.334 1.00 0.00 C ATOM 1031 O LYS A 70 -12.048 3.227 1.169 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.711 6.474 1.474 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.667 7.814 0.761 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.230 8.929 1.695 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.589 10.077 0.930 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.491 11.310 1.760 1.00 0.00 N ATOM 0 H LYS A 70 -14.776 6.455 0.087 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.389 5.265 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.428 6.531 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.735 6.276 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.980 7.755 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.652 8.044 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.092 9.297 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.522 8.537 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.593 9.782 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.173 10.288 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.445 12.143 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.327 11.382 2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.633 11.267 2.346 1.00 0.00 H new ATOM 1050 N LEU A 71 -13.996 3.739 2.174 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.031 2.517 2.972 1.00 0.00 C ATOM 1052 C LEU A 71 -14.004 1.282 2.077 1.00 0.00 C ATOM 1053 O LEU A 71 -13.149 0.412 2.230 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.281 2.496 3.853 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.560 1.186 4.590 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.406 0.839 5.518 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -16.864 1.279 5.369 1.00 0.00 C ATOM 0 H LEU A 71 -14.790 4.362 2.321 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.146 2.501 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.195 3.294 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.144 2.730 3.230 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.657 0.390 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.623 -0.096 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.491 0.729 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.276 1.636 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.046 0.338 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -16.796 2.087 6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.685 1.479 4.681 1.00 0.00 H new ATOM 1069 N ASN A 72 -14.947 1.214 1.142 1.00 0.00 N ATOM 1070 CA ASN A 72 -15.030 0.086 0.221 1.00 0.00 C ATOM 1071 C ASN A 72 -13.670 -0.205 -0.407 1.00 0.00 C ATOM 1072 O ASN A 72 -13.319 -1.360 -0.642 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.060 0.371 -0.874 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.446 0.621 -0.313 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.273 -0.290 -0.239 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.708 1.860 0.086 1.00 0.00 N ATOM 0 H ASN A 72 -15.664 1.926 1.002 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.344 -0.791 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.742 1.240 -1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.097 -0.473 -1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.624 2.088 0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.993 2.583 0.006 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.911 0.851 -0.675 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.589 0.710 -1.277 1.00 0.00 C ATOM 1085 C ASN A 73 -10.605 0.096 -0.286 1.00 0.00 C ATOM 1086 O ASN A 73 -9.775 -0.735 -0.654 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.072 2.070 -1.750 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.541 2.410 -3.151 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.252 1.631 -3.787 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.145 3.579 -3.641 1.00 0.00 N ATOM 0 H ASN A 73 -13.187 1.814 -0.485 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.677 0.045 -2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.408 2.844 -1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.982 2.071 -1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.430 3.862 -4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.556 4.194 -3.080 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.702 0.512 0.973 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.824 0.001 2.016 1.00 0.00 C ATOM 1099 C ALA A 74 -10.053 -1.488 2.249 1.00 0.00 C ATOM 1100 O ALA A 74 -9.108 -2.276 2.283 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.031 0.777 3.308 1.00 0.00 C ATOM 0 H ALA A 74 -11.381 1.202 1.294 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.794 0.135 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.368 0.384 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.807 1.830 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.066 0.673 3.633 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.317 -1.868 2.409 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.673 -3.264 2.639 1.00 0.00 C ATOM 1109 C LYS A 75 -11.175 -4.147 1.498 1.00 0.00 C ATOM 1110 O LYS A 75 -10.662 -5.243 1.728 1.00 0.00 O ATOM 1111 CB LYS A 75 -13.190 -3.407 2.784 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.765 -2.631 3.956 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.261 -2.854 4.093 1.00 0.00 C ATOM 1114 CE LYS A 75 -16.019 -2.299 2.896 1.00 0.00 C ATOM 1115 NZ LYS A 75 -17.492 -2.350 3.102 1.00 0.00 N ATOM 0 H LYS A 75 -12.112 -1.229 2.384 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.194 -3.589 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.668 -3.068 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.437 -4.462 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.265 -2.936 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.566 -1.568 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.464 -3.921 4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.619 -2.377 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.712 -1.268 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.757 -2.868 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.973 -1.963 2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.788 -3.336 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.745 -1.786 3.938 1.00 0.00 H new ATOM 1129 N TYR A 76 -11.329 -3.663 0.272 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.896 -4.409 -0.904 1.00 0.00 C ATOM 1131 C TYR A 76 -9.374 -4.488 -0.968 1.00 0.00 C ATOM 1132 O TYR A 76 -8.803 -5.569 -1.115 1.00 0.00 O ATOM 1133 CB TYR A 76 -11.439 -3.755 -2.176 1.00 0.00 C ATOM 1134 CG TYR A 76 -11.004 -4.452 -3.446 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.661 -5.590 -3.897 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.938 -3.971 -4.196 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.268 -6.231 -5.056 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.538 -4.604 -5.357 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.207 -5.733 -5.783 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.810 -6.367 -6.939 1.00 0.00 O ATOM 0 H TYR A 76 -11.750 -2.757 0.066 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.291 -5.422 -0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.528 -3.743 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.110 -2.716 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.494 -5.981 -3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.413 -3.087 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.788 -7.116 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.707 -4.217 -5.928 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.831 -6.412 -6.968 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.723 -3.335 -0.858 1.00 0.00 N ATOM 1151 CA ALA A 77 -7.267 -3.273 -0.901 1.00 0.00 C ATOM 1152 C ALA A 77 -6.645 -4.310 0.029 1.00 0.00 C ATOM 1153 O ALA A 77 -5.917 -5.198 -0.417 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.787 -1.876 -0.531 1.00 0.00 C ATOM 0 H ALA A 77 -9.180 -2.431 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.949 -3.498 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.698 -1.844 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.195 -1.152 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.124 -1.630 0.476 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.937 -4.192 1.319 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.407 -5.120 2.310 1.00 0.00 C ATOM 1162 C ILE A 78 -6.602 -6.566 1.868 1.00 0.00 C ATOM 1163 O ILE A 78 -5.709 -7.399 2.022 1.00 0.00 O ATOM 1164 CB ILE A 78 -7.074 -4.920 3.683 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.865 -3.485 4.171 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.519 -5.915 4.691 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.713 -3.126 5.372 1.00 0.00 C ATOM 0 H ILE A 78 -7.538 -3.463 1.703 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.341 -4.910 2.400 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.145 -5.096 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.814 -3.345 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.092 -2.796 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.000 -5.761 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.715 -6.930 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.444 -5.768 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.513 -2.095 5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.768 -3.234 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.470 -3.791 6.201 1.00 0.00 H new ATOM 1179 N SER A 79 -7.776 -6.857 1.317 1.00 0.00 N ATOM 1180 CA SER A 79 -8.090 -8.204 0.854 1.00 0.00 C ATOM 1181 C SER A 79 -7.012 -8.717 -0.096 1.00 0.00 C ATOM 1182 O SER A 79 -6.479 -9.811 0.085 1.00 0.00 O ATOM 1183 CB SER A 79 -9.452 -8.221 0.156 1.00 0.00 C ATOM 1184 OG SER A 79 -9.974 -9.537 0.090 1.00 0.00 O ATOM 0 H SER A 79 -8.525 -6.179 1.180 1.00 0.00 H new ATOM 0 HA SER A 79 -8.126 -8.861 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.148 -7.577 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.354 -7.814 -0.851 1.00 0.00 H new ATOM 0 HG SER A 79 -10.845 -9.521 -0.359 1.00 0.00 H new ATOM 1190 N MET A 80 -6.697 -7.918 -1.111 1.00 0.00 N ATOM 1191 CA MET A 80 -5.682 -8.290 -2.089 1.00 0.00 C ATOM 1192 C MET A 80 -4.386 -8.702 -1.399 1.00 0.00 C ATOM 1193 O MET A 80 -3.785 -9.721 -1.742 1.00 0.00 O ATOM 1194 CB MET A 80 -5.415 -7.127 -3.047 1.00 0.00 C ATOM 1195 CG MET A 80 -6.309 -7.134 -4.276 1.00 0.00 C ATOM 1196 SD MET A 80 -8.052 -7.349 -3.867 1.00 0.00 S ATOM 1197 CE MET A 80 -8.420 -8.868 -4.743 1.00 0.00 C ATOM 0 H MET A 80 -7.130 -7.010 -1.277 1.00 0.00 H new ATOM 0 HA MET A 80 -6.057 -9.141 -2.657 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.554 -6.187 -2.512 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.373 -7.161 -3.366 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.180 -6.198 -4.819 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.995 -7.936 -4.944 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.466 -9.134 -4.587 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.236 -8.727 -5.808 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.782 -9.668 -4.367 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.960 -7.906 -0.424 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.737 -8.190 0.315 1.00 0.00 C ATOM 1209 C ALA A 81 -2.658 -9.663 0.701 1.00 0.00 C ATOM 1210 O ALA A 81 -1.628 -10.310 0.509 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.654 -7.312 1.555 1.00 0.00 C ATOM 0 H ALA A 81 -4.445 -7.059 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.890 -7.966 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.735 -7.535 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.655 -6.263 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.512 -7.508 2.198 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.752 -10.187 1.245 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.804 -11.583 1.660 1.00 0.00 C ATOM 1219 C ARG A 82 -3.826 -12.510 0.448 1.00 0.00 C ATOM 1220 O ARG A 82 -3.153 -13.541 0.428 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.039 -11.834 2.527 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.152 -13.264 3.029 1.00 0.00 C ATOM 1223 CD ARG A 82 -4.358 -13.470 4.309 1.00 0.00 C ATOM 1224 NE ARG A 82 -4.414 -14.854 4.771 1.00 0.00 N ATOM 1225 CZ ARG A 82 -5.414 -15.348 5.493 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -6.435 -14.574 5.833 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -5.393 -16.617 5.877 1.00 0.00 N ATOM 0 H ARG A 82 -4.613 -9.666 1.408 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.908 -11.795 2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.015 -11.159 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.932 -11.588 1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.200 -13.507 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.792 -13.949 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.319 -13.186 4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.747 -12.812 5.086 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.643 -15.476 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.454 -13.597 5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.202 -14.955 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.608 -17.215 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.161 -16.995 6.431 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.603 -12.135 -0.564 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.712 -12.930 -1.780 1.00 0.00 C ATOM 1243 C LYS A 83 -3.337 -13.195 -2.384 1.00 0.00 C ATOM 1244 O LYS A 83 -3.008 -14.331 -2.730 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.600 -12.217 -2.803 1.00 0.00 C ATOM 1246 CG LYS A 83 -7.071 -12.578 -2.688 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.692 -11.994 -1.431 1.00 0.00 C ATOM 1248 CE LYS A 83 -8.834 -12.859 -0.920 1.00 0.00 C ATOM 1249 NZ LYS A 83 -8.345 -13.976 -0.065 1.00 0.00 N ATOM 0 H LYS A 83 -5.166 -11.285 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.165 -13.886 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.488 -11.140 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.252 -12.461 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.606 -12.211 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.181 -13.662 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.930 -11.901 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.060 -10.989 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.529 -12.243 -0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.388 -13.265 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.154 -14.542 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.701 -14.579 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.838 -13.588 0.756 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.536 -12.141 -2.505 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.195 -12.261 -3.063 1.00 0.00 C ATOM 1265 C ILE A 84 -0.268 -13.008 -2.111 1.00 0.00 C ATOM 1266 O ILE A 84 0.718 -13.612 -2.533 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.589 -10.879 -3.373 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.576 -10.010 -2.114 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.368 -10.197 -4.487 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.251 -8.751 -2.257 1.00 0.00 C ATOM 0 H ILE A 84 -2.793 -11.195 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.289 -12.825 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 84 0.439 -11.016 -3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.600 -9.735 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.189 -10.597 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.928 -9.222 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.330 -10.811 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.406 -10.069 -4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.215 -8.184 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.284 -9.018 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.149 -8.143 -3.068 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.592 -12.966 -0.822 1.00 0.00 N ATOM 1283 CA GLY A 85 0.220 -13.644 0.170 1.00 0.00 C ATOM 1284 C GLY A 85 0.883 -12.681 1.135 1.00 0.00 C ATOM 1285 O GLY A 85 2.018 -12.257 0.917 1.00 0.00 O ATOM 0 H GLY A 85 -1.403 -12.474 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.403 -14.342 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.986 -14.233 -0.334 1.00 0.00 H new ATOM 1289 N ALA A 86 0.173 -12.333 2.202 1.00 0.00 N ATOM 1290 CA ALA A 86 0.699 -11.412 3.203 1.00 0.00 C ATOM 1291 C ALA A 86 -0.250 -11.292 4.391 1.00 0.00 C ATOM 1292 O ALA A 86 -1.327 -10.707 4.279 1.00 0.00 O ATOM 1293 CB ALA A 86 0.950 -10.046 2.584 1.00 0.00 C ATOM 0 H ALA A 86 -0.768 -12.675 2.396 1.00 0.00 H new ATOM 0 HA ALA A 86 1.645 -11.812 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.342 -9.369 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.673 -10.141 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.015 -9.647 2.191 1.00 0.00 H new ATOM 1299 N ARG A 87 0.158 -11.849 5.527 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.658 -11.804 6.734 1.00 0.00 C ATOM 1301 C ARG A 87 -0.609 -10.419 7.373 1.00 0.00 C ATOM 1302 O ARG A 87 0.279 -10.125 8.174 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.181 -12.858 7.736 1.00 0.00 C ATOM 1304 CG ARG A 87 -0.298 -14.283 7.223 1.00 0.00 C ATOM 1305 CD ARG A 87 -0.407 -15.280 8.366 1.00 0.00 C ATOM 1306 NE ARG A 87 0.904 -15.682 8.868 1.00 0.00 N ATOM 1307 CZ ARG A 87 1.097 -16.233 10.062 1.00 0.00 C ATOM 1308 NH1 ARG A 87 0.069 -16.445 10.871 1.00 0.00 N ATOM 1309 NH2 ARG A 87 2.321 -16.572 10.448 1.00 0.00 N ATOM 0 H ARG A 87 1.048 -12.336 5.636 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.689 -12.019 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.859 -12.658 7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.761 -12.763 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.174 -14.368 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.572 -14.523 6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.986 -14.839 9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.952 -16.161 8.028 1.00 0.00 H new ATOM 0 HE ARG A 87 1.716 -15.532 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.873 -16.185 10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.220 -16.868 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.115 -16.410 9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.468 -16.995 11.365 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.567 -9.573 7.013 1.00 0.00 N ATOM 1324 CA VAL A 88 -1.633 -8.219 7.550 1.00 0.00 C ATOM 1325 C VAL A 88 -2.672 -8.120 8.662 1.00 0.00 C ATOM 1326 O VAL A 88 -3.741 -8.725 8.584 1.00 0.00 O ATOM 1327 CB VAL A 88 -1.974 -7.194 6.452 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.383 -7.423 5.926 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -1.817 -5.776 6.980 1.00 0.00 C ATOM 0 H VAL A 88 -2.309 -9.801 6.351 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.647 -7.991 7.955 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.277 -7.329 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.606 -6.689 5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.456 -8.427 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.098 -7.317 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.062 -5.065 6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.489 -5.626 7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.788 -5.620 7.303 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.350 -7.352 9.698 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.254 -7.174 10.828 1.00 0.00 C ATOM 1341 C TYR A 89 -3.649 -5.709 10.984 1.00 0.00 C ATOM 1342 O TYR A 89 -3.206 -5.031 11.911 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.600 -7.678 12.115 1.00 0.00 C ATOM 1344 CG TYR A 89 -3.586 -7.953 13.228 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.621 -8.865 13.057 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -3.482 -7.303 14.451 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.525 -9.119 14.069 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -4.381 -7.552 15.471 1.00 0.00 C ATOM 1349 CZ TYR A 89 -5.400 -8.460 15.275 1.00 0.00 C ATOM 1350 OH TYR A 89 -6.298 -8.710 16.288 1.00 0.00 O ATOM 0 H TYR A 89 -1.470 -6.843 9.778 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.156 -7.755 10.635 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.046 -8.591 11.898 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.875 -6.940 12.457 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.720 -9.384 12.115 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.685 -6.591 14.608 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.325 -9.829 13.918 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.286 -7.038 16.416 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.069 -8.166 17.070 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.487 -5.228 10.072 1.00 0.00 N ATOM 1361 CA ALA A 90 -4.944 -3.844 10.109 1.00 0.00 C ATOM 1362 C ALA A 90 -6.444 -3.755 9.849 1.00 0.00 C ATOM 1363 O ALA A 90 -7.107 -4.768 9.625 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.179 -3.008 9.094 1.00 0.00 C ATOM 0 H ALA A 90 -4.863 -5.776 9.298 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.751 -3.449 11.107 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.531 -1.977 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.115 -3.037 9.327 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.343 -3.410 8.094 1.00 0.00 H new ATOM 1370 N LEU A 91 -6.974 -2.537 9.880 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.397 -2.315 9.648 1.00 0.00 C ATOM 1372 C LEU A 91 -8.614 -1.272 8.555 1.00 0.00 C ATOM 1373 O LEU A 91 -7.983 -0.216 8.537 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.081 -1.867 10.940 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.602 -2.012 10.980 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -10.993 -3.464 11.210 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.195 -1.120 12.061 1.00 0.00 C ATOM 0 H LEU A 91 -6.439 -1.688 10.064 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.838 -3.256 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.660 -2.438 11.767 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.831 -0.821 11.116 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.004 -1.697 10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.079 -3.549 11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.600 -4.079 10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.580 -3.806 12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.279 -1.236 12.075 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.787 -1.404 13.031 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.944 -0.080 11.852 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.530 -1.575 7.623 1.00 0.00 N ATOM 1390 CA PRO A 92 -9.854 -0.676 6.512 1.00 0.00 C ATOM 1391 C PRO A 92 -10.595 0.574 6.974 1.00 0.00 C ATOM 1392 O PRO A 92 -10.450 1.645 6.386 1.00 0.00 O ATOM 1393 CB PRO A 92 -10.754 -1.529 5.616 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.360 -2.535 6.534 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.319 -2.818 7.582 1.00 0.00 C ATOM 0 HA PRO A 92 -8.958 -0.307 6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.520 -0.923 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.181 -2.011 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.274 -2.150 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.629 -3.444 5.995 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.772 -3.039 8.549 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.703 -3.677 7.315 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.386 0.430 8.032 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.150 1.549 8.573 1.00 0.00 C ATOM 1405 C GLU A 93 -11.227 2.703 8.953 1.00 0.00 C ATOM 1406 O GLU A 93 -11.538 3.868 8.704 1.00 0.00 O ATOM 1407 CB GLU A 93 -12.956 1.102 9.794 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.175 0.265 9.446 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.005 -0.091 10.665 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.226 0.798 11.513 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -15.433 -1.259 10.769 1.00 0.00 O ATOM 0 H GLU A 93 -11.515 -0.450 8.532 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.837 1.895 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.308 0.527 10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.277 1.983 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.795 0.811 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.853 -0.651 8.950 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.092 2.371 9.556 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.123 3.380 9.971 1.00 0.00 C ATOM 1420 C ASP A 94 -8.328 3.893 8.774 1.00 0.00 C ATOM 1421 O ASP A 94 -8.033 5.085 8.676 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.173 2.803 11.021 1.00 0.00 C ATOM 1423 CG ASP A 94 -8.879 2.468 12.320 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -10.026 1.978 12.260 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.286 2.696 13.395 1.00 0.00 O ATOM 0 H ASP A 94 -9.819 1.411 9.769 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.669 4.216 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.702 1.904 10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.376 3.520 11.219 1.00 0.00 H new ATOM 1430 N LEU A 95 -7.982 2.985 7.868 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.218 3.346 6.677 1.00 0.00 C ATOM 1432 C LEU A 95 -7.868 4.519 5.949 1.00 0.00 C ATOM 1433 O LEU A 95 -7.182 5.426 5.479 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.108 2.145 5.736 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.598 2.443 4.325 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.170 2.965 4.373 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.684 1.198 3.453 1.00 0.00 C ATOM 0 H LEU A 95 -8.217 1.995 7.934 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.219 3.646 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.445 1.410 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.091 1.681 5.655 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.230 3.214 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.824 3.172 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.137 3.882 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.524 2.216 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.317 1.428 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.076 0.406 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.721 0.867 3.392 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.194 4.494 5.862 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.936 5.557 5.194 1.00 0.00 C ATOM 1451 C VAL A 96 -9.430 6.931 5.618 1.00 0.00 C ATOM 1452 O VAL A 96 -9.218 7.810 4.784 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.444 5.462 5.493 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.173 6.685 4.958 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -12.025 4.186 4.904 1.00 0.00 C ATOM 0 H VAL A 96 -9.776 3.750 6.246 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.777 5.430 4.123 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.580 5.431 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.237 6.600 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.775 7.582 5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.030 6.751 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.091 4.136 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.878 4.184 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.523 3.322 5.340 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.239 7.108 6.922 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.757 8.376 7.457 1.00 0.00 C ATOM 1467 C GLU A 97 -7.238 8.363 7.606 1.00 0.00 C ATOM 1468 O GLU A 97 -6.692 8.907 8.567 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.410 8.665 8.810 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.917 8.847 8.732 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.520 9.294 10.050 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.475 8.509 11.020 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.036 10.430 10.110 1.00 0.00 O ATOM 0 H GLU A 97 -9.410 6.390 7.626 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.029 9.164 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.186 7.847 9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.965 9.565 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.151 9.582 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.377 7.907 8.426 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.561 7.735 6.650 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.106 7.651 6.673 1.00 0.00 C ATOM 1482 C VAL A 98 -4.586 7.531 8.101 1.00 0.00 C ATOM 1483 O VAL A 98 -3.723 8.300 8.525 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.461 8.879 6.004 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.952 8.715 5.927 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.053 9.105 4.621 1.00 0.00 C ATOM 0 H VAL A 98 -6.997 7.277 5.850 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.832 6.757 6.113 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.675 9.757 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.514 9.593 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.546 8.607 6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.712 7.827 5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.586 9.977 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.872 8.228 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.127 9.273 4.708 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.115 6.560 8.838 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.704 6.339 10.220 1.00 0.00 C ATOM 1498 C ASN A 99 -3.431 5.499 10.281 1.00 0.00 C ATOM 1499 O ASN A 99 -3.405 4.337 9.879 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.822 5.648 11.003 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.762 6.637 11.662 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.445 7.214 12.702 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.928 6.838 11.058 1.00 0.00 N ATOM 0 H ASN A 99 -5.829 5.914 8.502 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.500 7.310 10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.389 5.005 10.330 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.384 5.004 11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.602 7.493 11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.149 6.338 10.197 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.349 6.102 10.797 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.054 5.428 10.924 1.00 0.00 C ATOM 1512 C PRO A 100 -1.071 4.333 11.985 1.00 0.00 C ATOM 1513 O PRO A 100 -0.064 3.666 12.220 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.105 6.557 11.336 1.00 0.00 C ATOM 1515 CG PRO A 100 -0.981 7.564 12.000 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.308 7.486 11.296 1.00 0.00 C ATOM 0 HA PRO A 100 -0.765 4.925 10.001 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.669 6.197 12.014 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.403 6.983 10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.089 7.347 13.063 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.555 8.564 11.921 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.136 7.693 11.975 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.374 8.208 10.483 1.00 0.00 H new ATOM 1524 N LYS A 101 -2.222 4.153 12.624 1.00 0.00 N ATOM 1525 CA LYS A 101 -2.372 3.138 13.661 1.00 0.00 C ATOM 1526 C LYS A 101 -2.429 1.742 13.049 1.00 0.00 C ATOM 1527 O LYS A 101 -1.930 0.779 13.633 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.639 3.400 14.479 1.00 0.00 C ATOM 1529 CG LYS A 101 -3.665 4.768 15.138 1.00 0.00 C ATOM 1530 CD LYS A 101 -2.542 4.921 16.150 1.00 0.00 C ATOM 1531 CE LYS A 101 -2.836 6.035 17.144 1.00 0.00 C ATOM 1532 NZ LYS A 101 -3.959 5.682 18.056 1.00 0.00 N ATOM 0 H LYS A 101 -3.065 4.697 12.442 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.504 3.193 14.319 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.508 3.303 13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.730 2.633 15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.577 5.542 14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.625 4.916 15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.402 3.982 16.685 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.608 5.133 15.630 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.942 6.242 17.732 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.081 6.949 16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.906 6.267 18.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.865 5.855 17.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.892 4.678 18.317 1.00 0.00 H new ATOM 1546 N MET A 102 -3.035 1.640 11.872 1.00 0.00 N ATOM 1547 CA MET A 102 -3.153 0.361 11.181 1.00 0.00 C ATOM 1548 C MET A 102 -2.169 0.279 10.019 1.00 0.00 C ATOM 1549 O MET A 102 -1.613 -0.783 9.738 1.00 0.00 O ATOM 1550 CB MET A 102 -4.582 0.163 10.670 1.00 0.00 C ATOM 1551 CG MET A 102 -5.631 0.203 11.769 1.00 0.00 C ATOM 1552 SD MET A 102 -5.515 -1.204 12.891 1.00 0.00 S ATOM 1553 CE MET A 102 -5.761 -0.398 14.472 1.00 0.00 C ATOM 0 H MET A 102 -3.452 2.427 11.376 1.00 0.00 H new ATOM 0 HA MET A 102 -2.916 -0.431 11.891 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.807 0.937 9.936 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.645 -0.795 10.153 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.521 1.126 12.338 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.623 0.223 11.318 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.716 -1.140 15.269 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.981 0.347 14.626 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.736 0.090 14.484 1.00 0.00 H new ATOM 1563 N VAL A 103 -1.959 1.405 9.345 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.041 1.459 8.214 1.00 0.00 C ATOM 1565 C VAL A 103 0.320 0.880 8.582 1.00 0.00 C ATOM 1566 O VAL A 103 1.125 0.558 7.709 1.00 0.00 O ATOM 1567 CB VAL A 103 -0.853 2.904 7.712 1.00 0.00 C ATOM 1568 CG1 VAL A 103 0.194 2.954 6.611 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.178 3.475 7.227 1.00 0.00 C ATOM 0 H VAL A 103 -2.412 2.292 9.563 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.484 0.860 7.418 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.501 3.517 8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.313 3.982 6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.145 2.587 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.125 2.329 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.028 4.496 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.561 2.863 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.896 3.475 8.047 1.00 0.00 H new ATOM 1579 N MET A 104 0.569 0.749 9.881 1.00 0.00 N ATOM 1580 CA MET A 104 1.834 0.206 10.365 1.00 0.00 C ATOM 1581 C MET A 104 2.064 -1.201 9.823 1.00 0.00 C ATOM 1582 O MET A 104 3.193 -1.579 9.507 1.00 0.00 O ATOM 1583 CB MET A 104 1.852 0.186 11.894 1.00 0.00 C ATOM 1584 CG MET A 104 0.721 -0.625 12.505 1.00 0.00 C ATOM 1585 SD MET A 104 1.142 -1.297 14.123 1.00 0.00 S ATOM 1586 CE MET A 104 0.121 -2.769 14.155 1.00 0.00 C ATOM 0 H MET A 104 -0.087 1.011 10.617 1.00 0.00 H new ATOM 0 HA MET A 104 2.638 0.849 10.008 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.804 -0.222 12.233 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.794 1.210 12.263 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.164 0.005 12.597 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.462 -1.443 11.833 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.271 -3.295 15.098 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.928 -2.487 14.060 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.398 -3.422 13.327 1.00 0.00 H new ATOM 1596 N THR A 105 0.988 -1.973 9.717 1.00 0.00 N ATOM 1597 CA THR A 105 1.072 -3.339 9.215 1.00 0.00 C ATOM 1598 C THR A 105 0.722 -3.402 7.733 1.00 0.00 C ATOM 1599 O THR A 105 1.242 -4.242 6.997 1.00 0.00 O ATOM 1600 CB THR A 105 0.136 -4.283 9.993 1.00 0.00 C ATOM 1601 OG1 THR A 105 0.209 -5.604 9.446 1.00 0.00 O ATOM 1602 CG2 THR A 105 -1.300 -3.784 9.941 1.00 0.00 C ATOM 0 H THR A 105 0.046 -1.675 9.972 1.00 0.00 H new ATOM 0 HA THR A 105 2.103 -3.665 9.357 1.00 0.00 H new ATOM 0 HB THR A 105 0.458 -4.304 11.034 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.375 -6.248 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.943 -4.466 10.497 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.356 -2.790 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.632 -3.737 8.904 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.162 -2.509 7.299 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.580 -2.462 5.903 1.00 0.00 C ATOM 1612 C VAL A 106 0.624 -2.456 4.968 1.00 0.00 C ATOM 1613 O VAL A 106 0.749 -3.312 4.094 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.445 -1.221 5.618 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.810 -1.151 4.143 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.696 -1.232 6.484 1.00 0.00 C ATOM 0 H VAL A 106 -0.603 -1.808 7.895 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.173 -3.358 5.720 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.866 -0.332 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.421 -0.267 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.900 -1.092 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.370 -2.043 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.295 -0.347 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.280 -2.127 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.410 -1.230 7.536 1.00 0.00 H new ATOM 1626 N PHE A 107 1.509 -1.483 5.160 1.00 0.00 N ATOM 1627 CA PHE A 107 2.705 -1.363 4.334 1.00 0.00 C ATOM 1628 C PHE A 107 3.755 -2.390 4.745 1.00 0.00 C ATOM 1629 O PHE A 107 4.308 -3.099 3.905 1.00 0.00 O ATOM 1630 CB PHE A 107 3.286 0.048 4.441 1.00 0.00 C ATOM 1631 CG PHE A 107 2.691 1.017 3.460 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.605 0.695 2.115 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.218 2.249 3.882 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.059 1.585 1.209 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.671 3.143 2.981 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.590 2.811 1.643 1.00 0.00 C ATOM 0 H PHE A 107 1.420 -0.766 5.880 1.00 0.00 H new ATOM 0 HA PHE A 107 2.421 -1.554 3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.126 0.423 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.364 0.001 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.969 -0.262 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.277 2.514 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.999 1.323 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.307 4.101 3.323 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.161 3.507 0.937 1.00 0.00 H new ATOM 1646 N ALA A 108 4.025 -2.464 6.045 1.00 0.00 N ATOM 1647 CA ALA A 108 5.008 -3.405 6.569 1.00 0.00 C ATOM 1648 C ALA A 108 4.959 -4.727 5.812 1.00 0.00 C ATOM 1649 O ALA A 108 5.952 -5.148 5.216 1.00 0.00 O ATOM 1650 CB ALA A 108 4.776 -3.635 8.055 1.00 0.00 C ATOM 0 H ALA A 108 3.577 -1.884 6.754 1.00 0.00 H new ATOM 0 HA ALA A 108 5.999 -2.974 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.516 -4.339 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.869 -2.689 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.776 -4.042 8.209 1.00 0.00 H new ATOM 1656 N CYS A 109 3.802 -5.378 5.839 1.00 0.00 N ATOM 1657 CA CYS A 109 3.626 -6.655 5.156 1.00 0.00 C ATOM 1658 C CYS A 109 4.134 -6.577 3.720 1.00 0.00 C ATOM 1659 O CYS A 109 4.757 -7.514 3.220 1.00 0.00 O ATOM 1660 CB CYS A 109 2.152 -7.063 5.168 1.00 0.00 C ATOM 1661 SG CYS A 109 1.621 -7.866 6.699 1.00 0.00 S ATOM 0 H CYS A 109 2.971 -5.043 6.327 1.00 0.00 H new ATOM 0 HA CYS A 109 4.208 -7.408 5.687 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.539 -6.177 5.004 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.966 -7.738 4.333 1.00 0.00 H new ATOM 0 HG CYS A 109 1.132 -6.975 7.509 1.00 0.00 H new ATOM 1667 N LEU A 110 3.861 -5.456 3.062 1.00 0.00 N ATOM 1668 CA LEU A 110 4.289 -5.257 1.681 1.00 0.00 C ATOM 1669 C LEU A 110 5.760 -4.859 1.619 1.00 0.00 C ATOM 1670 O LEU A 110 6.606 -5.639 1.182 1.00 0.00 O ATOM 1671 CB LEU A 110 3.430 -4.182 1.011 1.00 0.00 C ATOM 1672 CG LEU A 110 1.927 -4.457 0.965 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.157 -3.169 0.719 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.604 -5.486 -0.107 1.00 0.00 C ATOM 0 H LEU A 110 3.346 -4.671 3.461 1.00 0.00 H new ATOM 0 HA LEU A 110 4.164 -6.199 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.591 -3.239 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.786 -4.045 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 110 1.622 -4.861 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.089 -3.384 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.363 -2.463 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.467 -2.736 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.530 -5.668 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.924 -5.111 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.127 -6.417 0.113 1.00 0.00 H new