USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 696 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 15 SER OG : rot -61:sc= 0.251 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0704 K(o=0.82,f=0.063) USER MOD Set 1.3: A 56 SER OG : rot 177:sc= 0.653 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc=-0.00437 F(o=-2,f=0.82) USER MOD Set 1.5: A 89 MET CE :methyl 137:sc= -0.0116 (180deg=-0.0281) USER MOD Set 1.6: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 GLN : amide:sc= -0.831 X(o=-4.7,f=-4.7) USER MOD Set 2.2: A 53 ASN : amide:sc= -3.88! C(o=-4.7!,f=-7.2!) USER MOD Set 3.1: A 34 TYR OH : rot 58:sc= 0.429 USER MOD Set 3.2: A 40 SER OG : rot -25:sc= 0.812 USER MOD Set 4.1: A 10 ASN : amide:sc= -0.371 X(o=0.14,f=0.51) USER MOD Set 4.2: A 62 SER OG : rot -38:sc= 0.514 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -82:sc= 0.508 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 90:sc= 1.27 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 91:sc= 1.26 USER MOD Single : A 33 MET CE :methyl -169:sc= -1.54 (180deg=-1.98) USER MOD Single : A 36 MET CE :methyl 173:sc= -0.959 (180deg=-0.994) USER MOD Single : A 37 ASN :FLIP amide:sc= 0.291 F(o=-0.86,f=0.29) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 162:sc= -1.87! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -123:sc= 1.35 (180deg=-0.655) USER MOD Single : A 76 CYS SG : rot -32:sc= -2.22! USER MOD Single : A 90 THR OG1 : rot 143:sc= 1.45 USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.254 -3.509 -22.351 1.00 0.00 N ATOM 123 CA PHE A 9 -0.134 -2.567 -23.393 1.00 0.00 C ATOM 124 C PHE A 9 -1.018 -3.033 -24.502 1.00 0.00 C ATOM 125 O PHE A 9 -0.842 -4.128 -25.028 1.00 0.00 O ATOM 126 CB PHE A 9 1.308 -2.450 -23.863 1.00 0.00 C ATOM 127 CG PHE A 9 2.230 -1.795 -22.875 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.723 -2.495 -21.783 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.611 -0.476 -23.050 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.576 -1.889 -20.886 1.00 0.00 C ATOM 131 CE2 PHE A 9 3.468 0.134 -22.158 1.00 0.00 C ATOM 132 CZ PHE A 9 3.953 -0.575 -21.075 1.00 0.00 C ATOM 0 HA PHE A 9 -0.431 -1.576 -23.050 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.686 -3.447 -24.089 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.329 -1.883 -24.793 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.435 -3.525 -21.634 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.233 0.082 -23.894 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.949 -2.442 -20.036 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.760 1.163 -22.305 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.627 -0.101 -20.377 1.00 0.00 H new ATOM 142 N ASN A 10 -1.978 -2.242 -24.837 1.00 0.00 N ATOM 143 CA ASN A 10 -2.941 -2.638 -25.831 1.00 0.00 C ATOM 144 C ASN A 10 -2.455 -2.222 -27.186 1.00 0.00 C ATOM 145 O ASN A 10 -1.432 -1.558 -27.295 1.00 0.00 O ATOM 146 CB ASN A 10 -4.325 -2.066 -25.525 1.00 0.00 C ATOM 147 CG ASN A 10 -4.907 -2.628 -24.235 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.656 -3.609 -24.257 1.00 0.00 O ATOM 149 ND2 ASN A 10 -4.511 -2.082 -23.104 1.00 0.00 N ATOM 0 H ASN A 10 -2.126 -1.313 -24.442 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.044 -3.723 -25.815 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.259 -0.981 -25.449 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.999 -2.288 -26.353 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.824 -2.469 -22.214 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.892 -1.272 -23.118 1.00 0.00 H new ATOM 156 N THR A 11 -3.149 -2.577 -28.202 1.00 0.00 N ATOM 157 CA THR A 11 -2.684 -2.283 -29.513 1.00 0.00 C ATOM 158 C THR A 11 -3.828 -1.719 -30.382 1.00 0.00 C ATOM 159 O THR A 11 -4.948 -2.285 -30.447 1.00 0.00 O ATOM 160 CB THR A 11 -1.966 -3.533 -30.133 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.278 -3.197 -31.334 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.929 -4.683 -30.399 1.00 0.00 C ATOM 0 H THR A 11 -4.040 -3.071 -28.156 1.00 0.00 H new ATOM 0 HA THR A 11 -1.931 -1.496 -29.469 1.00 0.00 H new ATOM 0 HB THR A 11 -1.241 -3.865 -29.389 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.840 -3.996 -31.695 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.383 -5.523 -30.828 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.394 -4.992 -29.463 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.700 -4.358 -31.097 1.00 0.00 H new ATOM 170 N TYR A 12 -3.566 -0.582 -30.982 1.00 0.00 N ATOM 171 CA TYR A 12 -4.533 0.144 -31.771 1.00 0.00 C ATOM 172 C TYR A 12 -3.962 0.525 -33.108 1.00 0.00 C ATOM 173 O TYR A 12 -2.763 0.510 -33.298 1.00 0.00 O ATOM 174 CB TYR A 12 -4.993 1.409 -31.037 1.00 0.00 C ATOM 175 CG TYR A 12 -5.937 1.153 -29.882 1.00 0.00 C ATOM 176 CD1 TYR A 12 -5.459 0.838 -28.615 1.00 0.00 C ATOM 177 CD2 TYR A 12 -7.314 1.223 -30.066 1.00 0.00 C ATOM 178 CE1 TYR A 12 -6.325 0.594 -27.569 1.00 0.00 C ATOM 179 CE2 TYR A 12 -8.181 0.989 -29.023 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.684 0.674 -27.781 1.00 0.00 C ATOM 181 OH TYR A 12 -8.556 0.414 -26.750 1.00 0.00 O ATOM 0 H TYR A 12 -2.655 -0.126 -30.934 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.389 -0.513 -31.926 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.116 1.937 -30.663 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.483 2.071 -31.751 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.394 0.783 -28.447 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.709 1.465 -31.042 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.941 0.342 -26.592 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.248 1.053 -29.180 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.478 0.516 -27.067 1.00 0.00 H new ATOM 191 N VAL A 13 -4.837 0.847 -34.005 1.00 0.00 N ATOM 192 CA VAL A 13 -4.526 1.292 -35.341 1.00 0.00 C ATOM 193 C VAL A 13 -5.205 2.628 -35.599 1.00 0.00 C ATOM 194 O VAL A 13 -6.328 2.861 -35.160 1.00 0.00 O ATOM 195 CB VAL A 13 -4.958 0.239 -36.421 1.00 0.00 C ATOM 196 CG1 VAL A 13 -4.970 0.832 -37.817 1.00 0.00 C ATOM 197 CG2 VAL A 13 -3.996 -0.913 -36.418 1.00 0.00 C ATOM 0 H VAL A 13 -5.840 0.808 -33.825 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.445 1.409 -35.420 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.966 -0.088 -36.166 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.275 0.069 -38.534 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.673 1.665 -37.853 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.971 1.189 -38.069 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.299 -1.642 -37.169 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.994 -0.551 -36.648 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.995 -1.384 -35.435 1.00 0.00 H new ATOM 207 N VAL A 14 -4.523 3.495 -36.277 1.00 0.00 N ATOM 208 CA VAL A 14 -5.058 4.761 -36.628 1.00 0.00 C ATOM 209 C VAL A 14 -5.032 4.922 -38.124 1.00 0.00 C ATOM 210 O VAL A 14 -4.043 4.624 -38.771 1.00 0.00 O ATOM 211 CB VAL A 14 -4.332 5.932 -35.923 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.827 5.889 -36.156 1.00 0.00 C ATOM 213 CG2 VAL A 14 -4.916 7.278 -36.347 1.00 0.00 C ATOM 0 H VAL A 14 -3.570 3.337 -36.603 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.090 4.796 -36.280 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.497 5.815 -34.852 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.355 6.728 -35.644 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.425 4.954 -35.766 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.622 5.954 -37.225 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.386 8.082 -35.836 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.806 7.399 -37.425 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.973 7.315 -36.084 1.00 0.00 H new ATOM 223 N SER A 15 -6.121 5.323 -38.650 1.00 0.00 N ATOM 224 CA SER A 15 -6.264 5.536 -40.050 1.00 0.00 C ATOM 225 C SER A 15 -6.393 7.035 -40.319 1.00 0.00 C ATOM 226 O SER A 15 -7.380 7.665 -39.915 1.00 0.00 O ATOM 227 CB SER A 15 -7.476 4.744 -40.530 1.00 0.00 C ATOM 228 OG SER A 15 -7.273 3.355 -40.300 1.00 0.00 O ATOM 0 H SER A 15 -6.965 5.520 -38.113 1.00 0.00 H new ATOM 0 HA SER A 15 -5.392 5.187 -40.602 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.371 5.080 -40.007 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.641 4.925 -41.592 1.00 0.00 H new ATOM 0 HG SER A 15 -6.492 3.050 -40.807 1.00 0.00 H new ATOM 234 N PHE A 16 -5.372 7.615 -40.920 1.00 0.00 N ATOM 235 CA PHE A 16 -5.363 9.037 -41.182 1.00 0.00 C ATOM 236 C PHE A 16 -5.958 9.386 -42.523 1.00 0.00 C ATOM 237 O PHE A 16 -5.915 8.598 -43.473 1.00 0.00 O ATOM 238 CB PHE A 16 -3.955 9.639 -41.077 1.00 0.00 C ATOM 239 CG PHE A 16 -3.455 9.835 -39.676 1.00 0.00 C ATOM 240 CD1 PHE A 16 -2.796 8.828 -39.009 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.638 11.050 -39.032 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.328 9.025 -37.725 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.174 11.246 -37.750 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.520 10.234 -37.097 1.00 0.00 C ATOM 0 H PHE A 16 -4.538 7.120 -41.236 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.990 9.474 -40.405 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.258 8.991 -41.609 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.948 10.602 -41.588 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.643 7.875 -39.494 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.151 11.852 -39.542 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.810 8.228 -37.212 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.325 12.196 -37.260 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.156 10.385 -36.091 1.00 0.00 H new ATOM 254 N ASP A 17 -6.531 10.556 -42.568 1.00 0.00 N ATOM 255 CA ASP A 17 -7.070 11.145 -43.770 1.00 0.00 C ATOM 256 C ASP A 17 -6.568 12.554 -43.875 1.00 0.00 C ATOM 257 O ASP A 17 -6.885 13.397 -43.022 1.00 0.00 O ATOM 258 CB ASP A 17 -8.602 11.168 -43.775 1.00 0.00 C ATOM 259 CG ASP A 17 -9.251 9.839 -44.089 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.430 9.526 -45.286 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.658 9.116 -43.161 1.00 0.00 O ATOM 0 H ASP A 17 -6.641 11.148 -41.745 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.746 10.537 -44.615 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.950 11.506 -42.799 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.939 11.903 -44.506 1.00 0.00 H new ATOM 266 N TYR A 18 -5.780 12.815 -44.875 1.00 0.00 N ATOM 267 CA TYR A 18 -5.229 14.129 -45.098 1.00 0.00 C ATOM 268 C TYR A 18 -5.038 14.333 -46.587 1.00 0.00 C ATOM 269 O TYR A 18 -4.724 13.370 -47.307 1.00 0.00 O ATOM 270 CB TYR A 18 -3.886 14.321 -44.329 1.00 0.00 C ATOM 271 CG TYR A 18 -2.754 13.376 -44.734 1.00 0.00 C ATOM 272 CD1 TYR A 18 -2.656 12.111 -44.171 1.00 0.00 C ATOM 273 CD2 TYR A 18 -1.797 13.746 -45.691 1.00 0.00 C ATOM 274 CE1 TYR A 18 -1.650 11.237 -44.534 1.00 0.00 C ATOM 275 CE2 TYR A 18 -0.790 12.869 -46.066 1.00 0.00 C ATOM 276 CZ TYR A 18 -0.720 11.617 -45.486 1.00 0.00 C ATOM 277 OH TYR A 18 0.281 10.736 -45.866 1.00 0.00 O ATOM 0 H TYR A 18 -5.496 12.121 -45.567 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.922 14.877 -44.714 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.548 15.347 -44.474 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.077 14.195 -43.263 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.382 11.803 -43.433 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.845 14.726 -46.141 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.589 10.261 -44.077 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.063 13.164 -46.809 1.00 0.00 H new ATOM 0 HH TYR A 18 1.014 10.774 -45.217 1.00 0.00 H new ATOM 287 N PRO A 19 -5.288 15.548 -47.082 1.00 0.00 N ATOM 288 CA PRO A 19 -5.088 15.874 -48.477 1.00 0.00 C ATOM 289 C PRO A 19 -3.607 15.928 -48.849 1.00 0.00 C ATOM 290 O PRO A 19 -2.731 16.187 -47.998 1.00 0.00 O ATOM 291 CB PRO A 19 -5.737 17.245 -48.646 1.00 0.00 C ATOM 292 CG PRO A 19 -5.831 17.824 -47.292 1.00 0.00 C ATOM 293 CD PRO A 19 -5.832 16.681 -46.320 1.00 0.00 C ATOM 0 HA PRO A 19 -5.522 15.117 -49.130 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.141 17.880 -49.301 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.724 17.156 -49.101 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.991 18.492 -47.100 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.740 18.417 -47.189 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.219 16.903 -45.446 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.838 16.469 -45.958 1.00 0.00 H new ATOM 301 N SER A 20 -3.343 15.747 -50.122 1.00 0.00 N ATOM 302 CA SER A 20 -2.003 15.664 -50.655 1.00 0.00 C ATOM 303 C SER A 20 -1.254 16.994 -50.526 1.00 0.00 C ATOM 304 O SER A 20 -0.015 17.021 -50.506 1.00 0.00 O ATOM 305 CB SER A 20 -2.095 15.221 -52.104 1.00 0.00 C ATOM 306 OG SER A 20 -2.879 14.034 -52.186 1.00 0.00 O ATOM 0 H SER A 20 -4.070 15.651 -50.831 1.00 0.00 H new ATOM 0 HA SER A 20 -1.430 14.937 -50.080 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.543 16.009 -52.709 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.098 15.040 -52.505 1.00 0.00 H new ATOM 0 HG SER A 20 -2.941 13.747 -53.121 1.00 0.00 H new ATOM 312 N SER A 21 -1.999 18.076 -50.395 1.00 0.00 N ATOM 313 CA SER A 21 -1.433 19.399 -50.228 1.00 0.00 C ATOM 314 C SER A 21 -0.626 19.532 -48.909 1.00 0.00 C ATOM 315 O SER A 21 0.142 20.481 -48.743 1.00 0.00 O ATOM 316 CB SER A 21 -2.553 20.427 -50.267 1.00 0.00 C ATOM 317 OG SER A 21 -3.347 20.252 -51.434 1.00 0.00 O ATOM 0 H SER A 21 -3.019 18.060 -50.402 1.00 0.00 H new ATOM 0 HA SER A 21 -0.733 19.574 -51.045 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.176 20.329 -49.378 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.133 21.433 -50.253 1.00 0.00 H new ATOM 0 HG SER A 21 -4.065 20.919 -51.445 1.00 0.00 H new ATOM 323 N TYR A 22 -0.803 18.599 -47.969 1.00 0.00 N ATOM 324 CA TYR A 22 -0.059 18.658 -46.708 1.00 0.00 C ATOM 325 C TYR A 22 0.930 17.534 -46.548 1.00 0.00 C ATOM 326 O TYR A 22 1.333 17.255 -45.438 1.00 0.00 O ATOM 327 CB TYR A 22 -0.994 18.632 -45.524 1.00 0.00 C ATOM 328 CG TYR A 22 -1.957 19.755 -45.480 1.00 0.00 C ATOM 329 CD1 TYR A 22 -1.541 21.055 -45.290 1.00 0.00 C ATOM 330 CD2 TYR A 22 -3.281 19.511 -45.664 1.00 0.00 C ATOM 331 CE1 TYR A 22 -2.444 22.090 -45.276 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.199 20.525 -45.663 1.00 0.00 C ATOM 333 CZ TYR A 22 -3.778 21.823 -45.466 1.00 0.00 C ATOM 334 OH TYR A 22 -4.688 22.860 -45.483 1.00 0.00 O ATOM 0 H TYR A 22 -1.442 17.808 -48.054 1.00 0.00 H new ATOM 0 HA TYR A 22 0.491 19.598 -46.744 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.549 17.694 -45.535 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.402 18.641 -44.609 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.490 21.263 -45.150 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.616 18.495 -45.814 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.108 23.104 -45.117 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.246 20.310 -45.815 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.589 22.502 -45.629 1.00 0.00 H new ATOM 344 N SER A 23 1.368 16.940 -47.622 1.00 0.00 N ATOM 345 CA SER A 23 2.319 15.842 -47.537 1.00 0.00 C ATOM 346 C SER A 23 3.616 16.287 -46.849 1.00 0.00 C ATOM 347 O SER A 23 4.034 15.675 -45.878 1.00 0.00 O ATOM 348 CB SER A 23 2.588 15.307 -48.927 1.00 0.00 C ATOM 349 OG SER A 23 1.368 14.932 -49.562 1.00 0.00 O ATOM 0 H SER A 23 1.089 17.189 -48.571 1.00 0.00 H new ATOM 0 HA SER A 23 1.893 15.045 -46.928 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.097 16.065 -49.523 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.254 14.446 -48.869 1.00 0.00 H new ATOM 0 HG SER A 23 1.003 15.700 -50.048 1.00 0.00 H new ATOM 355 N SER A 24 4.152 17.423 -47.259 1.00 0.00 N ATOM 356 CA SER A 24 5.423 17.910 -46.735 1.00 0.00 C ATOM 357 C SER A 24 5.264 18.485 -45.314 1.00 0.00 C ATOM 358 O SER A 24 6.235 18.687 -44.581 1.00 0.00 O ATOM 359 CB SER A 24 6.002 18.927 -47.707 1.00 0.00 C ATOM 360 OG SER A 24 6.104 18.334 -49.005 1.00 0.00 O ATOM 0 H SER A 24 3.726 18.032 -47.958 1.00 0.00 H new ATOM 0 HA SER A 24 6.121 17.078 -46.645 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.366 19.812 -47.747 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.984 19.255 -47.366 1.00 0.00 H new ATOM 0 HG SER A 24 6.475 18.987 -49.635 1.00 0.00 H new ATOM 366 N VAL A 25 4.033 18.690 -44.930 1.00 0.00 N ATOM 367 CA VAL A 25 3.688 19.169 -43.609 1.00 0.00 C ATOM 368 C VAL A 25 3.491 17.987 -42.682 1.00 0.00 C ATOM 369 O VAL A 25 3.908 17.992 -41.519 1.00 0.00 O ATOM 370 CB VAL A 25 2.382 19.989 -43.667 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.823 20.227 -42.282 1.00 0.00 C ATOM 372 CG2 VAL A 25 2.618 21.298 -44.384 1.00 0.00 C ATOM 0 H VAL A 25 3.226 18.528 -45.532 1.00 0.00 H new ATOM 0 HA VAL A 25 4.494 19.803 -43.239 1.00 0.00 H new ATOM 0 HB VAL A 25 1.643 19.414 -44.226 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.903 20.807 -42.356 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.611 19.270 -41.806 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.551 20.776 -41.685 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.689 21.867 -44.418 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.376 21.873 -43.852 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.960 21.100 -45.400 1.00 0.00 H new ATOM 382 N PHE A 26 2.925 16.956 -43.228 1.00 0.00 N ATOM 383 CA PHE A 26 2.578 15.782 -42.502 1.00 0.00 C ATOM 384 C PHE A 26 3.817 15.006 -42.091 1.00 0.00 C ATOM 385 O PHE A 26 3.786 14.211 -41.149 1.00 0.00 O ATOM 386 CB PHE A 26 1.617 14.941 -43.337 1.00 0.00 C ATOM 387 CG PHE A 26 1.642 13.496 -42.998 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.968 13.023 -41.893 1.00 0.00 C ATOM 389 CD2 PHE A 26 2.397 12.619 -43.755 1.00 0.00 C ATOM 390 CE1 PHE A 26 1.054 11.701 -41.544 1.00 0.00 C ATOM 391 CE2 PHE A 26 2.476 11.299 -43.419 1.00 0.00 C ATOM 392 CZ PHE A 26 1.811 10.839 -42.312 1.00 0.00 C ATOM 0 H PHE A 26 2.687 16.910 -44.219 1.00 0.00 H new ATOM 0 HA PHE A 26 2.073 16.061 -41.577 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.604 15.320 -43.201 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.864 15.062 -44.392 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.369 13.698 -41.299 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.930 12.983 -44.621 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.532 11.335 -40.672 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.060 10.620 -44.022 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.880 9.796 -42.039 1.00 0.00 H new ATOM 402 N LEU A 27 4.919 15.282 -42.756 1.00 0.00 N ATOM 403 CA LEU A 27 6.187 14.634 -42.452 1.00 0.00 C ATOM 404 C LEU A 27 6.565 14.919 -40.997 1.00 0.00 C ATOM 405 O LEU A 27 7.295 14.164 -40.363 1.00 0.00 O ATOM 406 CB LEU A 27 7.295 15.162 -43.347 1.00 0.00 C ATOM 407 CG LEU A 27 6.998 15.251 -44.833 1.00 0.00 C ATOM 408 CD1 LEU A 27 8.214 15.735 -45.590 1.00 0.00 C ATOM 409 CD2 LEU A 27 6.472 13.936 -45.386 1.00 0.00 C ATOM 0 H LEU A 27 4.966 15.957 -43.519 1.00 0.00 H new ATOM 0 HA LEU A 27 6.071 13.563 -42.619 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.568 16.157 -42.996 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.170 14.526 -43.214 1.00 0.00 H new ATOM 0 HG LEU A 27 6.203 15.984 -44.972 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.982 15.792 -46.653 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.499 16.722 -45.227 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.039 15.040 -45.436 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.272 14.044 -46.452 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.215 13.154 -45.233 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.551 13.667 -44.870 1.00 0.00 H new ATOM 421 N ARG A 28 6.025 16.003 -40.479 1.00 0.00 N ATOM 422 CA ARG A 28 6.228 16.374 -39.111 1.00 0.00 C ATOM 423 C ARG A 28 5.457 15.431 -38.240 1.00 0.00 C ATOM 424 O ARG A 28 6.013 14.717 -37.434 1.00 0.00 O ATOM 425 CB ARG A 28 5.731 17.793 -38.851 1.00 0.00 C ATOM 426 CG ARG A 28 6.381 18.866 -39.705 1.00 0.00 C ATOM 427 CD ARG A 28 7.896 18.730 -39.713 1.00 0.00 C ATOM 428 NE ARG A 28 8.471 18.529 -38.346 1.00 0.00 N ATOM 429 CZ ARG A 28 8.212 19.266 -37.234 1.00 0.00 C ATOM 430 NH1 ARG A 28 7.635 20.467 -37.307 1.00 0.00 N ATOM 431 NH2 ARG A 28 8.600 18.816 -36.064 1.00 0.00 N ATOM 0 H ARG A 28 5.433 16.647 -41.004 1.00 0.00 H new ATOM 0 HA ARG A 28 7.294 16.329 -38.890 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.654 17.821 -39.017 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.899 18.034 -37.801 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.003 18.799 -40.725 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.105 19.850 -39.327 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.177 17.889 -40.347 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.333 19.624 -40.158 1.00 0.00 H new ATOM 0 HE ARG A 28 9.128 17.756 -38.237 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.376 20.854 -38.214 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.453 20.998 -36.455 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.089 17.924 -35.998 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.412 19.359 -35.221 1.00 0.00 H new ATOM 445 N LEU A 29 4.173 15.382 -38.501 1.00 0.00 N ATOM 446 CA LEU A 29 3.212 14.603 -37.744 1.00 0.00 C ATOM 447 C LEU A 29 3.588 13.114 -37.779 1.00 0.00 C ATOM 448 O LEU A 29 3.374 12.393 -36.812 1.00 0.00 O ATOM 449 CB LEU A 29 1.810 14.869 -38.354 1.00 0.00 C ATOM 450 CG LEU A 29 0.541 14.510 -37.537 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.256 13.030 -37.542 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.657 15.023 -36.106 1.00 0.00 C ATOM 0 H LEU A 29 3.750 15.899 -39.272 1.00 0.00 H new ATOM 0 HA LEU A 29 3.208 14.895 -36.694 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.754 15.931 -38.594 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.756 14.326 -39.297 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.300 15.004 -38.024 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.642 12.830 -36.957 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.103 12.692 -38.567 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.100 12.495 -37.106 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.244 14.760 -35.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.524 14.569 -35.626 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.774 16.107 -36.116 1.00 0.00 H new ATOM 464 N ARG A 30 4.221 12.678 -38.867 1.00 0.00 N ATOM 465 CA ARG A 30 4.587 11.271 -38.995 1.00 0.00 C ATOM 466 C ARG A 30 5.784 10.973 -38.133 1.00 0.00 C ATOM 467 O ARG A 30 5.896 9.910 -37.534 1.00 0.00 O ATOM 468 CB ARG A 30 4.814 10.869 -40.450 1.00 0.00 C ATOM 469 CG ARG A 30 6.121 11.305 -41.071 1.00 0.00 C ATOM 470 CD ARG A 30 6.169 10.970 -42.560 1.00 0.00 C ATOM 471 NE ARG A 30 6.095 9.529 -42.817 1.00 0.00 N ATOM 472 CZ ARG A 30 5.603 8.959 -43.939 1.00 0.00 C ATOM 473 NH1 ARG A 30 5.074 9.707 -44.916 1.00 0.00 N ATOM 474 NH2 ARG A 30 5.665 7.648 -44.085 1.00 0.00 N ATOM 0 H ARG A 30 4.486 13.266 -39.657 1.00 0.00 H new ATOM 0 HA ARG A 30 3.752 10.666 -38.643 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.748 9.783 -40.519 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.999 11.276 -41.048 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.251 12.378 -40.934 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.950 10.816 -40.559 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.343 11.469 -43.067 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.091 11.365 -42.988 1.00 0.00 H new ATOM 0 HE ARG A 30 6.444 8.905 -42.089 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.039 10.722 -44.819 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.707 9.262 -45.757 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.082 7.073 -43.353 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.296 7.211 -44.929 1.00 0.00 H new ATOM 488 N SER A 31 6.631 11.947 -38.028 1.00 0.00 N ATOM 489 CA SER A 31 7.801 11.854 -37.193 1.00 0.00 C ATOM 490 C SER A 31 7.386 11.868 -35.733 1.00 0.00 C ATOM 491 O SER A 31 7.993 11.201 -34.898 1.00 0.00 O ATOM 492 CB SER A 31 8.770 12.981 -37.511 1.00 0.00 C ATOM 493 OG SER A 31 9.192 12.905 -38.872 1.00 0.00 O ATOM 0 H SER A 31 6.536 12.836 -38.519 1.00 0.00 H new ATOM 0 HA SER A 31 8.317 10.915 -37.392 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.293 13.943 -37.325 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.636 12.922 -36.851 1.00 0.00 H new ATOM 0 HG SER A 31 8.592 13.442 -39.431 1.00 0.00 H new ATOM 499 N LEU A 32 6.296 12.575 -35.450 1.00 0.00 N ATOM 500 CA LEU A 32 5.741 12.622 -34.107 1.00 0.00 C ATOM 501 C LEU A 32 5.236 11.255 -33.691 1.00 0.00 C ATOM 502 O LEU A 32 5.348 10.869 -32.539 1.00 0.00 O ATOM 503 CB LEU A 32 4.607 13.654 -33.988 1.00 0.00 C ATOM 504 CG LEU A 32 4.979 15.101 -33.587 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.621 15.134 -32.216 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.885 15.771 -34.598 1.00 0.00 C ATOM 0 H LEU A 32 5.780 13.124 -36.138 1.00 0.00 H new ATOM 0 HA LEU A 32 6.546 12.930 -33.439 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.092 13.696 -34.948 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.890 13.279 -33.257 1.00 0.00 H new ATOM 0 HG LEU A 32 4.046 15.663 -33.561 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.873 16.162 -31.957 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.925 14.734 -31.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.528 14.529 -32.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.114 16.784 -34.266 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.810 15.202 -34.691 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.384 15.811 -35.565 1.00 0.00 H new ATOM 518 N MET A 33 4.695 10.525 -34.645 1.00 0.00 N ATOM 519 CA MET A 33 4.176 9.188 -34.412 1.00 0.00 C ATOM 520 C MET A 33 5.268 8.264 -33.927 1.00 0.00 C ATOM 521 O MET A 33 5.113 7.601 -32.914 1.00 0.00 O ATOM 522 CB MET A 33 3.624 8.601 -35.690 1.00 0.00 C ATOM 523 CG MET A 33 2.601 9.430 -36.382 1.00 0.00 C ATOM 524 SD MET A 33 2.031 8.616 -37.861 1.00 0.00 S ATOM 525 CE MET A 33 0.952 9.853 -38.524 1.00 0.00 C ATOM 0 H MET A 33 4.601 10.842 -35.610 1.00 0.00 H new ATOM 0 HA MET A 33 3.392 9.276 -33.660 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.452 8.427 -36.377 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.187 7.628 -35.464 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.760 9.612 -35.713 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.023 10.402 -36.635 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.369 9.427 -39.340 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.279 10.206 -37.742 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.543 10.689 -38.898 1.00 0.00 H new ATOM 535 N TYR A 34 6.369 8.225 -34.654 1.00 0.00 N ATOM 536 CA TYR A 34 7.465 7.330 -34.311 1.00 0.00 C ATOM 537 C TYR A 34 8.245 7.861 -33.125 1.00 0.00 C ATOM 538 O TYR A 34 9.027 7.143 -32.494 1.00 0.00 O ATOM 539 CB TYR A 34 8.362 7.106 -35.506 1.00 0.00 C ATOM 540 CG TYR A 34 7.593 6.670 -36.735 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.749 5.554 -36.712 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.693 7.387 -37.914 1.00 0.00 C ATOM 543 CE1 TYR A 34 6.037 5.188 -37.832 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.987 7.018 -39.039 1.00 0.00 C ATOM 545 CZ TYR A 34 6.160 5.922 -38.992 1.00 0.00 C ATOM 546 OH TYR A 34 5.446 5.559 -40.110 1.00 0.00 O ATOM 0 H TYR A 34 6.531 8.798 -35.482 1.00 0.00 H new ATOM 0 HA TYR A 34 7.045 6.366 -34.023 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.903 8.026 -35.727 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.107 6.349 -35.260 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.655 4.974 -35.806 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.337 8.253 -37.954 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.384 4.328 -37.802 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.083 7.587 -39.952 1.00 0.00 H new ATOM 0 HH TYR A 34 4.489 5.554 -39.900 1.00 0.00 H new ATOM 556 N ASP A 35 8.074 9.132 -32.857 1.00 0.00 N ATOM 557 CA ASP A 35 8.587 9.721 -31.636 1.00 0.00 C ATOM 558 C ASP A 35 7.801 9.160 -30.464 1.00 0.00 C ATOM 559 O ASP A 35 8.355 8.815 -29.416 1.00 0.00 O ATOM 560 CB ASP A 35 8.475 11.238 -31.667 1.00 0.00 C ATOM 561 CG ASP A 35 8.894 11.870 -30.368 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.107 12.043 -30.144 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.016 12.223 -29.557 1.00 0.00 O ATOM 0 H ASP A 35 7.582 9.784 -33.468 1.00 0.00 H new ATOM 0 HA ASP A 35 9.644 9.474 -31.534 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.094 11.629 -32.475 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.446 11.519 -31.890 1.00 0.00 H new ATOM 568 N MET A 36 6.514 9.007 -30.688 1.00 0.00 N ATOM 569 CA MET A 36 5.602 8.438 -29.728 1.00 0.00 C ATOM 570 C MET A 36 5.584 6.911 -29.883 1.00 0.00 C ATOM 571 O MET A 36 6.523 6.329 -30.416 1.00 0.00 O ATOM 572 CB MET A 36 4.198 9.053 -29.900 1.00 0.00 C ATOM 573 CG MET A 36 4.119 10.503 -29.448 1.00 0.00 C ATOM 574 SD MET A 36 2.470 11.244 -29.630 1.00 0.00 S ATOM 575 CE MET A 36 2.316 11.338 -31.411 1.00 0.00 C ATOM 0 H MET A 36 6.066 9.282 -31.562 1.00 0.00 H new ATOM 0 HA MET A 36 5.935 8.670 -28.716 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.907 8.990 -30.948 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.478 8.463 -29.333 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.420 10.564 -28.402 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.836 11.091 -30.021 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.307 11.656 -31.673 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.036 12.057 -31.801 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.511 10.358 -31.845 1.00 0.00 H new ATOM 585 N ASN A 37 4.531 6.264 -29.444 1.00 0.00 N ATOM 586 CA ASN A 37 4.497 4.785 -29.435 1.00 0.00 C ATOM 587 C ASN A 37 4.029 4.172 -30.738 1.00 0.00 C ATOM 588 O ASN A 37 3.930 2.944 -30.844 1.00 0.00 O ATOM 589 CB ASN A 37 3.645 4.224 -28.292 1.00 0.00 C ATOM 590 CG ASN A 37 4.307 4.216 -26.929 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.105 5.196 -26.653 1.00 0.00 O flip ATOM 592 ND2 ASN A 37 4.054 3.338 -26.110 1.00 0.00 N flip ATOM 0 H ASN A 37 3.687 6.713 -29.089 1.00 0.00 H new ATOM 0 HA ASN A 37 5.539 4.502 -29.286 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.726 4.807 -28.227 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.358 3.203 -28.543 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.421 2.578 -26.357 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.477 3.369 -25.182 1.00 0.00 H new ATOM 599 N PHE A 38 3.719 4.995 -31.709 1.00 0.00 N ATOM 600 CA PHE A 38 3.232 4.503 -33.001 1.00 0.00 C ATOM 601 C PHE A 38 4.297 3.702 -33.765 1.00 0.00 C ATOM 602 O PHE A 38 5.497 3.846 -33.527 1.00 0.00 O ATOM 603 CB PHE A 38 2.732 5.640 -33.868 1.00 0.00 C ATOM 604 CG PHE A 38 1.595 6.378 -33.263 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.830 7.445 -32.423 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.294 5.992 -33.508 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.800 8.116 -31.843 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.748 6.661 -32.923 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.483 7.728 -32.087 1.00 0.00 C ATOM 0 H PHE A 38 3.791 6.010 -31.642 1.00 0.00 H new ATOM 0 HA PHE A 38 2.404 3.831 -32.777 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.551 6.335 -34.053 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.426 5.243 -34.836 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.846 7.752 -32.223 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.096 5.158 -34.165 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.998 8.954 -31.191 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.767 6.357 -33.113 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.300 8.260 -31.622 1.00 0.00 H new ATOM 619 N SER A 39 3.854 2.863 -34.662 1.00 0.00 N ATOM 620 CA SER A 39 4.733 2.028 -35.450 1.00 0.00 C ATOM 621 C SER A 39 4.286 1.948 -36.914 1.00 0.00 C ATOM 622 O SER A 39 3.146 2.308 -37.258 1.00 0.00 O ATOM 623 CB SER A 39 4.741 0.633 -34.871 1.00 0.00 C ATOM 624 OG SER A 39 5.184 0.628 -33.524 1.00 0.00 O ATOM 0 H SER A 39 2.864 2.735 -34.872 1.00 0.00 H new ATOM 0 HA SER A 39 5.728 2.471 -35.420 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.738 0.210 -34.926 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.390 -0.006 -35.470 1.00 0.00 H new ATOM 0 HG SER A 39 5.175 -0.290 -33.180 1.00 0.00 H new ATOM 630 N SER A 40 5.185 1.453 -37.749 1.00 0.00 N ATOM 631 CA SER A 40 4.964 1.268 -39.161 1.00 0.00 C ATOM 632 C SER A 40 4.520 -0.156 -39.448 1.00 0.00 C ATOM 633 O SER A 40 3.942 -0.439 -40.506 1.00 0.00 O ATOM 634 CB SER A 40 6.274 1.499 -39.873 1.00 0.00 C ATOM 635 OG SER A 40 6.919 2.649 -39.372 1.00 0.00 O ATOM 0 H SER A 40 6.115 1.162 -37.447 1.00 0.00 H new ATOM 0 HA SER A 40 4.193 1.961 -39.498 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.920 0.630 -39.747 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.097 1.612 -40.943 1.00 0.00 H new ATOM 0 HG SER A 40 6.252 3.259 -38.992 1.00 0.00 H new ATOM 641 N ILE A 41 4.833 -1.043 -38.531 1.00 0.00 N ATOM 642 CA ILE A 41 4.524 -2.454 -38.654 1.00 0.00 C ATOM 643 C ILE A 41 3.774 -2.918 -37.418 1.00 0.00 C ATOM 644 O ILE A 41 4.019 -2.424 -36.316 1.00 0.00 O ATOM 645 CB ILE A 41 5.839 -3.345 -38.825 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.397 -3.344 -40.250 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.668 -4.785 -38.342 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.996 -2.050 -40.694 1.00 0.00 C ATOM 0 H ILE A 41 5.316 -0.804 -37.665 1.00 0.00 H new ATOM 0 HA ILE A 41 3.912 -2.578 -39.547 1.00 0.00 H new ATOM 0 HB ILE A 41 6.566 -2.856 -38.177 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.155 -4.123 -40.327 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.595 -3.610 -40.938 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.600 -5.331 -38.489 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.410 -4.785 -37.283 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.872 -5.267 -38.910 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.363 -2.150 -41.716 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.239 -1.267 -40.656 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.824 -1.787 -40.035 1.00 0.00 H new ATOM 660 N VAL A 42 2.853 -3.817 -37.618 1.00 0.00 N ATOM 661 CA VAL A 42 2.175 -4.508 -36.552 1.00 0.00 C ATOM 662 C VAL A 42 1.735 -5.853 -37.113 1.00 0.00 C ATOM 663 O VAL A 42 1.429 -5.954 -38.305 1.00 0.00 O ATOM 664 CB VAL A 42 0.964 -3.707 -35.975 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.101 -3.509 -37.013 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.394 -4.372 -34.724 1.00 0.00 C ATOM 0 H VAL A 42 2.543 -4.098 -38.548 1.00 0.00 H new ATOM 0 HA VAL A 42 2.853 -4.633 -35.707 1.00 0.00 H new ATOM 0 HB VAL A 42 1.335 -2.724 -35.684 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.930 -2.949 -36.581 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.311 -2.955 -37.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.459 -4.479 -37.357 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.446 -3.786 -34.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.055 -5.378 -34.969 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.166 -4.427 -33.957 1.00 0.00 H new ATOM 676 N ALA A 43 1.783 -6.872 -36.318 1.00 0.00 N ATOM 677 CA ALA A 43 1.395 -8.185 -36.763 1.00 0.00 C ATOM 678 C ALA A 43 -0.113 -8.320 -36.792 1.00 0.00 C ATOM 679 O ALA A 43 -0.817 -7.799 -35.916 1.00 0.00 O ATOM 680 CB ALA A 43 2.001 -9.251 -35.872 1.00 0.00 C ATOM 0 H ALA A 43 2.089 -6.826 -35.346 1.00 0.00 H new ATOM 0 HA ALA A 43 1.772 -8.323 -37.776 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.696 -10.236 -36.225 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.088 -9.175 -35.902 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.655 -9.109 -34.848 1.00 0.00 H new ATOM 686 N ASP A 44 -0.602 -8.996 -37.801 1.00 0.00 N ATOM 687 CA ASP A 44 -2.017 -9.295 -37.920 1.00 0.00 C ATOM 688 C ASP A 44 -2.350 -10.491 -37.026 1.00 0.00 C ATOM 689 O ASP A 44 -1.505 -10.929 -36.222 1.00 0.00 O ATOM 690 CB ASP A 44 -2.424 -9.569 -39.397 1.00 0.00 C ATOM 691 CG ASP A 44 -1.629 -10.674 -40.075 1.00 0.00 C ATOM 692 OD1 ASP A 44 -1.246 -11.636 -39.410 1.00 0.00 O ATOM 693 OD2 ASP A 44 -1.359 -10.567 -41.276 1.00 0.00 O ATOM 0 H ASP A 44 -0.034 -9.357 -38.567 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.590 -8.427 -37.594 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.482 -9.829 -39.427 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.306 -8.649 -39.970 1.00 0.00 H new ATOM 698 N GLU A 45 -3.542 -11.038 -37.155 1.00 0.00 N ATOM 699 CA GLU A 45 -3.929 -12.152 -36.303 1.00 0.00 C ATOM 700 C GLU A 45 -3.224 -13.437 -36.725 1.00 0.00 C ATOM 701 O GLU A 45 -3.084 -14.369 -35.928 1.00 0.00 O ATOM 702 CB GLU A 45 -5.430 -12.387 -36.320 1.00 0.00 C ATOM 703 CG GLU A 45 -5.945 -13.064 -37.571 1.00 0.00 C ATOM 704 CD GLU A 45 -7.407 -13.360 -37.471 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.225 -12.496 -37.815 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.767 -14.458 -37.000 1.00 0.00 O ATOM 0 H GLU A 45 -4.249 -10.739 -37.826 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.628 -11.884 -35.290 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.700 -12.995 -35.456 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.936 -11.428 -36.206 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.760 -12.425 -38.434 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.396 -13.991 -37.737 1.00 0.00 H new ATOM 713 N TYR A 46 -2.786 -13.484 -37.976 1.00 0.00 N ATOM 714 CA TYR A 46 -2.143 -14.660 -38.516 1.00 0.00 C ATOM 715 C TYR A 46 -0.727 -14.675 -38.004 1.00 0.00 C ATOM 716 O TYR A 46 -0.131 -15.727 -37.783 1.00 0.00 O ATOM 717 CB TYR A 46 -2.119 -14.611 -40.050 1.00 0.00 C ATOM 718 CG TYR A 46 -3.421 -14.185 -40.700 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.623 -14.812 -40.405 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.437 -13.139 -41.612 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.801 -14.408 -41.002 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.604 -12.736 -42.215 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.785 -13.369 -41.909 1.00 0.00 C ATOM 724 OH TYR A 46 -6.955 -12.971 -42.530 1.00 0.00 O ATOM 0 H TYR A 46 -2.869 -12.711 -38.636 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.689 -15.553 -38.211 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.333 -13.925 -40.364 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.849 -15.598 -40.425 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.638 -15.628 -39.698 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.514 -12.632 -41.852 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.730 -14.903 -40.760 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.593 -11.924 -42.927 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.766 -12.226 -43.138 1.00 0.00 H new ATOM 734 N GLY A 47 -0.211 -13.494 -37.820 1.00 0.00 N ATOM 735 CA GLY A 47 1.105 -13.315 -37.297 1.00 0.00 C ATOM 736 C GLY A 47 2.031 -12.711 -38.308 1.00 0.00 C ATOM 737 O GLY A 47 3.250 -12.843 -38.203 1.00 0.00 O ATOM 0 H GLY A 47 -0.699 -12.624 -38.032 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.061 -12.674 -36.416 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.500 -14.277 -36.972 1.00 0.00 H new ATOM 741 N ILE A 48 1.473 -12.053 -39.295 1.00 0.00 N ATOM 742 CA ILE A 48 2.271 -11.438 -40.306 1.00 0.00 C ATOM 743 C ILE A 48 2.478 -9.975 -39.980 1.00 0.00 C ATOM 744 O ILE A 48 1.514 -9.253 -39.703 1.00 0.00 O ATOM 745 CB ILE A 48 1.707 -11.640 -41.771 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.082 -13.028 -42.316 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.195 -10.559 -42.739 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.509 -14.194 -41.552 1.00 0.00 C ATOM 0 H ILE A 48 0.467 -11.934 -39.412 1.00 0.00 H new ATOM 0 HA ILE A 48 3.236 -11.944 -40.304 1.00 0.00 H new ATOM 0 HB ILE A 48 0.622 -11.559 -41.699 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.751 -13.095 -43.352 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.168 -13.117 -42.322 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.780 -10.743 -43.730 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.870 -9.580 -42.386 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.283 -10.582 -42.792 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.832 -15.126 -42.015 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.860 -14.161 -40.521 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.420 -14.139 -41.567 1.00 0.00 H new ATOM 760 N PRO A 49 3.737 -9.535 -39.923 1.00 0.00 N ATOM 761 CA PRO A 49 4.065 -8.143 -39.691 1.00 0.00 C ATOM 762 C PRO A 49 3.633 -7.292 -40.879 1.00 0.00 C ATOM 763 O PRO A 49 4.262 -7.297 -41.938 1.00 0.00 O ATOM 764 CB PRO A 49 5.589 -8.135 -39.541 1.00 0.00 C ATOM 765 CG PRO A 49 6.052 -9.381 -40.212 1.00 0.00 C ATOM 766 CD PRO A 49 4.939 -10.377 -40.072 1.00 0.00 C ATOM 0 HA PRO A 49 3.561 -7.731 -38.817 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.026 -7.251 -40.006 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.882 -8.121 -38.491 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.277 -9.196 -41.262 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.967 -9.753 -39.751 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.869 -11.025 -40.946 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.086 -11.023 -39.207 1.00 0.00 H new ATOM 774 N ARG A 50 2.544 -6.628 -40.719 1.00 0.00 N ATOM 775 CA ARG A 50 1.976 -5.818 -41.752 1.00 0.00 C ATOM 776 C ARG A 50 2.517 -4.414 -41.687 1.00 0.00 C ATOM 777 O ARG A 50 2.714 -3.862 -40.600 1.00 0.00 O ATOM 778 CB ARG A 50 0.489 -5.738 -41.551 1.00 0.00 C ATOM 779 CG ARG A 50 -0.263 -7.044 -41.653 1.00 0.00 C ATOM 780 CD ARG A 50 -0.384 -7.526 -43.066 1.00 0.00 C ATOM 781 NE ARG A 50 -1.242 -8.692 -43.096 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.336 -8.864 -43.827 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.791 -7.901 -44.633 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.015 -9.985 -43.683 1.00 0.00 N ATOM 0 H ARG A 50 2.008 -6.629 -39.851 1.00 0.00 H new ATOM 0 HA ARG A 50 2.225 -6.266 -42.714 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.298 -5.307 -40.568 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.079 -5.047 -42.288 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.247 -7.801 -41.057 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.259 -6.920 -41.228 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.796 -6.739 -43.698 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.600 -7.773 -43.465 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.976 -9.467 -42.488 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.295 -7.012 -44.695 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.634 -8.055 -45.186 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.696 -10.693 -43.022 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.860 -10.144 -44.232 1.00 0.00 H new ATOM 798 N GLN A 51 2.763 -3.860 -42.832 1.00 0.00 N ATOM 799 CA GLN A 51 3.115 -2.472 -42.958 1.00 0.00 C ATOM 800 C GLN A 51 1.839 -1.682 -42.983 1.00 0.00 C ATOM 801 O GLN A 51 0.819 -2.146 -43.479 1.00 0.00 O ATOM 802 CB GLN A 51 3.910 -2.207 -44.220 1.00 0.00 C ATOM 803 CG GLN A 51 5.381 -2.498 -44.100 1.00 0.00 C ATOM 804 CD GLN A 51 6.215 -1.248 -43.884 1.00 0.00 C ATOM 805 OE1 GLN A 51 7.353 -1.165 -44.335 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.706 -0.316 -43.114 1.00 0.00 N ATOM 0 H GLN A 51 2.726 -4.361 -43.720 1.00 0.00 H new ATOM 0 HA GLN A 51 3.744 -2.180 -42.117 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.497 -2.811 -45.028 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.781 -1.163 -44.504 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.544 -3.185 -43.270 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.721 -3.004 -45.004 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.756 -0.414 -42.754 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.260 0.507 -42.875 1.00 0.00 H new ATOM 815 N LEU A 52 1.895 -0.532 -42.436 1.00 0.00 N ATOM 816 CA LEU A 52 0.703 0.278 -42.229 1.00 0.00 C ATOM 817 C LEU A 52 0.712 1.539 -43.053 1.00 0.00 C ATOM 818 O LEU A 52 -0.348 2.094 -43.359 1.00 0.00 O ATOM 819 CB LEU A 52 0.698 0.626 -40.750 1.00 0.00 C ATOM 820 CG LEU A 52 0.810 -0.599 -39.858 1.00 0.00 C ATOM 821 CD1 LEU A 52 1.020 -0.204 -38.439 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.419 -1.478 -40.010 1.00 0.00 C ATOM 0 H LEU A 52 2.759 -0.100 -42.108 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.186 -0.273 -42.536 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.526 1.302 -40.537 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.220 1.162 -40.510 1.00 0.00 H new ATOM 0 HG LEU A 52 1.680 -1.177 -40.171 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.097 -1.098 -37.820 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.939 0.376 -38.355 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.178 0.400 -38.101 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.324 -2.351 -39.365 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.307 -0.913 -39.727 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.509 -1.801 -41.047 1.00 0.00 H new ATOM 834 N ASN A 53 1.904 1.913 -43.479 1.00 0.00 N ATOM 835 CA ASN A 53 2.286 3.238 -44.098 1.00 0.00 C ATOM 836 C ASN A 53 1.650 3.533 -45.452 1.00 0.00 C ATOM 837 O ASN A 53 2.211 4.225 -46.308 1.00 0.00 O ATOM 838 CB ASN A 53 3.805 3.322 -44.183 1.00 0.00 C ATOM 839 CG ASN A 53 4.474 3.016 -42.857 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.593 2.517 -42.813 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.778 3.247 -41.766 1.00 0.00 N ATOM 0 H ASN A 53 2.705 1.285 -43.413 1.00 0.00 H new ATOM 0 HA ASN A 53 1.884 4.010 -43.441 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.164 2.622 -44.938 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.094 4.321 -44.511 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.167 3.010 -40.853 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.849 3.663 -41.832 1.00 0.00 H new ATOM 848 N GLU A 54 0.486 3.062 -45.583 1.00 0.00 N ATOM 849 CA GLU A 54 -0.374 3.286 -46.694 1.00 0.00 C ATOM 850 C GLU A 54 -1.243 4.494 -46.355 1.00 0.00 C ATOM 851 O GLU A 54 -1.622 5.277 -47.228 1.00 0.00 O ATOM 852 CB GLU A 54 -1.271 2.070 -46.860 1.00 0.00 C ATOM 853 CG GLU A 54 -0.515 0.762 -46.931 1.00 0.00 C ATOM 854 CD GLU A 54 -1.429 -0.433 -46.957 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.157 -0.620 -47.950 1.00 0.00 O ATOM 856 OE2 GLU A 54 -1.455 -1.192 -45.980 1.00 0.00 O ATOM 0 H GLU A 54 0.062 2.464 -44.874 1.00 0.00 H new ATOM 0 HA GLU A 54 0.194 3.456 -47.609 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.972 2.030 -46.026 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.863 2.187 -47.768 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.111 0.756 -47.824 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.153 0.685 -46.073 1.00 0.00 H new ATOM 863 N ASN A 55 -1.520 4.621 -45.043 1.00 0.00 N ATOM 864 CA ASN A 55 -2.379 5.677 -44.455 1.00 0.00 C ATOM 865 C ASN A 55 -2.581 5.389 -42.966 1.00 0.00 C ATOM 866 O ASN A 55 -2.844 6.290 -42.169 1.00 0.00 O ATOM 867 CB ASN A 55 -3.774 5.716 -45.126 1.00 0.00 C ATOM 868 CG ASN A 55 -4.817 4.763 -44.501 1.00 0.00 C ATOM 869 OD1 ASN A 55 -5.597 5.144 -43.626 1.00 0.00 O ATOM 870 ND2 ASN A 55 -4.788 3.516 -44.873 1.00 0.00 N ATOM 0 H ASN A 55 -1.146 3.980 -44.343 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.883 6.635 -44.612 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.158 6.735 -45.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.662 5.468 -46.181 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.416 2.840 -44.439 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.137 3.215 -45.598 1.00 0.00 H new ATOM 877 N SER A 56 -2.510 4.118 -42.602 1.00 0.00 N ATOM 878 CA SER A 56 -2.745 3.727 -41.263 1.00 0.00 C ATOM 879 C SER A 56 -1.453 3.530 -40.522 1.00 0.00 C ATOM 880 O SER A 56 -0.395 3.493 -41.120 1.00 0.00 O ATOM 881 CB SER A 56 -3.582 2.465 -41.238 1.00 0.00 C ATOM 882 OG SER A 56 -4.776 2.648 -41.990 1.00 0.00 O ATOM 0 H SER A 56 -2.288 3.351 -43.237 1.00 0.00 H new ATOM 0 HA SER A 56 -3.293 4.523 -40.758 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.010 1.633 -41.649 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.829 2.205 -40.209 1.00 0.00 H new ATOM 0 HG SER A 56 -5.287 1.812 -42.001 1.00 0.00 H new ATOM 888 N PHE A 57 -1.534 3.473 -39.232 1.00 0.00 N ATOM 889 CA PHE A 57 -0.397 3.226 -38.390 1.00 0.00 C ATOM 890 C PHE A 57 -0.913 2.508 -37.168 1.00 0.00 C ATOM 891 O PHE A 57 -2.120 2.451 -36.974 1.00 0.00 O ATOM 892 CB PHE A 57 0.284 4.532 -37.966 1.00 0.00 C ATOM 893 CG PHE A 57 0.692 5.447 -39.096 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.940 5.333 -39.682 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.188 6.404 -39.585 1.00 0.00 C ATOM 896 CE1 PHE A 57 2.303 6.153 -40.732 1.00 0.00 C ATOM 897 CE2 PHE A 57 0.173 7.226 -40.634 1.00 0.00 C ATOM 898 CZ PHE A 57 1.419 7.098 -41.207 1.00 0.00 C ATOM 0 H PHE A 57 -2.407 3.599 -38.719 1.00 0.00 H new ATOM 0 HA PHE A 57 0.345 2.636 -38.929 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.392 5.076 -37.306 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.171 4.286 -37.382 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.638 4.595 -39.314 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.166 6.506 -39.139 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.280 6.054 -41.181 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.520 7.967 -41.004 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.704 7.738 -42.029 1.00 0.00 H new ATOM 908 N ALA A 58 -0.044 1.975 -36.362 1.00 0.00 N ATOM 909 CA ALA A 58 -0.463 1.262 -35.172 1.00 0.00 C ATOM 910 C ALA A 58 0.249 1.801 -33.989 1.00 0.00 C ATOM 911 O ALA A 58 1.223 2.523 -34.139 1.00 0.00 O ATOM 912 CB ALA A 58 -0.214 -0.232 -35.290 1.00 0.00 C ATOM 0 H ALA A 58 0.966 2.016 -36.500 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.537 1.409 -35.056 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.542 -0.729 -34.377 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.771 -0.628 -36.139 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.851 -0.413 -35.439 1.00 0.00 H new ATOM 918 N ILE A 59 -0.228 1.469 -32.834 1.00 0.00 N ATOM 919 CA ILE A 59 0.365 1.895 -31.622 1.00 0.00 C ATOM 920 C ILE A 59 0.060 0.895 -30.531 1.00 0.00 C ATOM 921 O ILE A 59 -0.997 0.273 -30.524 1.00 0.00 O ATOM 922 CB ILE A 59 -0.141 3.306 -31.217 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.613 3.789 -29.994 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.650 3.297 -30.930 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.450 5.238 -29.728 1.00 0.00 C ATOM 0 H ILE A 59 -1.055 0.884 -32.711 1.00 0.00 H new ATOM 0 HA ILE A 59 1.444 1.957 -31.766 1.00 0.00 H new ATOM 0 HB ILE A 59 0.040 3.984 -32.051 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.273 3.228 -29.123 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.673 3.569 -30.121 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.973 4.299 -30.649 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.188 2.979 -31.823 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.861 2.606 -30.114 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.018 5.511 -28.838 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.817 5.808 -30.581 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.605 5.462 -29.568 1.00 0.00 H new ATOM 937 N THR A 60 0.977 0.710 -29.656 1.00 0.00 N ATOM 938 CA THR A 60 0.824 -0.060 -28.582 1.00 0.00 C ATOM 939 C THR A 60 0.741 0.897 -27.397 1.00 0.00 C ATOM 940 O THR A 60 1.713 1.547 -27.036 1.00 0.00 O ATOM 941 CB THR A 60 2.009 -0.996 -28.516 1.00 0.00 C ATOM 942 OG1 THR A 60 1.877 -2.015 -29.517 1.00 0.00 O ATOM 943 CG2 THR A 60 2.133 -1.565 -27.179 1.00 0.00 C ATOM 0 H THR A 60 1.899 1.142 -29.718 1.00 0.00 H new ATOM 0 HA THR A 60 -0.071 -0.682 -28.596 1.00 0.00 H new ATOM 0 HB THR A 60 2.924 -0.439 -28.719 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.648 -2.619 -29.473 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.991 -2.237 -27.148 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.273 -0.763 -26.454 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.228 -2.121 -26.935 1.00 0.00 H new ATOM 951 N THR A 61 -0.434 1.048 -26.900 1.00 0.00 N ATOM 952 CA THR A 61 -0.706 1.960 -25.850 1.00 0.00 C ATOM 953 C THR A 61 -1.888 1.407 -25.053 1.00 0.00 C ATOM 954 O THR A 61 -2.590 0.536 -25.535 1.00 0.00 O ATOM 955 CB THR A 61 -1.045 3.363 -26.444 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.077 4.342 -25.406 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.397 3.343 -27.155 1.00 0.00 C ATOM 0 H THR A 61 -1.251 0.529 -27.220 1.00 0.00 H new ATOM 0 HA THR A 61 0.160 2.075 -25.199 1.00 0.00 H new ATOM 0 HB THR A 61 -0.269 3.617 -27.166 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.000 5.237 -25.798 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.610 4.332 -27.560 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.370 2.617 -27.967 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.177 3.066 -26.446 1.00 0.00 H new ATOM 965 N SER A 62 -2.096 1.870 -23.855 1.00 0.00 N ATOM 966 CA SER A 62 -3.208 1.377 -23.077 1.00 0.00 C ATOM 967 C SER A 62 -4.230 2.482 -22.817 1.00 0.00 C ATOM 968 O SER A 62 -5.184 2.297 -22.061 1.00 0.00 O ATOM 969 CB SER A 62 -2.713 0.736 -21.781 1.00 0.00 C ATOM 970 OG SER A 62 -3.758 0.106 -21.069 1.00 0.00 O ATOM 0 H SER A 62 -1.523 2.578 -23.396 1.00 0.00 H new ATOM 0 HA SER A 62 -3.717 0.603 -23.652 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.939 0.004 -22.011 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.254 1.499 -21.152 1.00 0.00 H new ATOM 0 HG SER A 62 -4.572 0.647 -21.137 1.00 0.00 H new ATOM 976 N LEU A 63 -4.033 3.616 -23.446 1.00 0.00 N ATOM 977 CA LEU A 63 -4.985 4.697 -23.354 1.00 0.00 C ATOM 978 C LEU A 63 -6.104 4.482 -24.348 1.00 0.00 C ATOM 979 O LEU A 63 -6.009 3.601 -25.215 1.00 0.00 O ATOM 980 CB LEU A 63 -4.303 6.075 -23.477 1.00 0.00 C ATOM 981 CG LEU A 63 -3.334 6.286 -24.633 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.028 6.568 -25.922 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.293 7.335 -24.303 1.00 0.00 C ATOM 0 H LEU A 63 -3.220 3.814 -24.029 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.434 4.694 -22.361 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.085 6.830 -23.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.764 6.266 -22.549 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.808 5.342 -24.776 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.288 6.710 -26.710 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.675 5.729 -26.178 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.629 7.472 -25.822 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.619 7.458 -25.151 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.787 8.283 -24.091 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.723 7.019 -23.429 1.00 0.00 H new ATOM 995 N ALA A 64 -7.146 5.246 -24.240 1.00 0.00 N ATOM 996 CA ALA A 64 -8.296 5.006 -25.066 1.00 0.00 C ATOM 997 C ALA A 64 -8.187 5.684 -26.413 1.00 0.00 C ATOM 998 O ALA A 64 -7.308 6.512 -26.628 1.00 0.00 O ATOM 999 CB ALA A 64 -9.586 5.378 -24.357 1.00 0.00 C ATOM 0 H ALA A 64 -7.228 6.033 -23.597 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.325 3.933 -25.255 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.432 5.182 -25.015 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.687 4.783 -23.449 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.566 6.436 -24.097 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.109 5.346 -27.299 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.151 5.866 -28.659 1.00 0.00 C ATOM 1007 C ALA A 65 -9.160 7.384 -28.688 1.00 0.00 C ATOM 1008 O ALA A 65 -8.367 8.004 -29.394 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.356 5.302 -29.398 1.00 0.00 C ATOM 0 H ALA A 65 -9.863 4.691 -27.091 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.242 5.544 -29.166 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.378 5.697 -30.414 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.285 4.215 -29.433 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.269 5.589 -28.877 1.00 0.00 H new ATOM 1015 N SER A 66 -9.993 7.967 -27.862 1.00 0.00 N ATOM 1016 CA SER A 66 -10.123 9.410 -27.795 1.00 0.00 C ATOM 1017 C SER A 66 -8.872 10.054 -27.178 1.00 0.00 C ATOM 1018 O SER A 66 -8.659 11.265 -27.276 1.00 0.00 O ATOM 1019 CB SER A 66 -11.353 9.753 -26.980 1.00 0.00 C ATOM 1020 OG SER A 66 -12.497 9.046 -27.471 1.00 0.00 O ATOM 0 H SER A 66 -10.600 7.461 -27.217 1.00 0.00 H new ATOM 0 HA SER A 66 -10.227 9.805 -28.806 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.184 9.500 -25.933 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.536 10.827 -27.023 1.00 0.00 H new ATOM 0 HG SER A 66 -13.282 9.278 -26.932 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.042 9.240 -26.559 1.00 0.00 N ATOM 1027 CA GLU A 67 -6.839 9.723 -25.950 1.00 0.00 C ATOM 1028 C GLU A 67 -5.735 9.717 -26.977 1.00 0.00 C ATOM 1029 O GLU A 67 -4.933 10.640 -27.024 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.472 8.868 -24.746 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.493 8.919 -23.622 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.489 10.225 -22.853 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.704 11.305 -23.447 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.271 10.185 -21.624 1.00 0.00 O ATOM 0 H GLU A 67 -8.188 8.235 -26.469 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.990 10.742 -25.594 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.353 7.834 -25.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.506 9.195 -24.361 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.487 8.756 -24.039 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.299 8.100 -22.930 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.706 8.663 -27.819 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.722 8.584 -28.913 1.00 0.00 C ATOM 1043 C ILE A 68 -4.877 9.795 -29.800 1.00 0.00 C ATOM 1044 O ILE A 68 -3.892 10.407 -30.199 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.870 7.329 -29.821 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.332 6.108 -29.028 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.550 7.051 -30.515 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.165 4.781 -29.710 1.00 0.00 C ATOM 0 H ILE A 68 -6.343 7.868 -27.763 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.747 8.528 -28.430 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.637 7.533 -30.568 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.784 6.082 -28.086 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.386 6.237 -28.780 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.652 6.172 -31.152 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.271 7.910 -31.125 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.777 6.870 -29.768 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.526 3.988 -29.055 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.737 4.774 -30.638 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.111 4.617 -29.933 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.129 10.146 -30.089 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.420 11.321 -30.881 1.00 0.00 C ATOM 1062 C GLU A 69 -5.820 12.543 -30.246 1.00 0.00 C ATOM 1063 O GLU A 69 -5.057 13.234 -30.882 1.00 0.00 O ATOM 1064 CB GLU A 69 -7.906 11.541 -31.046 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.593 10.479 -31.836 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.075 10.654 -31.844 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.687 10.647 -30.765 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.660 10.819 -32.928 1.00 0.00 O ATOM 0 H GLU A 69 -6.952 9.628 -29.783 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.983 11.153 -31.865 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.366 11.600 -30.059 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.069 12.503 -31.532 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.221 10.493 -32.861 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.346 9.502 -31.420 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.140 12.768 -28.971 1.00 0.00 N ATOM 1076 CA ASP A 70 -5.653 13.945 -28.220 1.00 0.00 C ATOM 1077 C ASP A 70 -4.142 14.042 -28.256 1.00 0.00 C ATOM 1078 O ASP A 70 -3.589 15.124 -28.486 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.161 13.940 -26.775 1.00 0.00 C ATOM 1080 CG ASP A 70 -5.647 15.121 -25.967 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.040 16.278 -26.267 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -4.882 14.905 -24.984 1.00 0.00 O ATOM 0 H ASP A 70 -6.740 12.149 -28.425 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.057 14.828 -28.715 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.251 13.954 -26.778 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.855 13.013 -26.290 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.490 12.900 -28.085 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.042 12.789 -28.185 1.00 0.00 C ATOM 1089 C LEU A 71 -1.556 13.355 -29.504 1.00 0.00 C ATOM 1090 O LEU A 71 -0.667 14.186 -29.545 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.615 11.320 -28.083 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.016 10.859 -26.763 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.018 10.953 -25.629 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.474 9.452 -26.907 1.00 0.00 C ATOM 0 H LEU A 71 -3.955 12.018 -27.871 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.601 13.356 -27.365 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.486 10.700 -28.293 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.887 11.125 -28.871 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.192 11.526 -26.509 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.552 10.615 -24.703 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.343 11.987 -25.515 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.880 10.324 -25.852 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.046 9.128 -25.958 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.282 8.778 -27.190 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.298 9.436 -27.677 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.186 12.942 -30.565 1.00 0.00 N ATOM 1107 CA ILE A 72 -1.801 13.358 -31.884 1.00 0.00 C ATOM 1108 C ILE A 72 -2.199 14.818 -32.135 1.00 0.00 C ATOM 1109 O ILE A 72 -1.423 15.597 -32.699 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.462 12.441 -32.928 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -1.990 11.013 -32.711 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.134 12.896 -34.350 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -2.923 9.994 -33.268 1.00 0.00 C ATOM 0 H ILE A 72 -2.983 12.306 -30.541 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.717 13.283 -31.971 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.544 12.493 -32.805 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.010 10.888 -33.171 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.866 10.837 -31.642 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.615 12.229 -35.065 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.498 13.912 -34.500 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.055 12.872 -34.500 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.527 8.996 -33.079 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.898 10.094 -32.791 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.028 10.145 -34.342 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.380 15.195 -31.665 1.00 0.00 N ATOM 1126 CA ARG A 73 -3.902 16.518 -31.917 1.00 0.00 C ATOM 1127 C ARG A 73 -3.063 17.594 -31.234 1.00 0.00 C ATOM 1128 O ARG A 73 -2.797 18.631 -31.815 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.370 16.666 -31.514 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.290 15.620 -32.121 1.00 0.00 C ATOM 1131 CD ARG A 73 -6.322 15.558 -33.649 1.00 0.00 C ATOM 1132 NE ARG A 73 -6.670 16.840 -34.304 1.00 0.00 N ATOM 1133 CZ ARG A 73 -7.079 16.971 -35.586 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -7.525 15.912 -36.270 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -7.107 18.171 -36.149 1.00 0.00 N ATOM 0 H ARG A 73 -3.990 14.598 -31.107 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.843 16.657 -32.996 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.444 16.613 -30.428 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.718 17.656 -31.809 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.993 14.641 -31.744 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.303 15.805 -31.764 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.345 15.233 -34.008 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.043 14.800 -33.955 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.595 17.690 -33.745 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.559 14.995 -35.825 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.831 16.021 -37.237 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.821 18.992 -35.615 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.415 18.274 -37.116 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.578 17.322 -30.021 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.795 18.327 -29.313 1.00 0.00 C ATOM 1151 C LEU A 74 -0.336 18.323 -29.804 1.00 0.00 C ATOM 1152 O LEU A 74 0.460 19.199 -29.471 1.00 0.00 O ATOM 1153 CB LEU A 74 -1.937 18.189 -27.768 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.273 16.995 -27.068 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.160 17.319 -26.695 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.054 16.586 -25.838 1.00 0.00 C ATOM 0 H LEU A 74 -2.709 16.441 -29.523 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.198 19.312 -29.549 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.539 19.098 -27.318 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.002 18.157 -27.536 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.269 16.159 -27.767 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.611 16.459 -26.200 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.726 17.557 -27.596 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.176 18.175 -26.020 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.563 15.738 -25.360 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.096 17.422 -25.139 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.066 16.303 -26.127 1.00 0.00 H new ATOM 1168 N LYS A 75 0.001 17.338 -30.616 1.00 0.00 N ATOM 1169 CA LYS A 75 1.308 17.276 -31.251 1.00 0.00 C ATOM 1170 C LYS A 75 1.269 18.040 -32.570 1.00 0.00 C ATOM 1171 O LYS A 75 2.294 18.314 -33.190 1.00 0.00 O ATOM 1172 CB LYS A 75 1.795 15.819 -31.438 1.00 0.00 C ATOM 1173 CG LYS A 75 2.656 15.277 -30.281 1.00 0.00 C ATOM 1174 CD LYS A 75 1.972 15.414 -28.942 1.00 0.00 C ATOM 1175 CE LYS A 75 2.854 15.010 -27.773 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.221 13.586 -27.787 1.00 0.00 N ATOM 0 H LYS A 75 -0.617 16.563 -30.854 1.00 0.00 H new ATOM 0 HA LYS A 75 2.037 17.752 -30.594 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.926 15.172 -31.561 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.371 15.758 -32.361 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.885 14.227 -30.463 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.606 15.811 -30.257 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.654 16.448 -28.808 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.071 14.801 -28.937 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.762 15.612 -27.787 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.336 15.236 -26.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.919 13.141 -26.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.752 13.115 -28.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.252 13.494 -27.887 1.00 0.00 H new ATOM 1190 N CYS A 76 0.066 18.438 -32.955 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.155 19.225 -34.150 1.00 0.00 C ATOM 1192 C CYS A 76 0.215 20.690 -33.880 1.00 0.00 C ATOM 1193 O CYS A 76 0.261 21.511 -34.785 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.618 19.096 -34.588 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.093 20.025 -36.065 1.00 0.00 S ATOM 0 H CYS A 76 -0.788 18.220 -32.441 1.00 0.00 H new ATOM 0 HA CYS A 76 0.478 18.856 -34.957 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.832 18.042 -34.763 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.253 19.417 -33.762 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.394 21.119 -36.133 1.00 0.00 H new ATOM 1201 N LEU A 77 0.484 20.998 -32.621 1.00 0.00 N ATOM 1202 CA LEU A 77 0.902 22.327 -32.219 1.00 0.00 C ATOM 1203 C LEU A 77 2.345 22.569 -32.657 1.00 0.00 C ATOM 1204 O LEU A 77 2.779 23.712 -32.811 1.00 0.00 O ATOM 1205 CB LEU A 77 0.791 22.473 -30.697 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.589 22.190 -30.088 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.555 22.359 -28.580 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.650 23.082 -30.706 1.00 0.00 C ATOM 0 H LEU A 77 0.418 20.332 -31.851 1.00 0.00 H new ATOM 0 HA LEU A 77 0.254 23.063 -32.695 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.514 21.801 -30.235 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.083 23.488 -30.428 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.850 21.155 -30.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.543 22.154 -28.169 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.168 21.664 -28.152 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.265 23.381 -28.335 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.618 22.861 -30.257 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.397 24.127 -30.526 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.698 22.900 -31.780 1.00 0.00 H new ATOM 1220 N ASP A 78 3.072 21.478 -32.862 1.00 0.00 N ATOM 1221 CA ASP A 78 4.474 21.536 -33.278 1.00 0.00 C ATOM 1222 C ASP A 78 4.531 21.873 -34.736 1.00 0.00 C ATOM 1223 O ASP A 78 5.316 22.701 -35.178 1.00 0.00 O ATOM 1224 CB ASP A 78 5.133 20.176 -33.092 1.00 0.00 C ATOM 1225 CG ASP A 78 6.656 20.224 -33.203 1.00 0.00 C ATOM 1226 OD1 ASP A 78 7.203 20.299 -34.316 1.00 0.00 O ATOM 1227 OD2 ASP A 78 7.346 20.172 -32.154 1.00 0.00 O ATOM 0 H ASP A 78 2.712 20.531 -32.746 1.00 0.00 H new ATOM 0 HA ASP A 78 4.990 22.285 -32.677 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.859 19.777 -32.115 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.742 19.485 -33.839 1.00 0.00 H new ATOM 1232 N LEU A 79 3.682 21.211 -35.479 1.00 0.00 N ATOM 1233 CA LEU A 79 3.633 21.396 -36.908 1.00 0.00 C ATOM 1234 C LEU A 79 2.886 22.697 -37.258 1.00 0.00 C ATOM 1235 O LEU A 79 2.134 23.226 -36.427 1.00 0.00 O ATOM 1236 CB LEU A 79 2.998 20.140 -37.570 1.00 0.00 C ATOM 1237 CG LEU A 79 1.524 19.843 -37.269 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.595 20.670 -38.129 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.229 18.372 -37.401 1.00 0.00 C ATOM 0 H LEU A 79 3.011 20.534 -35.116 1.00 0.00 H new ATOM 0 HA LEU A 79 4.642 21.503 -37.305 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.106 20.240 -38.650 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.583 19.271 -37.270 1.00 0.00 H new ATOM 0 HG LEU A 79 1.341 20.130 -36.234 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.439 20.429 -37.884 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.774 21.729 -37.944 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.779 20.449 -39.180 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.177 18.191 -37.182 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.449 18.047 -38.418 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.847 17.812 -36.699 1.00 0.00 H new ATOM 1251 N PRO A 80 3.130 23.245 -38.467 1.00 0.00 N ATOM 1252 CA PRO A 80 2.438 24.445 -38.958 1.00 0.00 C ATOM 1253 C PRO A 80 0.895 24.279 -38.984 1.00 0.00 C ATOM 1254 O PRO A 80 0.196 24.788 -38.104 1.00 0.00 O ATOM 1255 CB PRO A 80 3.011 24.656 -40.379 1.00 0.00 C ATOM 1256 CG PRO A 80 3.785 23.418 -40.704 1.00 0.00 C ATOM 1257 CD PRO A 80 4.156 22.780 -39.406 1.00 0.00 C ATOM 0 HA PRO A 80 2.604 25.301 -38.304 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.211 24.816 -41.102 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.652 25.537 -40.413 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.187 22.738 -41.311 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.676 23.661 -41.282 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.160 21.693 -39.484 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.154 23.081 -39.086 1.00 0.00 H new ATOM 1265 N ASP A 81 0.383 23.521 -39.956 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.067 23.256 -40.087 1.00 0.00 C ATOM 1267 C ASP A 81 -1.321 22.200 -41.134 1.00 0.00 C ATOM 1268 O ASP A 81 -0.688 22.203 -42.192 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.870 24.530 -40.439 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.325 24.248 -40.823 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.146 23.914 -39.938 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -3.677 24.389 -42.020 1.00 0.00 O ATOM 0 H ASP A 81 0.951 23.072 -40.675 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.408 22.902 -39.114 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.853 25.208 -39.586 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.378 25.044 -41.265 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.229 21.309 -40.836 1.00 0.00 N ATOM 1278 CA ILE A 82 -2.630 20.267 -41.710 1.00 0.00 C ATOM 1279 C ILE A 82 -4.040 19.870 -41.381 1.00 0.00 C ATOM 1280 O ILE A 82 -4.400 19.696 -40.219 1.00 0.00 O ATOM 1281 CB ILE A 82 -1.689 19.017 -41.690 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -2.348 17.837 -42.429 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.274 18.636 -40.282 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.494 16.617 -42.538 1.00 0.00 C ATOM 0 H ILE A 82 -2.721 21.299 -39.942 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.564 20.660 -42.725 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.773 19.282 -42.218 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.272 17.573 -41.914 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.624 18.162 -43.432 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.622 17.763 -40.318 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.741 19.468 -39.822 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.160 18.402 -39.692 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.038 15.838 -43.072 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.581 16.859 -43.081 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.239 16.261 -41.540 1.00 0.00 H new ATOM 1296 N ASP A 83 -4.827 19.797 -42.390 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.197 19.371 -42.287 1.00 0.00 C ATOM 1298 C ASP A 83 -6.223 17.859 -42.272 1.00 0.00 C ATOM 1299 O ASP A 83 -6.142 17.227 -43.317 1.00 0.00 O ATOM 1300 CB ASP A 83 -6.987 19.889 -43.487 1.00 0.00 C ATOM 1301 CG ASP A 83 -8.476 19.751 -43.326 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.085 20.663 -42.731 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -9.076 18.765 -43.811 1.00 0.00 O ATOM 0 H ASP A 83 -4.541 20.035 -43.340 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.647 19.763 -41.375 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.742 20.939 -43.648 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.674 19.348 -44.380 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.226 17.274 -41.106 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.236 15.836 -41.035 1.00 0.00 C ATOM 1310 C PHE A 84 -7.286 15.330 -40.089 1.00 0.00 C ATOM 1311 O PHE A 84 -7.637 15.984 -39.087 1.00 0.00 O ATOM 1312 CB PHE A 84 -4.853 15.245 -40.653 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.404 15.505 -39.232 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -3.771 16.674 -38.903 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -4.618 14.562 -38.235 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.353 16.921 -37.608 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.203 14.795 -36.938 1.00 0.00 C ATOM 1318 CZ PHE A 84 -3.569 15.979 -36.624 1.00 0.00 C ATOM 0 H PHE A 84 -6.222 17.757 -40.208 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.478 15.494 -42.041 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.880 14.168 -40.816 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.104 15.651 -41.332 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.595 17.416 -39.668 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.115 13.634 -38.477 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.858 17.850 -37.368 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.374 14.053 -36.173 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.243 16.168 -35.612 1.00 0.00 H new ATOM 1328 N ASP A 85 -7.758 14.176 -40.397 1.00 0.00 N ATOM 1329 CA ASP A 85 -8.700 13.461 -39.591 1.00 0.00 C ATOM 1330 C ASP A 85 -8.081 12.125 -39.345 1.00 0.00 C ATOM 1331 O ASP A 85 -7.234 11.689 -40.137 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.047 13.261 -40.314 1.00 0.00 C ATOM 1333 CG ASP A 85 -10.742 14.542 -40.711 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -11.375 15.193 -39.850 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -10.701 14.909 -41.916 1.00 0.00 O ATOM 0 H ASP A 85 -7.493 13.679 -41.248 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.910 14.015 -38.676 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.879 12.662 -41.209 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.711 12.688 -39.666 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.421 11.494 -38.272 1.00 0.00 N ATOM 1341 CA LEU A 86 -7.908 10.199 -37.993 1.00 0.00 C ATOM 1342 C LEU A 86 -9.017 9.352 -37.428 1.00 0.00 C ATOM 1343 O LEU A 86 -9.975 9.877 -36.863 1.00 0.00 O ATOM 1344 CB LEU A 86 -6.750 10.257 -36.995 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.117 10.497 -35.517 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -5.989 10.095 -34.622 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.467 11.945 -35.259 1.00 0.00 C ATOM 0 H LEU A 86 -9.060 11.861 -37.567 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.528 9.768 -38.919 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.198 9.319 -37.060 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.070 11.049 -37.309 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.992 9.884 -35.299 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.268 10.272 -33.583 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.772 9.036 -34.764 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.104 10.683 -34.865 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.720 12.076 -34.207 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.614 12.576 -35.508 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.320 12.229 -35.876 1.00 0.00 H new ATOM 1359 N ASN A 87 -8.913 8.085 -37.613 1.00 0.00 N ATOM 1360 CA ASN A 87 -9.843 7.168 -37.060 1.00 0.00 C ATOM 1361 C ASN A 87 -9.091 6.126 -36.275 1.00 0.00 C ATOM 1362 O ASN A 87 -8.312 5.356 -36.853 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.667 6.508 -38.175 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.595 5.425 -37.652 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.108 4.226 -37.614 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.739 5.672 -37.285 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.170 7.650 -38.160 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.530 7.696 -36.399 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.255 7.270 -38.686 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.992 6.077 -38.914 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.093 6.628 -37.327 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.336 4.922 -36.937 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.255 6.140 -34.983 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.665 5.142 -34.139 1.00 0.00 C ATOM 1375 C ILE A 88 -9.549 3.902 -34.130 1.00 0.00 C ATOM 1376 O ILE A 88 -10.780 4.000 -34.049 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.494 5.639 -32.686 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.572 6.870 -32.624 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -7.933 4.508 -31.821 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.178 6.596 -33.110 1.00 0.00 C ATOM 0 H ILE A 88 -9.801 6.843 -34.486 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.677 4.914 -34.540 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.470 5.937 -32.304 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.007 7.671 -33.222 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.526 7.229 -31.596 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.813 4.859 -30.796 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.621 3.663 -31.836 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.965 4.195 -32.213 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.582 7.506 -33.039 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.725 5.817 -32.496 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.213 6.266 -34.148 1.00 0.00 H new ATOM 1392 N MET A 89 -8.937 2.771 -34.245 1.00 0.00 N ATOM 1393 CA MET A 89 -9.611 1.515 -34.186 1.00 0.00 C ATOM 1394 C MET A 89 -8.625 0.518 -33.618 1.00 0.00 C ATOM 1395 O MET A 89 -7.441 0.763 -33.637 1.00 0.00 O ATOM 1396 CB MET A 89 -10.090 1.062 -35.596 1.00 0.00 C ATOM 1397 CG MET A 89 -8.993 0.487 -36.500 1.00 0.00 C ATOM 1398 SD MET A 89 -9.553 0.131 -38.185 1.00 0.00 S ATOM 1399 CE MET A 89 -9.620 1.760 -38.890 1.00 0.00 C ATOM 0 H MET A 89 -7.930 2.691 -34.386 1.00 0.00 H new ATOM 0 HA MET A 89 -10.502 1.591 -33.562 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.870 0.311 -35.474 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.545 1.915 -36.100 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.163 1.192 -36.544 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.609 -0.430 -36.053 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.199 1.739 -39.895 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.657 2.093 -38.938 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.046 2.449 -38.270 1.00 0.00 H new ATOM 1409 N THR A 90 -9.088 -0.528 -33.056 1.00 0.00 N ATOM 1410 CA THR A 90 -8.245 -1.592 -32.617 1.00 0.00 C ATOM 1411 C THR A 90 -7.629 -2.313 -33.822 1.00 0.00 C ATOM 1412 O THR A 90 -8.255 -2.403 -34.873 1.00 0.00 O ATOM 1413 CB THR A 90 -9.112 -2.543 -31.822 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.474 -2.260 -32.183 1.00 0.00 O ATOM 1415 CG2 THR A 90 -8.946 -2.306 -30.353 1.00 0.00 C ATOM 0 H THR A 90 -10.081 -0.683 -32.880 1.00 0.00 H new ATOM 0 HA THR A 90 -7.426 -1.212 -32.007 1.00 0.00 H new ATOM 0 HB THR A 90 -8.835 -3.575 -32.036 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.983 -3.097 -32.221 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.578 -3.000 -29.799 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.904 -2.463 -30.075 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.235 -1.282 -30.115 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.403 -2.788 -33.667 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.688 -3.544 -34.710 1.00 0.00 C ATOM 1425 C VAL A 91 -6.555 -4.698 -35.255 1.00 0.00 C ATOM 1426 O VAL A 91 -6.661 -4.893 -36.475 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.366 -4.121 -34.144 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.678 -5.028 -35.146 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.415 -3.024 -33.727 1.00 0.00 C ATOM 0 H VAL A 91 -5.863 -2.664 -32.811 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.468 -2.856 -35.526 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.635 -4.707 -33.266 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.755 -5.414 -34.714 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.337 -5.860 -35.396 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.447 -4.463 -36.049 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.499 -3.466 -33.335 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.177 -2.401 -34.589 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.882 -2.412 -32.955 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.201 -5.411 -34.345 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.077 -6.547 -34.673 1.00 0.00 C ATOM 1441 C ASP A 92 -9.220 -6.091 -35.558 1.00 0.00 C ATOM 1442 O ASP A 92 -9.607 -6.764 -36.509 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.656 -7.143 -33.385 1.00 0.00 C ATOM 1444 CG ASP A 92 -7.599 -7.606 -32.423 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -6.913 -6.739 -31.829 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -7.444 -8.829 -32.215 1.00 0.00 O ATOM 0 H ASP A 92 -7.137 -5.222 -33.345 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.488 -7.298 -35.199 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.282 -6.397 -32.896 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.301 -7.984 -33.639 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.695 -4.904 -35.289 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.823 -4.331 -36.008 1.00 0.00 C ATOM 1453 C ASP A 93 -10.365 -3.661 -37.281 1.00 0.00 C ATOM 1454 O ASP A 93 -11.164 -3.238 -38.101 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.609 -3.356 -35.127 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.408 -4.053 -34.045 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -11.874 -4.273 -32.929 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -13.585 -4.375 -34.281 1.00 0.00 O ATOM 0 H ASP A 93 -9.315 -4.297 -34.563 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.494 -5.147 -36.277 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.916 -2.653 -34.664 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.285 -2.773 -35.752 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.085 -3.593 -37.454 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.512 -3.023 -38.627 1.00 0.00 C ATOM 1465 C TYR A 94 -8.266 -4.079 -39.672 1.00 0.00 C ATOM 1466 O TYR A 94 -8.791 -4.001 -40.782 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.220 -2.303 -38.288 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.458 -1.802 -39.487 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.926 -0.736 -40.232 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.262 -2.395 -39.864 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.236 -0.271 -41.320 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.558 -1.934 -40.962 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.055 -0.869 -41.686 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.370 -0.395 -42.783 1.00 0.00 O ATOM 0 H TYR A 94 -8.402 -3.935 -36.778 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.219 -2.300 -39.034 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.448 -1.458 -37.638 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.579 -2.978 -37.721 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.854 -0.260 -39.951 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.876 -3.227 -39.293 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.619 0.563 -41.888 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.629 -2.403 -41.250 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.554 -0.922 -42.912 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.486 -5.071 -39.310 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.097 -6.135 -40.237 1.00 0.00 C ATOM 1486 C PHE A 95 -8.242 -6.985 -40.727 1.00 0.00 C ATOM 1487 O PHE A 95 -8.112 -7.706 -41.699 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.006 -6.996 -39.676 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.674 -6.324 -39.671 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.175 -5.757 -40.831 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -3.929 -6.235 -38.515 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -2.962 -5.118 -40.836 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.710 -5.596 -38.514 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.226 -5.035 -39.677 1.00 0.00 C ATOM 0 H PHE A 95 -7.099 -5.173 -38.372 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.716 -5.608 -41.112 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.265 -7.283 -38.657 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.941 -7.915 -40.259 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.749 -5.819 -41.744 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.305 -6.671 -37.601 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.585 -4.680 -41.749 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.133 -5.534 -37.603 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.271 -4.531 -39.678 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.342 -6.912 -40.048 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.550 -7.584 -40.492 1.00 0.00 C ATOM 1506 C ARG A 96 -11.045 -6.995 -41.830 1.00 0.00 C ATOM 1507 O ARG A 96 -11.828 -7.613 -42.549 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.633 -7.578 -39.382 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.120 -6.210 -38.892 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.077 -5.511 -39.854 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.272 -6.311 -40.141 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.308 -5.907 -40.893 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.356 -4.666 -41.367 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.304 -6.750 -41.151 1.00 0.00 N ATOM 0 H ARG A 96 -9.442 -6.393 -39.176 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.319 -8.632 -40.683 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.496 -8.134 -39.748 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.242 -8.125 -38.524 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.616 -6.336 -37.930 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.256 -5.567 -38.724 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.379 -4.554 -39.429 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.556 -5.296 -40.787 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.320 -7.247 -39.738 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.601 -4.012 -41.160 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.147 -4.368 -41.938 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.279 -7.699 -40.778 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.093 -6.447 -41.722 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.578 -5.786 -42.139 1.00 0.00 N ATOM 1529 CA GLN A 97 -10.907 -5.121 -43.386 1.00 0.00 C ATOM 1530 C GLN A 97 -9.932 -5.580 -44.458 1.00 0.00 C ATOM 1531 O GLN A 97 -10.317 -6.189 -45.457 1.00 0.00 O ATOM 1532 CB GLN A 97 -10.778 -3.601 -43.241 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.598 -2.988 -42.128 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.316 -1.514 -41.968 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.334 -1.208 -41.169 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -11.962 -0.667 -42.578 1.00 0.00 N flip ATOM 0 H GLN A 97 -9.963 -5.246 -41.530 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.934 -5.371 -43.654 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.729 -3.356 -43.075 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.069 -3.136 -44.183 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.658 -3.135 -42.335 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.382 -3.503 -41.192 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.724 -0.952 -43.194 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.737 0.322 -42.469 1.00 0.00 H new