USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 74 ASN :FLIP amide:sc= 0.818 F(o=-2.1!,f=1.4) USER MOD Set 1.2: A 93 SER OG : rot -87:sc= 0.622 USER MOD Single : A 13 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 27 THR OG1 : rot 59:sc= 0.202 USER MOD Single : A 32 GLN : amide:sc= -0.0719 K(o=-0.072,f=-0.9) USER MOD Single : A 34 GLN : amide:sc= -4.99! C(o=-5!,f=-5.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 129:sc= 1.72 USER MOD Single : A 61 CYS SG : rot -68:sc= -3.18! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -158:sc= -0.124 (180deg=-0.773) USER MOD Single : A 78 THR OG1 : rot 134:sc= -0.405 USER MOD Single : A 81 SER OG : rot -23:sc= 0.29 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0745 USER MOD Single : A 87 ASN : amide:sc= -4.83! C(o=-4.8!,f=-9.5!) USER MOD Single : A 88 GLN : amide:sc= -0.675 X(o=-0.68,f=-0.5) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -28:sc= 0.78 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.493 -11.282 -2.672 1.00 0.00 N ATOM 133 CA HIS A 13 13.130 -10.647 -1.417 1.00 0.00 C ATOM 134 C HIS A 13 12.238 -9.436 -1.693 1.00 0.00 C ATOM 135 O HIS A 13 12.137 -8.982 -2.832 1.00 0.00 O ATOM 136 CB HIS A 13 14.379 -10.291 -0.607 1.00 0.00 C ATOM 137 CG HIS A 13 15.248 -9.238 -1.251 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.368 -9.547 -2.004 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.150 -7.877 -1.247 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.912 -8.415 -2.428 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.156 -7.382 -1.958 1.00 0.00 N ATOM 0 HA HIS A 13 12.557 -11.344 -0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.073 -9.942 0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 13 14.971 -11.194 -0.456 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.384 -7.300 -0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.798 -8.326 -3.039 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.334 -6.392 -2.125 1.00 0.00 H new ATOM 149 N THR A 14 11.612 -8.947 -0.632 1.00 0.00 N ATOM 150 CA THR A 14 10.731 -7.798 -0.746 1.00 0.00 C ATOM 151 C THR A 14 11.227 -6.656 0.143 1.00 0.00 C ATOM 152 O THR A 14 11.846 -6.895 1.179 1.00 0.00 O ATOM 153 CB THR A 14 9.310 -8.256 -0.412 1.00 0.00 C ATOM 154 OG1 THR A 14 9.488 -9.191 0.649 1.00 0.00 O ATOM 155 CG2 THR A 14 8.681 -9.081 -1.536 1.00 0.00 C ATOM 0 H THR A 14 11.698 -9.326 0.311 1.00 0.00 H new ATOM 0 HA THR A 14 10.729 -7.400 -1.761 1.00 0.00 H new ATOM 0 HB THR A 14 8.686 -7.386 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.615 -9.538 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.673 -9.380 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.635 -8.482 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.286 -9.970 -1.717 1.00 0.00 H new ATOM 163 N GLU A 15 10.937 -5.439 -0.294 1.00 0.00 N ATOM 164 CA GLU A 15 11.345 -4.259 0.449 1.00 0.00 C ATOM 165 C GLU A 15 10.120 -3.447 0.871 1.00 0.00 C ATOM 166 O GLU A 15 8.986 -3.845 0.608 1.00 0.00 O ATOM 167 CB GLU A 15 12.315 -3.404 -0.369 1.00 0.00 C ATOM 168 CG GLU A 15 13.747 -3.551 0.148 1.00 0.00 C ATOM 169 CD GLU A 15 14.091 -2.431 1.133 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.519 -1.361 0.649 1.00 0.00 O ATOM 171 OE2 GLU A 15 13.919 -2.671 2.348 1.00 0.00 O ATOM 0 H GLU A 15 10.424 -5.245 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 15 11.868 -4.583 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.271 -3.700 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.013 -2.358 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.864 -4.518 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.444 -3.531 -0.690 1.00 0.00 H new ATOM 178 N THR A 16 10.389 -2.323 1.519 1.00 0.00 N ATOM 179 CA THR A 16 9.322 -1.451 1.980 1.00 0.00 C ATOM 180 C THR A 16 9.625 0.003 1.614 1.00 0.00 C ATOM 181 O THR A 16 10.766 0.448 1.720 1.00 0.00 O ATOM 182 CB THR A 16 9.145 -1.675 3.484 1.00 0.00 C ATOM 183 OG1 THR A 16 10.447 -2.037 3.936 1.00 0.00 O ATOM 184 CG2 THR A 16 8.287 -2.902 3.796 1.00 0.00 C ATOM 0 H THR A 16 11.331 -1.996 1.736 1.00 0.00 H new ATOM 0 HA THR A 16 8.378 -1.687 1.488 1.00 0.00 H new ATOM 0 HB THR A 16 8.690 -0.791 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.425 -2.199 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.193 -3.015 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.297 -2.775 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.758 -3.791 3.378 1.00 0.00 H new ATOM 192 N THR A 17 8.582 0.702 1.189 1.00 0.00 N ATOM 193 CA THR A 17 8.723 2.096 0.806 1.00 0.00 C ATOM 194 C THR A 17 7.745 2.968 1.597 1.00 0.00 C ATOM 195 O THR A 17 6.606 2.569 1.836 1.00 0.00 O ATOM 196 CB THR A 17 8.533 2.192 -0.709 1.00 0.00 C ATOM 197 OG1 THR A 17 8.845 3.549 -1.014 1.00 0.00 O ATOM 198 CG2 THR A 17 7.068 2.043 -1.127 1.00 0.00 C ATOM 0 H THR A 17 7.637 0.329 1.102 1.00 0.00 H new ATOM 0 HA THR A 17 9.716 2.474 1.048 1.00 0.00 H new ATOM 0 HB THR A 17 9.130 1.422 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.749 3.698 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.990 2.119 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.694 1.072 -0.803 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.476 2.832 -0.664 1.00 0.00 H new ATOM 206 N GLU A 18 8.226 4.141 1.981 1.00 0.00 N ATOM 207 CA GLU A 18 7.409 5.072 2.740 1.00 0.00 C ATOM 208 C GLU A 18 6.755 6.091 1.803 1.00 0.00 C ATOM 209 O GLU A 18 7.446 6.823 1.097 1.00 0.00 O ATOM 210 CB GLU A 18 8.235 5.773 3.820 1.00 0.00 C ATOM 211 CG GLU A 18 7.473 6.961 4.410 1.00 0.00 C ATOM 212 CD GLU A 18 8.160 8.282 4.059 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.616 8.395 2.901 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.213 9.150 4.958 1.00 0.00 O ATOM 0 H GLU A 18 9.171 4.468 1.781 1.00 0.00 H new ATOM 0 HA GLU A 18 6.621 4.509 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.481 5.065 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.178 6.116 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.451 6.967 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.411 6.856 5.493 1.00 0.00 H new ATOM 221 N VAL A 19 5.430 6.104 1.827 1.00 0.00 N ATOM 222 CA VAL A 19 4.676 7.020 0.989 1.00 0.00 C ATOM 223 C VAL A 19 4.243 8.228 1.822 1.00 0.00 C ATOM 224 O VAL A 19 3.485 8.085 2.781 1.00 0.00 O ATOM 225 CB VAL A 19 3.499 6.288 0.341 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.823 7.163 -0.716 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.947 4.953 -0.257 1.00 0.00 C ATOM 0 H VAL A 19 4.860 5.495 2.414 1.00 0.00 H new ATOM 0 HA VAL A 19 5.298 7.393 0.175 1.00 0.00 H new ATOM 0 HB VAL A 19 2.766 6.078 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.990 6.618 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.452 8.076 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.544 7.419 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.092 4.453 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.708 5.132 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.360 4.322 0.530 1.00 0.00 H new ATOM 237 N VAL A 20 4.742 9.389 1.427 1.00 0.00 N ATOM 238 CA VAL A 20 4.416 10.621 2.125 1.00 0.00 C ATOM 239 C VAL A 20 3.436 11.437 1.280 1.00 0.00 C ATOM 240 O VAL A 20 3.828 12.051 0.289 1.00 0.00 O ATOM 241 CB VAL A 20 5.698 11.387 2.461 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.381 12.816 2.907 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.514 10.649 3.524 1.00 0.00 C ATOM 0 H VAL A 20 5.370 9.503 0.632 1.00 0.00 H new ATOM 0 HA VAL A 20 3.925 10.404 3.074 1.00 0.00 H new ATOM 0 HB VAL A 20 6.302 11.445 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.309 13.339 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.860 13.340 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.748 12.788 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.420 11.214 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.920 10.546 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.785 9.660 3.154 1.00 0.00 H new ATOM 253 N LEU A 21 2.181 11.418 1.704 1.00 0.00 N ATOM 254 CA LEU A 21 1.142 12.148 0.998 1.00 0.00 C ATOM 255 C LEU A 21 0.726 13.364 1.828 1.00 0.00 C ATOM 256 O LEU A 21 0.581 13.269 3.046 1.00 0.00 O ATOM 257 CB LEU A 21 -0.021 11.219 0.645 1.00 0.00 C ATOM 258 CG LEU A 21 0.348 9.940 -0.110 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.764 8.896 0.004 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.700 10.246 -1.567 1.00 0.00 C ATOM 0 H LEU A 21 1.860 10.909 2.527 1.00 0.00 H new ATOM 0 HA LEU A 21 1.520 12.523 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.529 10.939 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.737 11.779 0.044 1.00 0.00 H new ATOM 0 HG LEU A 21 1.238 9.514 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.476 7.997 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.924 8.648 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.685 9.298 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.958 9.320 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.156 10.707 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.549 10.929 -1.601 1.00 0.00 H new ATOM 272 N THR A 22 0.547 14.480 1.136 1.00 0.00 N ATOM 273 CA THR A 22 0.151 15.713 1.795 1.00 0.00 C ATOM 274 C THR A 22 -1.347 15.961 1.607 1.00 0.00 C ATOM 275 O THR A 22 -1.792 16.294 0.510 1.00 0.00 O ATOM 276 CB THR A 22 1.027 16.843 1.248 1.00 0.00 C ATOM 277 OG1 THR A 22 2.334 16.278 1.203 1.00 0.00 O ATOM 278 CG2 THR A 22 1.159 18.009 2.230 1.00 0.00 C ATOM 0 H THR A 22 0.669 14.556 0.126 1.00 0.00 H new ATOM 0 HA THR A 22 0.306 15.653 2.872 1.00 0.00 H new ATOM 0 HB THR A 22 0.608 17.205 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.966 16.943 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.790 18.783 1.793 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.172 18.421 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.609 17.655 3.157 1.00 0.00 H new ATOM 286 N ALA A 23 -2.083 15.788 2.695 1.00 0.00 N ATOM 287 CA ALA A 23 -3.522 15.989 2.664 1.00 0.00 C ATOM 288 C ALA A 23 -3.844 17.209 1.800 1.00 0.00 C ATOM 289 O ALA A 23 -3.768 18.344 2.269 1.00 0.00 O ATOM 290 CB ALA A 23 -4.048 16.131 4.094 1.00 0.00 C ATOM 0 H ALA A 23 -1.710 15.511 3.603 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.020 15.129 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.127 16.282 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.820 15.226 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.572 16.986 4.573 1.00 0.00 H new ATOM 296 N ASP A 24 -4.198 16.935 0.553 1.00 0.00 N ATOM 297 CA ASP A 24 -4.532 17.997 -0.381 1.00 0.00 C ATOM 298 C ASP A 24 -5.595 18.903 0.243 1.00 0.00 C ATOM 299 O ASP A 24 -6.153 18.581 1.291 1.00 0.00 O ATOM 300 CB ASP A 24 -5.101 17.428 -1.682 1.00 0.00 C ATOM 301 CG ASP A 24 -4.325 17.803 -2.946 1.00 0.00 C ATOM 302 OD1 ASP A 24 -3.321 18.533 -2.799 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.753 17.352 -4.030 1.00 0.00 O ATOM 0 H ASP A 24 -4.261 15.993 0.168 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.620 18.553 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.133 16.341 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.130 17.770 -1.791 1.00 0.00 H new ATOM 308 N PRO A 25 -5.851 20.048 -0.445 1.00 0.00 N ATOM 309 CA PRO A 25 -6.837 21.003 0.031 1.00 0.00 C ATOM 310 C PRO A 25 -8.258 20.494 -0.220 1.00 0.00 C ATOM 311 O PRO A 25 -9.221 21.037 0.320 1.00 0.00 O ATOM 312 CB PRO A 25 -6.528 22.292 -0.713 1.00 0.00 C ATOM 313 CG PRO A 25 -5.684 21.889 -1.912 1.00 0.00 C ATOM 314 CD PRO A 25 -5.210 20.462 -1.689 1.00 0.00 C ATOM 0 HA PRO A 25 -6.786 21.159 1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.445 22.789 -1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.990 22.992 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.267 21.959 -2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.833 22.561 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.499 19.815 -2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.124 20.413 -1.610 1.00 0.00 H new ATOM 322 N VAL A 26 -8.345 19.457 -1.041 1.00 0.00 N ATOM 323 CA VAL A 26 -9.632 18.869 -1.370 1.00 0.00 C ATOM 324 C VAL A 26 -9.555 17.352 -1.194 1.00 0.00 C ATOM 325 O VAL A 26 -10.270 16.781 -0.371 1.00 0.00 O ATOM 326 CB VAL A 26 -10.053 19.287 -2.781 1.00 0.00 C ATOM 327 CG1 VAL A 26 -11.155 18.371 -3.318 1.00 0.00 C ATOM 328 CG2 VAL A 26 -10.494 20.751 -2.810 1.00 0.00 C ATOM 0 H VAL A 26 -7.545 19.009 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.404 19.236 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.186 19.186 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.436 18.690 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.790 17.344 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.025 18.426 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.788 21.022 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.341 20.889 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.668 21.386 -2.489 1.00 0.00 H new ATOM 338 N THR A 27 -8.681 16.741 -1.980 1.00 0.00 N ATOM 339 CA THR A 27 -8.501 15.300 -1.922 1.00 0.00 C ATOM 340 C THR A 27 -7.304 14.948 -1.035 1.00 0.00 C ATOM 341 O THR A 27 -6.274 14.493 -1.530 1.00 0.00 O ATOM 342 CB THR A 27 -8.369 14.781 -3.355 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.361 15.607 -3.932 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.613 15.067 -4.198 1.00 0.00 C ATOM 0 H THR A 27 -8.089 17.218 -2.661 1.00 0.00 H new ATOM 0 HA THR A 27 -9.361 14.812 -1.463 1.00 0.00 H new ATOM 0 HB THR A 27 -8.182 13.707 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.534 15.526 -3.412 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.467 14.678 -5.206 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.479 14.584 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.781 16.143 -4.245 1.00 0.00 H new ATOM 352 N GLY A 28 -7.481 15.172 0.258 1.00 0.00 N ATOM 353 CA GLY A 28 -6.429 14.884 1.218 1.00 0.00 C ATOM 354 C GLY A 28 -5.437 13.863 0.655 1.00 0.00 C ATOM 355 O GLY A 28 -4.351 14.228 0.209 1.00 0.00 O ATOM 0 H GLY A 28 -8.337 15.550 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.903 15.804 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.867 14.501 2.139 1.00 0.00 H new ATOM 359 N PHE A 29 -5.847 12.604 0.695 1.00 0.00 N ATOM 360 CA PHE A 29 -5.009 11.528 0.194 1.00 0.00 C ATOM 361 C PHE A 29 -5.659 10.840 -1.008 1.00 0.00 C ATOM 362 O PHE A 29 -4.966 10.305 -1.871 1.00 0.00 O ATOM 363 CB PHE A 29 -4.860 10.512 1.329 1.00 0.00 C ATOM 364 CG PHE A 29 -4.248 11.091 2.606 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.376 12.132 2.531 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.578 10.566 3.817 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.808 12.669 3.717 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.010 11.104 5.002 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.137 12.144 4.927 1.00 0.00 C ATOM 0 H PHE A 29 -6.749 12.305 1.067 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.046 11.925 -0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.841 10.098 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.240 9.685 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.115 12.550 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.272 9.740 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.114 13.495 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.271 10.687 5.963 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.705 12.553 5.829 1.00 0.00 H new ATOM 379 N GLY A 30 -6.983 10.876 -1.025 1.00 0.00 N ATOM 380 CA GLY A 30 -7.735 10.263 -2.106 1.00 0.00 C ATOM 381 C GLY A 30 -7.372 8.784 -2.257 1.00 0.00 C ATOM 382 O GLY A 30 -6.911 8.359 -3.315 1.00 0.00 O ATOM 0 H GLY A 30 -7.555 11.321 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.803 10.361 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.531 10.788 -3.039 1.00 0.00 H new ATOM 386 N ILE A 31 -7.594 8.041 -1.182 1.00 0.00 N ATOM 387 CA ILE A 31 -7.297 6.619 -1.181 1.00 0.00 C ATOM 388 C ILE A 31 -8.477 5.856 -0.577 1.00 0.00 C ATOM 389 O ILE A 31 -9.125 6.339 0.350 1.00 0.00 O ATOM 390 CB ILE A 31 -5.966 6.351 -0.476 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.908 7.374 -0.893 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.499 4.914 -0.714 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.711 7.345 0.059 1.00 0.00 C ATOM 0 H ILE A 31 -7.976 8.398 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.171 6.255 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.119 6.466 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.574 7.163 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.346 8.372 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.551 4.750 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.245 4.220 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.368 4.746 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.974 8.082 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.044 7.580 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.261 6.353 0.047 1.00 0.00 H new ATOM 405 N GLN A 32 -8.722 4.676 -1.128 1.00 0.00 N ATOM 406 CA GLN A 32 -9.813 3.841 -0.656 1.00 0.00 C ATOM 407 C GLN A 32 -9.298 2.446 -0.298 1.00 0.00 C ATOM 408 O GLN A 32 -8.579 1.826 -1.080 1.00 0.00 O ATOM 409 CB GLN A 32 -10.933 3.762 -1.696 1.00 0.00 C ATOM 410 CG GLN A 32 -12.001 4.826 -1.434 1.00 0.00 C ATOM 411 CD GLN A 32 -13.181 4.238 -0.658 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.081 3.208 -0.011 1.00 0.00 O ATOM 413 NE2 GLN A 32 -14.301 4.948 -0.757 1.00 0.00 N ATOM 0 H GLN A 32 -8.183 4.278 -1.897 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.229 4.295 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.517 3.897 -2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.388 2.772 -1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.566 5.652 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.352 5.235 -2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.316 5.801 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.145 4.639 -0.274 1.00 0.00 H new ATOM 422 N LEU A 33 -9.684 1.993 0.886 1.00 0.00 N ATOM 423 CA LEU A 33 -9.270 0.682 1.357 1.00 0.00 C ATOM 424 C LEU A 33 -10.331 -0.352 0.974 1.00 0.00 C ATOM 425 O LEU A 33 -11.497 -0.009 0.785 1.00 0.00 O ATOM 426 CB LEU A 33 -8.965 0.724 2.856 1.00 0.00 C ATOM 427 CG LEU A 33 -7.817 1.642 3.281 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.524 1.277 2.551 1.00 0.00 C ATOM 429 CD2 LEU A 33 -8.191 3.113 3.086 1.00 0.00 C ATOM 0 H LEU A 33 -10.279 2.510 1.533 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.341 0.379 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.867 1.036 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.737 -0.289 3.189 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.637 1.494 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.724 1.945 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.253 0.247 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.672 1.378 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.358 3.744 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.414 3.296 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.068 3.348 3.689 1.00 0.00 H new ATOM 441 N GLN A 34 -9.889 -1.596 0.872 1.00 0.00 N ATOM 442 CA GLN A 34 -10.786 -2.682 0.515 1.00 0.00 C ATOM 443 C GLN A 34 -10.973 -3.628 1.702 1.00 0.00 C ATOM 444 O GLN A 34 -10.051 -3.830 2.491 1.00 0.00 O ATOM 445 CB GLN A 34 -10.272 -3.437 -0.712 1.00 0.00 C ATOM 446 CG GLN A 34 -8.990 -4.206 -0.386 1.00 0.00 C ATOM 447 CD GLN A 34 -8.989 -5.581 -1.057 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.230 -6.603 -0.435 1.00 0.00 O ATOM 449 NE2 GLN A 34 -8.707 -5.549 -2.356 1.00 0.00 N ATOM 0 H GLN A 34 -8.921 -1.877 1.030 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.756 -2.256 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.036 -4.130 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.082 -2.734 -1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.124 -3.634 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.897 -4.324 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.515 -4.658 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.683 -6.415 -2.894 1.00 0.00 H new ATOM 620 N PRO A 47 -5.121 -4.230 4.365 1.00 0.00 N ATOM 621 CA PRO A 47 -5.943 -3.278 3.637 1.00 0.00 C ATOM 622 C PRO A 47 -5.263 -2.848 2.336 1.00 0.00 C ATOM 623 O PRO A 47 -4.398 -1.974 2.342 1.00 0.00 O ATOM 624 CB PRO A 47 -6.157 -2.124 4.604 1.00 0.00 C ATOM 625 CG PRO A 47 -5.072 -2.257 5.659 1.00 0.00 C ATOM 626 CD PRO A 47 -4.459 -3.642 5.526 1.00 0.00 C ATOM 0 HA PRO A 47 -6.897 -3.700 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.086 -1.166 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.148 -2.171 5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.311 -1.488 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.490 -2.119 6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.380 -3.585 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.629 -4.238 6.423 1.00 0.00 H new ATOM 634 N LEU A 48 -5.680 -3.483 1.250 1.00 0.00 N ATOM 635 CA LEU A 48 -5.122 -3.178 -0.056 1.00 0.00 C ATOM 636 C LEU A 48 -5.802 -1.928 -0.617 1.00 0.00 C ATOM 637 O LEU A 48 -6.990 -1.707 -0.387 1.00 0.00 O ATOM 638 CB LEU A 48 -5.218 -4.396 -0.978 1.00 0.00 C ATOM 639 CG LEU A 48 -5.040 -5.760 -0.307 1.00 0.00 C ATOM 640 CD1 LEU A 48 -6.257 -6.654 -0.552 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.739 -6.427 -0.758 1.00 0.00 C ATOM 0 H LEU A 48 -6.398 -4.208 1.248 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.059 -2.953 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.191 -4.379 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.464 -4.296 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.966 -5.604 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.105 -7.617 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.147 -6.177 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.387 -6.806 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.637 -7.395 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.759 -6.569 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.893 -5.793 -0.491 1.00 0.00 H new ATOM 653 N ILE A 49 -5.020 -1.142 -1.343 1.00 0.00 N ATOM 654 CA ILE A 49 -5.532 0.080 -1.938 1.00 0.00 C ATOM 655 C ILE A 49 -6.670 -0.264 -2.901 1.00 0.00 C ATOM 656 O ILE A 49 -6.428 -0.591 -4.062 1.00 0.00 O ATOM 657 CB ILE A 49 -4.398 0.876 -2.586 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.649 1.711 -1.546 1.00 0.00 C ATOM 659 CG2 ILE A 49 -4.920 1.734 -3.741 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.451 2.426 -2.174 1.00 0.00 C ATOM 0 H ILE A 49 -4.035 -1.328 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.950 0.731 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.683 0.169 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.326 2.445 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.308 1.067 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.093 2.290 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.371 1.091 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.667 2.433 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.937 3.012 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.764 1.689 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.797 3.087 -2.968 1.00 0.00 H new ATOM 672 N SER A 50 -7.887 -0.180 -2.383 1.00 0.00 N ATOM 673 CA SER A 50 -9.063 -0.479 -3.182 1.00 0.00 C ATOM 674 C SER A 50 -9.066 0.379 -4.449 1.00 0.00 C ATOM 675 O SER A 50 -9.178 -0.143 -5.557 1.00 0.00 O ATOM 676 CB SER A 50 -10.346 -0.249 -2.381 1.00 0.00 C ATOM 677 OG SER A 50 -11.488 -0.799 -3.033 1.00 0.00 O ATOM 0 H SER A 50 -8.084 0.091 -1.420 1.00 0.00 H new ATOM 0 HA SER A 50 -9.027 -1.531 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.242 -0.697 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.494 0.821 -2.232 1.00 0.00 H new ATOM 0 HG SER A 50 -12.286 -0.633 -2.490 1.00 0.00 H new ATOM 683 N TYR A 51 -8.944 1.682 -4.243 1.00 0.00 N ATOM 684 CA TYR A 51 -8.932 2.618 -5.354 1.00 0.00 C ATOM 685 C TYR A 51 -8.055 3.832 -5.039 1.00 0.00 C ATOM 686 O TYR A 51 -7.825 4.150 -3.874 1.00 0.00 O ATOM 687 CB TYR A 51 -10.379 3.081 -5.532 1.00 0.00 C ATOM 688 CG TYR A 51 -10.579 4.073 -6.680 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.532 3.633 -7.987 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.806 5.406 -6.407 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.720 4.567 -9.067 1.00 0.00 C ATOM 692 CE2 TYR A 51 -10.994 6.340 -7.488 1.00 0.00 C ATOM 693 CZ TYR A 51 -10.942 5.874 -8.764 1.00 0.00 C ATOM 694 OH TYR A 51 -11.120 6.755 -9.785 1.00 0.00 O ATOM 0 H TYR A 51 -8.853 2.112 -3.323 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.532 2.144 -6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.010 2.209 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.719 3.541 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.354 2.589 -8.200 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.843 5.749 -5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.685 4.237 -10.095 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.172 7.386 -7.289 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.270 7.652 -9.420 1.00 0.00 H new ATOM 704 N ILE A 52 -7.591 4.478 -6.099 1.00 0.00 N ATOM 705 CA ILE A 52 -6.745 5.650 -5.951 1.00 0.00 C ATOM 706 C ILE A 52 -7.440 6.858 -6.582 1.00 0.00 C ATOM 707 O ILE A 52 -7.480 6.987 -7.804 1.00 0.00 O ATOM 708 CB ILE A 52 -5.350 5.379 -6.516 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.710 4.165 -5.838 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.466 6.623 -6.415 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.809 3.404 -6.813 1.00 0.00 C ATOM 0 H ILE A 52 -7.785 4.212 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.597 5.882 -4.896 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.451 5.141 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.127 4.491 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.489 3.501 -5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.480 6.403 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.919 7.438 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.368 6.916 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.367 2.546 -6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.400 3.059 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.017 4.064 -7.167 1.00 0.00 H new ATOM 723 N GLU A 53 -7.971 7.713 -5.719 1.00 0.00 N ATOM 724 CA GLU A 53 -8.662 8.906 -6.177 1.00 0.00 C ATOM 725 C GLU A 53 -7.803 9.659 -7.194 1.00 0.00 C ATOM 726 O GLU A 53 -6.576 9.571 -7.163 1.00 0.00 O ATOM 727 CB GLU A 53 -9.036 9.809 -5.000 1.00 0.00 C ATOM 728 CG GLU A 53 -10.493 10.263 -5.099 1.00 0.00 C ATOM 729 CD GLU A 53 -10.646 11.716 -4.643 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.189 12.009 -3.518 1.00 0.00 O ATOM 731 OE2 GLU A 53 -11.217 12.501 -5.431 1.00 0.00 O ATOM 0 H GLU A 53 -7.936 7.603 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.587 8.601 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.881 9.274 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.380 10.680 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.840 10.162 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.121 9.617 -4.486 1.00 0.00 H new ATOM 738 N ALA A 54 -8.481 10.384 -8.073 1.00 0.00 N ATOM 739 CA ALA A 54 -7.795 11.152 -9.098 1.00 0.00 C ATOM 740 C ALA A 54 -7.556 12.575 -8.588 1.00 0.00 C ATOM 741 O ALA A 54 -8.206 13.016 -7.641 1.00 0.00 O ATOM 742 CB ALA A 54 -8.614 11.125 -10.390 1.00 0.00 C ATOM 0 H ALA A 54 -9.498 10.455 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.822 10.714 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.099 11.701 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.730 10.094 -10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.597 11.560 -10.207 1.00 0.00 H new ATOM 748 N ASP A 55 -6.623 13.254 -9.239 1.00 0.00 N ATOM 749 CA ASP A 55 -6.290 14.617 -8.863 1.00 0.00 C ATOM 750 C ASP A 55 -5.854 14.646 -7.397 1.00 0.00 C ATOM 751 O ASP A 55 -5.835 15.705 -6.772 1.00 0.00 O ATOM 752 CB ASP A 55 -7.501 15.541 -9.014 1.00 0.00 C ATOM 753 CG ASP A 55 -7.297 16.725 -9.962 1.00 0.00 C ATOM 754 OD1 ASP A 55 -6.718 16.492 -11.045 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.726 17.836 -9.582 1.00 0.00 O ATOM 0 H ASP A 55 -6.087 12.885 -10.025 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.489 14.961 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.346 14.952 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.771 15.925 -8.030 1.00 0.00 H new ATOM 760 N SER A 56 -5.512 13.470 -6.892 1.00 0.00 N ATOM 761 CA SER A 56 -5.077 13.347 -5.511 1.00 0.00 C ATOM 762 C SER A 56 -3.559 13.164 -5.455 1.00 0.00 C ATOM 763 O SER A 56 -2.917 12.953 -6.483 1.00 0.00 O ATOM 764 CB SER A 56 -5.778 12.179 -4.814 1.00 0.00 C ATOM 765 OG SER A 56 -4.872 11.125 -4.498 1.00 0.00 O ATOM 0 H SER A 56 -5.527 12.594 -7.414 1.00 0.00 H new ATOM 0 HA SER A 56 -5.346 14.263 -4.985 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.253 12.535 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.570 11.796 -5.457 1.00 0.00 H new ATOM 0 HG SER A 56 -4.973 10.879 -3.555 1.00 0.00 H new ATOM 771 N PRO A 57 -3.014 13.255 -4.213 1.00 0.00 N ATOM 772 CA PRO A 57 -1.583 13.102 -4.009 1.00 0.00 C ATOM 773 C PRO A 57 -1.167 11.634 -4.123 1.00 0.00 C ATOM 774 O PRO A 57 0.007 11.332 -4.328 1.00 0.00 O ATOM 775 CB PRO A 57 -1.316 13.690 -2.634 1.00 0.00 C ATOM 776 CG PRO A 57 -2.661 13.726 -1.927 1.00 0.00 C ATOM 777 CD PRO A 57 -3.743 13.504 -2.972 1.00 0.00 C ATOM 0 HA PRO A 57 -0.993 13.616 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.601 13.081 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.890 14.690 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.709 12.955 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.804 14.684 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.379 12.659 -2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.392 14.375 -3.062 1.00 0.00 H new ATOM 785 N ALA A 58 -2.154 10.760 -3.985 1.00 0.00 N ATOM 786 CA ALA A 58 -1.905 9.331 -4.069 1.00 0.00 C ATOM 787 C ALA A 58 -1.611 8.954 -5.523 1.00 0.00 C ATOM 788 O ALA A 58 -0.982 7.930 -5.787 1.00 0.00 O ATOM 789 CB ALA A 58 -3.104 8.569 -3.500 1.00 0.00 C ATOM 0 H ALA A 58 -3.127 11.014 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.033 9.058 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.917 7.497 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.253 8.851 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.997 8.816 -4.074 1.00 0.00 H new ATOM 795 N GLU A 59 -2.080 9.801 -6.427 1.00 0.00 N ATOM 796 CA GLU A 59 -1.875 9.570 -7.847 1.00 0.00 C ATOM 797 C GLU A 59 -0.604 10.276 -8.322 1.00 0.00 C ATOM 798 O GLU A 59 0.062 9.808 -9.244 1.00 0.00 O ATOM 799 CB GLU A 59 -3.091 10.024 -8.657 1.00 0.00 C ATOM 800 CG GLU A 59 -2.740 10.164 -10.140 1.00 0.00 C ATOM 801 CD GLU A 59 -2.339 11.602 -10.476 1.00 0.00 C ATOM 802 OE1 GLU A 59 -1.866 12.291 -9.546 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.514 11.979 -11.654 1.00 0.00 O ATOM 0 H GLU A 59 -2.602 10.649 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.753 8.499 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.901 9.305 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.453 10.978 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.923 9.487 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.595 9.869 -10.749 1.00 0.00 H new ATOM 810 N ARG A 60 -0.305 11.390 -7.670 1.00 0.00 N ATOM 811 CA ARG A 60 0.874 12.165 -8.015 1.00 0.00 C ATOM 812 C ARG A 60 2.114 11.269 -8.025 1.00 0.00 C ATOM 813 O ARG A 60 2.725 11.060 -9.072 1.00 0.00 O ATOM 814 CB ARG A 60 1.089 13.311 -7.023 1.00 0.00 C ATOM 815 CG ARG A 60 0.485 14.613 -7.551 1.00 0.00 C ATOM 816 CD ARG A 60 1.167 15.829 -6.921 1.00 0.00 C ATOM 817 NE ARG A 60 0.241 16.500 -5.982 1.00 0.00 N ATOM 818 CZ ARG A 60 0.628 17.363 -5.033 1.00 0.00 C ATOM 819 NH1 ARG A 60 1.925 17.666 -4.891 1.00 0.00 N ATOM 820 NH2 ARG A 60 -0.283 17.924 -4.226 1.00 0.00 N ATOM 0 H ARG A 60 -0.859 11.774 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 60 0.717 12.584 -9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.635 13.058 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.156 13.447 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.590 14.654 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.583 14.637 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.069 15.518 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.477 16.526 -7.699 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.754 16.293 -6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.619 17.240 -5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.219 18.323 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.271 17.694 -4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.011 18.581 -3.503 1.00 0.00 H new ATOM 834 N CYS A 61 2.449 10.764 -6.846 1.00 0.00 N ATOM 835 CA CYS A 61 3.605 9.895 -6.706 1.00 0.00 C ATOM 836 C CYS A 61 3.409 8.684 -7.621 1.00 0.00 C ATOM 837 O CYS A 61 4.380 8.059 -8.046 1.00 0.00 O ATOM 838 CB CYS A 61 3.829 9.481 -5.251 1.00 0.00 C ATOM 839 SG CYS A 61 2.286 8.786 -4.553 1.00 0.00 S ATOM 0 H CYS A 61 1.940 10.940 -5.980 1.00 0.00 H new ATOM 0 HA CYS A 61 4.505 10.432 -7.004 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.629 8.743 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.148 10.342 -4.664 1.00 0.00 H new ATOM 0 HG CYS A 61 1.394 9.726 -4.450 1.00 0.00 H new ATOM 845 N GLY A 62 2.148 8.388 -7.896 1.00 0.00 N ATOM 846 CA GLY A 62 1.812 7.263 -8.752 1.00 0.00 C ATOM 847 C GLY A 62 2.740 6.076 -8.486 1.00 0.00 C ATOM 848 O GLY A 62 3.343 5.536 -9.413 1.00 0.00 O ATOM 0 H GLY A 62 1.346 8.908 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.777 6.966 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.888 7.561 -9.798 1.00 0.00 H new ATOM 852 N VAL A 63 2.827 5.706 -7.217 1.00 0.00 N ATOM 853 CA VAL A 63 3.672 4.593 -6.818 1.00 0.00 C ATOM 854 C VAL A 63 2.809 3.513 -6.163 1.00 0.00 C ATOM 855 O VAL A 63 3.297 2.426 -5.855 1.00 0.00 O ATOM 856 CB VAL A 63 4.798 5.090 -5.911 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.627 6.171 -6.608 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.245 5.599 -4.578 1.00 0.00 C ATOM 0 H VAL A 63 2.326 6.157 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 63 4.149 4.144 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 63 5.455 4.246 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.421 6.507 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.066 5.762 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.985 7.015 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.067 5.946 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.555 6.423 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.719 4.791 -4.070 1.00 0.00 H new ATOM 868 N LEU A 64 1.542 3.848 -5.970 1.00 0.00 N ATOM 869 CA LEU A 64 0.607 2.920 -5.357 1.00 0.00 C ATOM 870 C LEU A 64 -0.186 2.205 -6.452 1.00 0.00 C ATOM 871 O LEU A 64 -0.609 2.827 -7.425 1.00 0.00 O ATOM 872 CB LEU A 64 -0.272 3.643 -4.334 1.00 0.00 C ATOM 873 CG LEU A 64 0.358 4.857 -3.648 1.00 0.00 C ATOM 874 CD1 LEU A 64 1.770 4.537 -3.154 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.335 6.079 -4.568 1.00 0.00 C ATOM 0 H LEU A 64 1.141 4.750 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 64 1.143 2.153 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.186 3.966 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.565 2.927 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.241 5.103 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.194 5.417 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.728 3.715 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.395 4.251 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.788 6.928 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.896 5.861 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.696 6.320 -4.827 1.00 0.00 H new ATOM 887 N GLN A 65 -0.365 0.906 -6.257 1.00 0.00 N ATOM 888 CA GLN A 65 -1.100 0.099 -7.215 1.00 0.00 C ATOM 889 C GLN A 65 -2.427 -0.364 -6.612 1.00 0.00 C ATOM 890 O GLN A 65 -2.493 -0.700 -5.431 1.00 0.00 O ATOM 891 CB GLN A 65 -0.264 -1.094 -7.682 1.00 0.00 C ATOM 892 CG GLN A 65 1.031 -0.628 -8.352 1.00 0.00 C ATOM 893 CD GLN A 65 1.454 -1.595 -9.460 1.00 0.00 C ATOM 894 OE1 GLN A 65 1.912 -2.699 -9.215 1.00 0.00 O ATOM 895 NE2 GLN A 65 1.274 -1.120 -10.690 1.00 0.00 N ATOM 0 H GLN A 65 -0.013 0.393 -5.449 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.316 0.714 -8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.028 -1.733 -6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.843 -1.697 -8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.890 0.369 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.823 -0.553 -7.607 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.886 -0.186 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.524 -1.689 -11.498 1.00 0.00 H new ATOM 904 N ILE A 66 -3.453 -0.367 -7.451 1.00 0.00 N ATOM 905 CA ILE A 66 -4.775 -0.784 -7.015 1.00 0.00 C ATOM 906 C ILE A 66 -4.684 -2.174 -6.383 1.00 0.00 C ATOM 907 O ILE A 66 -4.516 -3.169 -7.085 1.00 0.00 O ATOM 908 CB ILE A 66 -5.772 -0.699 -8.173 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.917 0.742 -8.666 1.00 0.00 C ATOM 910 CG2 ILE A 66 -7.119 -1.310 -7.782 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.823 1.552 -7.736 1.00 0.00 C ATOM 0 H ILE A 66 -3.395 -0.087 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.154 -0.109 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.382 -1.286 -9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.935 1.211 -8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.330 0.745 -9.675 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.809 -1.237 -8.622 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.980 -2.358 -7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.529 -0.771 -6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.909 2.572 -8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.811 1.094 -7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.395 1.567 -6.734 1.00 0.00 H new ATOM 923 N GLY A 67 -4.800 -2.197 -5.063 1.00 0.00 N ATOM 924 CA GLY A 67 -4.733 -3.448 -4.328 1.00 0.00 C ATOM 925 C GLY A 67 -3.317 -3.703 -3.807 1.00 0.00 C ATOM 926 O GLY A 67 -2.857 -4.844 -3.783 1.00 0.00 O ATOM 0 H GLY A 67 -4.940 -1.369 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.432 -3.421 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.040 -4.270 -4.974 1.00 0.00 H new ATOM 930 N ASP A 68 -2.667 -2.623 -3.402 1.00 0.00 N ATOM 931 CA ASP A 68 -1.313 -2.715 -2.883 1.00 0.00 C ATOM 932 C ASP A 68 -1.294 -3.666 -1.684 1.00 0.00 C ATOM 933 O ASP A 68 -2.204 -4.476 -1.516 1.00 0.00 O ATOM 934 CB ASP A 68 -0.809 -1.349 -2.411 1.00 0.00 C ATOM 935 CG ASP A 68 0.596 -0.978 -2.887 1.00 0.00 C ATOM 936 OD1 ASP A 68 1.395 -1.919 -3.087 1.00 0.00 O ATOM 937 OD2 ASP A 68 0.841 0.238 -3.041 1.00 0.00 O ATOM 0 H ASP A 68 -3.053 -1.679 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.670 -3.080 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.506 -0.584 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.824 -1.330 -1.321 1.00 0.00 H new ATOM 942 N ARG A 69 -0.248 -3.535 -0.882 1.00 0.00 N ATOM 943 CA ARG A 69 -0.099 -4.373 0.296 1.00 0.00 C ATOM 944 C ARG A 69 0.385 -3.538 1.483 1.00 0.00 C ATOM 945 O ARG A 69 1.402 -3.857 2.098 1.00 0.00 O ATOM 946 CB ARG A 69 0.893 -5.509 0.042 1.00 0.00 C ATOM 947 CG ARG A 69 1.918 -5.114 -1.023 1.00 0.00 C ATOM 948 CD ARG A 69 1.307 -5.185 -2.424 1.00 0.00 C ATOM 949 NE ARG A 69 2.307 -5.700 -3.387 1.00 0.00 N ATOM 950 CZ ARG A 69 3.191 -4.930 -4.036 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.204 -3.606 -3.829 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.061 -5.483 -4.891 1.00 0.00 N ATOM 0 H ARG A 69 0.505 -2.861 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.075 -4.803 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.406 -5.763 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.355 -6.401 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.278 -4.103 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.782 -5.776 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.431 -5.833 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.968 -4.196 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 69 2.324 -6.704 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.541 -3.185 -3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.877 -3.019 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.051 -6.491 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.734 -4.896 -5.385 1.00 0.00 H new ATOM 966 N VAL A 70 -0.366 -2.485 1.771 1.00 0.00 N ATOM 967 CA VAL A 70 -0.026 -1.602 2.873 1.00 0.00 C ATOM 968 C VAL A 70 0.450 -2.438 4.063 1.00 0.00 C ATOM 969 O VAL A 70 -0.341 -3.146 4.685 1.00 0.00 O ATOM 970 CB VAL A 70 -1.219 -0.705 3.212 1.00 0.00 C ATOM 971 CG1 VAL A 70 -1.308 -0.458 4.719 1.00 0.00 C ATOM 972 CG2 VAL A 70 -1.148 0.616 2.443 1.00 0.00 C ATOM 0 H VAL A 70 -1.209 -2.224 1.260 1.00 0.00 H new ATOM 0 HA VAL A 70 0.793 -0.940 2.593 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.127 -1.224 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.164 0.182 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.428 -1.409 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.396 0.030 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.007 1.235 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.230 1.141 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.156 0.414 1.372 1.00 0.00 H new ATOM 982 N MET A 71 1.740 -2.329 4.343 1.00 0.00 N ATOM 983 CA MET A 71 2.331 -3.066 5.447 1.00 0.00 C ATOM 984 C MET A 71 2.048 -2.374 6.782 1.00 0.00 C ATOM 985 O MET A 71 2.094 -3.008 7.835 1.00 0.00 O ATOM 986 CB MET A 71 3.843 -3.174 5.238 1.00 0.00 C ATOM 987 CG MET A 71 4.168 -3.645 3.818 1.00 0.00 C ATOM 988 SD MET A 71 3.700 -5.356 3.620 1.00 0.00 S ATOM 989 CE MET A 71 4.961 -6.138 4.612 1.00 0.00 C ATOM 0 H MET A 71 2.393 -1.741 3.824 1.00 0.00 H new ATOM 0 HA MET A 71 1.887 -4.061 5.474 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.309 -2.205 5.419 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.265 -3.871 5.962 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.639 -3.028 3.091 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.233 -3.526 3.621 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.073 -7.178 4.304 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.908 -5.615 4.476 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.673 -6.100 5.663 1.00 0.00 H new ATOM 999 N ALA A 72 1.763 -1.084 6.694 1.00 0.00 N ATOM 1000 CA ALA A 72 1.473 -0.299 7.882 1.00 0.00 C ATOM 1001 C ALA A 72 1.062 1.115 7.467 1.00 0.00 C ATOM 1002 O ALA A 72 1.333 1.540 6.345 1.00 0.00 O ATOM 1003 CB ALA A 72 2.691 -0.304 8.808 1.00 0.00 C ATOM 0 H ALA A 72 1.727 -0.562 5.818 1.00 0.00 H new ATOM 0 HA ALA A 72 0.641 -0.735 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.473 0.285 9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.923 -1.329 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.546 0.128 8.287 1.00 0.00 H new ATOM 1009 N ILE A 73 0.413 1.805 8.394 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.038 3.162 8.138 1.00 0.00 C ATOM 1011 C ILE A 73 0.483 4.085 9.241 1.00 0.00 C ATOM 1012 O ILE A 73 -0.031 4.074 10.359 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.558 3.199 7.972 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.977 2.616 6.621 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.098 4.616 8.178 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.478 2.802 6.385 1.00 0.00 C ATOM 0 H ILE A 73 0.189 1.449 9.323 1.00 0.00 H new ATOM 0 HA ILE A 73 0.371 3.528 7.196 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.001 2.570 8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.417 3.101 5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.728 1.555 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.181 4.614 8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.848 4.958 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.650 5.286 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.749 2.379 5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.036 2.295 7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.719 3.865 6.397 1.00 0.00 H new ATOM 1028 N ASN A 74 1.497 4.862 8.889 1.00 0.00 N ATOM 1029 CA ASN A 74 2.094 5.789 9.836 1.00 0.00 C ATOM 1030 C ASN A 74 2.785 5.000 10.950 1.00 0.00 C ATOM 1031 O ASN A 74 3.096 5.551 12.004 1.00 0.00 O ATOM 1032 CB ASN A 74 1.029 6.680 10.479 1.00 0.00 C ATOM 1033 CG ASN A 74 1.236 8.146 10.092 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.140 8.744 9.633 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 2.318 8.698 10.205 1.00 0.00 N flip ATOM 0 H ASN A 74 1.920 4.869 7.961 1.00 0.00 H new ATOM 0 HA ASN A 74 2.807 6.411 9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.038 6.353 10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.069 6.577 11.563 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.120 8.180 10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.421 9.678 9.940 1.00 0.00 H new ATOM 1042 N GLY A 75 3.004 3.722 10.677 1.00 0.00 N ATOM 1043 CA GLY A 75 3.653 2.851 11.643 1.00 0.00 C ATOM 1044 C GLY A 75 2.678 1.798 12.173 1.00 0.00 C ATOM 1045 O GLY A 75 3.097 0.756 12.674 1.00 0.00 O ATOM 0 H GLY A 75 2.744 3.269 9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.508 2.359 11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.039 3.445 12.472 1.00 0.00 H new ATOM 1049 N ILE A 76 1.396 2.107 12.045 1.00 0.00 N ATOM 1050 CA ILE A 76 0.358 1.200 12.505 1.00 0.00 C ATOM 1051 C ILE A 76 0.444 -0.109 11.716 1.00 0.00 C ATOM 1052 O ILE A 76 0.504 -0.095 10.488 1.00 0.00 O ATOM 1053 CB ILE A 76 -1.014 1.873 12.430 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.171 2.920 13.535 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.137 0.835 12.460 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.347 2.253 14.901 1.00 0.00 C ATOM 0 H ILE A 76 1.052 2.973 11.629 1.00 0.00 H new ATOM 0 HA ILE A 76 0.509 0.951 13.555 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.086 2.397 11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.295 3.569 13.553 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.032 3.553 13.322 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.101 1.340 12.405 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.032 0.161 11.610 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.079 0.263 13.386 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.456 3.019 15.669 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.237 1.624 14.887 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.473 1.640 15.122 1.00 0.00 H new ATOM 1068 N PRO A 77 0.447 -1.238 12.475 1.00 0.00 N ATOM 1069 CA PRO A 77 0.524 -2.552 11.860 1.00 0.00 C ATOM 1070 C PRO A 77 -0.813 -2.940 11.226 1.00 0.00 C ATOM 1071 O PRO A 77 -1.689 -3.481 11.898 1.00 0.00 O ATOM 1072 CB PRO A 77 0.943 -3.487 12.983 1.00 0.00 C ATOM 1073 CG PRO A 77 0.633 -2.750 14.276 1.00 0.00 C ATOM 1074 CD PRO A 77 0.377 -1.292 13.932 1.00 0.00 C ATOM 0 HA PRO A 77 1.240 -2.591 11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.398 -4.430 12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 77 2.004 -3.728 12.915 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.239 -3.186 14.764 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.466 -2.837 14.974 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.598 -0.965 14.294 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.122 -0.640 14.389 1.00 0.00 H new ATOM 1082 N THR A 78 -0.927 -2.649 9.938 1.00 0.00 N ATOM 1083 CA THR A 78 -2.142 -2.961 9.206 1.00 0.00 C ATOM 1084 C THR A 78 -2.380 -4.472 9.185 1.00 0.00 C ATOM 1085 O THR A 78 -2.107 -5.133 8.184 1.00 0.00 O ATOM 1086 CB THR A 78 -2.024 -2.345 7.810 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.651 -2.518 7.469 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.217 -0.828 7.821 1.00 0.00 C ATOM 0 H THR A 78 -0.198 -2.201 9.383 1.00 0.00 H new ATOM 0 HA THR A 78 -3.018 -2.533 9.693 1.00 0.00 H new ATOM 0 HB THR A 78 -2.762 -2.800 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.582 -2.856 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.123 -0.442 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.207 -0.590 8.210 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.458 -0.369 8.455 1.00 0.00 H new ATOM 1096 N GLU A 79 -2.884 -4.975 10.302 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.162 -6.396 10.425 1.00 0.00 C ATOM 1098 C GLU A 79 -3.790 -6.698 11.787 1.00 0.00 C ATOM 1099 O GLU A 79 -3.490 -7.721 12.400 1.00 0.00 O ATOM 1100 CB GLU A 79 -1.892 -7.222 10.211 1.00 0.00 C ATOM 1101 CG GLU A 79 -2.234 -8.659 9.812 1.00 0.00 C ATOM 1102 CD GLU A 79 -0.981 -9.419 9.373 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -0.562 -9.203 8.215 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -0.470 -10.199 10.205 1.00 0.00 O ATOM 0 H GLU A 79 -3.107 -4.424 11.131 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.874 -6.676 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.280 -6.761 9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.298 -7.226 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.699 -9.173 10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.962 -8.652 9.001 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.651 -5.789 12.220 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.325 -5.946 13.498 1.00 0.00 C ATOM 1113 C ASP A 80 -6.231 -4.738 13.744 1.00 0.00 C ATOM 1114 O ASP A 80 -6.071 -4.028 14.735 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.316 -6.021 14.647 1.00 0.00 C ATOM 1116 CG ASP A 80 -4.886 -6.521 15.976 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -6.071 -6.220 16.234 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -4.123 -7.194 16.703 1.00 0.00 O ATOM 0 H ASP A 80 -4.897 -4.941 11.709 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.903 -6.870 13.463 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.498 -6.677 14.350 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.890 -5.030 14.802 1.00 0.00 H new ATOM 1123 N SER A 81 -7.164 -4.542 12.823 1.00 0.00 N ATOM 1124 CA SER A 81 -8.097 -3.433 12.927 1.00 0.00 C ATOM 1125 C SER A 81 -9.282 -3.655 11.985 1.00 0.00 C ATOM 1126 O SER A 81 -9.471 -4.756 11.469 1.00 0.00 O ATOM 1127 CB SER A 81 -7.409 -2.104 12.610 1.00 0.00 C ATOM 1128 OG SER A 81 -6.205 -1.935 13.353 1.00 0.00 O ATOM 0 H SER A 81 -7.293 -5.133 12.002 1.00 0.00 H new ATOM 0 HA SER A 81 -8.461 -3.388 13.953 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.187 -2.056 11.544 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.090 -1.282 12.831 1.00 0.00 H new ATOM 0 HG SER A 81 -6.240 -2.486 14.163 1.00 0.00 H new ATOM 1134 N THR A 82 -10.049 -2.593 11.791 1.00 0.00 N ATOM 1135 CA THR A 82 -11.211 -2.659 10.920 1.00 0.00 C ATOM 1136 C THR A 82 -11.042 -1.708 9.734 1.00 0.00 C ATOM 1137 O THR A 82 -10.376 -0.680 9.847 1.00 0.00 O ATOM 1138 CB THR A 82 -12.452 -2.362 11.765 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.461 -0.942 11.882 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.310 -2.854 13.206 1.00 0.00 C ATOM 0 H THR A 82 -9.889 -1.682 12.221 1.00 0.00 H new ATOM 0 HA THR A 82 -11.325 -3.652 10.486 1.00 0.00 H new ATOM 0 HB THR A 82 -13.324 -2.829 11.306 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.235 -0.663 12.414 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.217 -2.618 13.762 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.153 -3.933 13.208 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.458 -2.362 13.676 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.657 -2.085 8.622 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.584 -1.278 7.416 1.00 0.00 C ATOM 1150 C PHE A 83 -11.736 0.209 7.740 1.00 0.00 C ATOM 1151 O PHE A 83 -11.241 1.062 7.005 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.743 -1.713 6.516 1.00 0.00 C ATOM 1153 CG PHE A 83 -13.201 -0.638 5.529 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -12.443 -0.350 4.436 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -14.366 0.031 5.744 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -12.869 0.648 3.520 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -14.791 1.029 4.828 1.00 0.00 C ATOM 1158 CZ PHE A 83 -14.033 1.316 3.735 1.00 0.00 C ATOM 0 H PHE A 83 -12.208 -2.939 8.531 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.617 -1.419 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.443 -2.600 5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.588 -2.001 7.142 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.518 -0.880 4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -14.968 -0.197 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.268 0.876 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -15.716 1.560 4.999 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.356 2.075 3.038 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.422 0.474 8.842 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.645 1.844 9.273 1.00 0.00 C ATOM 1170 C GLU A 84 -11.372 2.418 9.897 1.00 0.00 C ATOM 1171 O GLU A 84 -10.919 3.495 9.511 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.820 1.927 10.250 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.138 2.147 9.505 1.00 0.00 C ATOM 1174 CD GLU A 84 -16.171 2.824 10.408 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.779 3.797 11.088 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -17.329 2.354 10.397 1.00 0.00 O ATOM 0 H GLU A 84 -12.831 -0.236 9.449 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.899 2.443 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.877 1.009 10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.655 2.743 10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.963 2.762 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.526 1.190 9.155 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.830 1.674 10.849 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.617 2.096 11.530 1.00 0.00 C ATOM 1185 C GLU A 85 -8.652 2.750 10.539 1.00 0.00 C ATOM 1186 O GLU A 85 -8.386 3.948 10.625 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.953 0.919 12.246 1.00 0.00 C ATOM 1188 CG GLU A 85 -9.496 0.765 13.669 1.00 0.00 C ATOM 1189 CD GLU A 85 -8.993 1.893 14.572 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -7.755 2.003 14.708 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -9.858 2.621 15.106 1.00 0.00 O ATOM 0 H GLU A 85 -11.208 0.781 11.166 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.886 2.834 12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.129 0.001 11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.874 1.071 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.586 0.769 13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.188 -0.198 14.077 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.155 1.935 9.621 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.225 2.419 8.614 1.00 0.00 C ATOM 1200 C ALA A 86 -7.727 3.756 8.064 1.00 0.00 C ATOM 1201 O ALA A 86 -7.052 4.776 8.190 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.061 1.363 7.520 1.00 0.00 C ATOM 0 H ALA A 86 -8.378 0.942 9.553 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.241 2.590 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.364 1.726 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.675 0.443 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.028 1.166 7.056 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.908 3.707 7.465 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.508 4.901 6.895 1.00 0.00 C ATOM 1210 C ASN A 87 -9.357 6.062 7.880 1.00 0.00 C ATOM 1211 O ASN A 87 -9.054 7.185 7.479 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.001 4.695 6.632 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.249 3.391 5.872 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -10.361 2.820 5.261 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.503 2.954 5.943 1.00 0.00 N ATOM 0 H ASN A 87 -9.465 2.859 7.362 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.002 5.116 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.541 4.677 7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.392 5.535 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.770 2.092 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.198 3.481 6.472 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.575 5.752 9.149 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.468 6.755 10.194 1.00 0.00 C ATOM 1224 C GLN A 88 -8.021 7.238 10.319 1.00 0.00 C ATOM 1225 O GLN A 88 -7.771 8.437 10.436 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.982 6.214 11.530 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.053 7.134 12.118 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.176 7.384 11.110 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.533 8.511 10.806 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.711 6.274 10.609 1.00 0.00 N ATOM 0 H GLN A 88 -9.826 4.819 9.477 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.093 7.605 9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.394 5.215 11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.153 6.120 12.232 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.465 6.687 13.023 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.602 8.083 12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.365 5.362 10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.467 6.335 9.927 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.106 6.280 10.290 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.692 6.593 10.399 1.00 0.00 C ATOM 1241 C LEU A 89 -5.340 7.697 9.399 1.00 0.00 C ATOM 1242 O LEU A 89 -4.499 8.549 9.681 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.849 5.326 10.238 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.250 4.138 11.114 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -4.190 3.036 11.063 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.541 4.587 12.547 1.00 0.00 C ATOM 0 H LEU A 89 -7.317 5.287 10.193 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.462 6.977 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.894 5.014 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.810 5.575 10.452 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.172 3.716 10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.500 2.203 11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.075 2.689 10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.239 3.429 11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.824 3.723 13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.650 5.049 12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.357 5.309 12.543 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.000 7.645 8.252 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.768 8.630 7.209 1.00 0.00 C ATOM 1260 C LEU A 90 -6.341 9.978 7.650 1.00 0.00 C ATOM 1261 O LEU A 90 -5.617 10.969 7.729 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.320 8.134 5.871 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.423 7.171 5.091 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -4.070 7.812 4.779 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -5.269 5.842 5.834 1.00 0.00 C ATOM 0 H LEU A 90 -6.696 6.936 8.021 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.699 8.774 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.275 7.642 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.524 9.000 5.241 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.904 6.954 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.452 7.106 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.222 8.710 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.570 8.078 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.627 5.176 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.822 6.021 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.248 5.381 5.962 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.637 9.972 7.925 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.317 11.182 8.356 1.00 0.00 C ATOM 1279 C ARG A 91 -7.501 11.892 9.438 1.00 0.00 C ATOM 1280 O ARG A 91 -7.271 13.098 9.356 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.711 10.866 8.902 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.680 10.526 7.769 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.032 11.211 7.978 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.772 11.272 6.698 1.00 0.00 N ATOM 1285 CZ ARG A 91 -12.395 12.013 5.647 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -11.285 12.759 5.717 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -13.129 12.006 4.526 1.00 0.00 N ATOM 0 H ARG A 91 -8.235 9.148 7.858 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.419 11.833 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.652 10.029 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.088 11.721 9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.254 10.838 6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.820 9.446 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.615 10.664 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.882 12.217 8.369 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.622 10.715 6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.726 12.763 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.998 13.323 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.974 11.437 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.843 12.570 3.726 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.085 11.115 10.427 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.300 11.654 11.524 1.00 0.00 C ATOM 1303 C ASP A 92 -5.023 12.288 10.968 1.00 0.00 C ATOM 1304 O ASP A 92 -4.793 13.484 11.142 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.893 10.552 12.504 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.175 10.860 13.976 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -6.319 12.062 14.287 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -6.239 9.886 14.757 1.00 0.00 O ATOM 0 H ASP A 92 -7.277 10.115 10.491 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.910 12.392 12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.416 9.635 12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.827 10.358 12.387 1.00 0.00 H new ATOM 1313 N SER A 93 -4.227 11.458 10.310 1.00 0.00 N ATOM 1314 CA SER A 93 -2.979 11.923 9.727 1.00 0.00 C ATOM 1315 C SER A 93 -3.202 13.254 9.008 1.00 0.00 C ATOM 1316 O SER A 93 -2.342 14.133 9.042 1.00 0.00 O ATOM 1317 CB SER A 93 -2.404 10.886 8.760 1.00 0.00 C ATOM 1318 OG SER A 93 -2.187 9.628 9.393 1.00 0.00 O ATOM 0 H SER A 93 -4.421 10.467 10.168 1.00 0.00 H new ATOM 0 HA SER A 93 -2.258 12.069 10.531 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.086 10.756 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.462 11.254 8.352 1.00 0.00 H new ATOM 0 HG SER A 93 -1.297 9.618 9.804 1.00 0.00 H new ATOM 1324 N SER A 94 -4.360 13.361 8.373 1.00 0.00 N ATOM 1325 CA SER A 94 -4.706 14.571 7.646 1.00 0.00 C ATOM 1326 C SER A 94 -4.407 15.801 8.505 1.00 0.00 C ATOM 1327 O SER A 94 -4.184 16.890 7.979 1.00 0.00 O ATOM 1328 CB SER A 94 -6.177 14.560 7.227 1.00 0.00 C ATOM 1329 OG SER A 94 -6.432 15.454 6.147 1.00 0.00 O ATOM 0 H SER A 94 -5.071 12.630 8.347 1.00 0.00 H new ATOM 0 HA SER A 94 -4.099 14.612 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.463 13.549 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.799 14.835 8.079 1.00 0.00 H new ATOM 0 HG SER A 94 -7.382 15.416 5.908 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.413 15.586 9.812 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.146 16.664 10.749 1.00 0.00 C ATOM 1337 C ILE A 95 -2.804 17.313 10.404 1.00 0.00 C ATOM 1338 O ILE A 95 -2.748 18.502 10.095 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.230 16.154 12.190 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.684 16.078 12.660 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.370 17.007 13.124 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.841 15.062 13.794 1.00 0.00 C ATOM 0 H ILE A 95 -4.599 14.681 10.245 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.907 17.440 10.664 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.829 15.141 12.218 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.012 17.061 12.999 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.326 15.798 11.825 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.447 16.624 14.141 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.330 16.967 12.799 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.719 18.039 13.098 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.884 15.027 14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.535 14.076 13.444 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.216 15.358 14.637 1.00 0.00 H new ATOM 1354 N THR A 96 -1.758 16.503 10.468 1.00 0.00 N ATOM 1355 CA THR A 96 -0.420 16.984 10.166 1.00 0.00 C ATOM 1356 C THR A 96 -0.249 17.173 8.657 1.00 0.00 C ATOM 1357 O THR A 96 0.806 17.608 8.198 1.00 0.00 O ATOM 1358 CB THR A 96 0.584 16.002 10.773 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.854 16.579 10.482 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.607 14.660 10.038 1.00 0.00 C ATOM 0 H THR A 96 -1.809 15.517 10.724 1.00 0.00 H new ATOM 0 HA THR A 96 -0.244 17.965 10.607 1.00 0.00 H new ATOM 0 HB THR A 96 0.341 15.837 11.823 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.789 17.120 9.667 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.336 14.000 10.508 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.381 14.202 10.085 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.883 14.821 8.996 1.00 0.00 H new ATOM 1368 N SER A 97 -1.303 16.836 7.928 1.00 0.00 N ATOM 1369 CA SER A 97 -1.283 16.963 6.481 1.00 0.00 C ATOM 1370 C SER A 97 -0.157 16.108 5.896 1.00 0.00 C ATOM 1371 O SER A 97 0.441 16.471 4.884 1.00 0.00 O ATOM 1372 CB SER A 97 -1.114 18.424 6.058 1.00 0.00 C ATOM 1373 OG SER A 97 -2.357 19.024 5.703 1.00 0.00 O ATOM 0 H SER A 97 -2.176 16.475 8.313 1.00 0.00 H new ATOM 0 HA SER A 97 -2.238 16.609 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.659 18.987 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.430 18.480 5.211 1.00 0.00 H new ATOM 0 HG SER A 97 -2.207 19.956 5.441 1.00 0.00 H new ATOM 1379 N LYS A 98 0.098 14.989 6.558 1.00 0.00 N ATOM 1380 CA LYS A 98 1.142 14.080 6.117 1.00 0.00 C ATOM 1381 C LYS A 98 0.858 12.680 6.665 1.00 0.00 C ATOM 1382 O LYS A 98 0.538 12.523 7.843 1.00 0.00 O ATOM 1383 CB LYS A 98 2.521 14.621 6.498 1.00 0.00 C ATOM 1384 CG LYS A 98 3.505 14.482 5.335 1.00 0.00 C ATOM 1385 CD LYS A 98 4.409 15.712 5.231 1.00 0.00 C ATOM 1386 CE LYS A 98 4.537 16.177 3.779 1.00 0.00 C ATOM 1387 NZ LYS A 98 4.964 17.593 3.724 1.00 0.00 N ATOM 0 H LYS A 98 -0.401 14.691 7.397 1.00 0.00 H new ATOM 0 HA LYS A 98 1.145 14.003 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.438 15.669 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.900 14.082 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.115 13.589 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.956 14.350 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.003 16.519 5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.396 15.477 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.259 15.553 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.582 16.059 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.046 17.893 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.261 18.187 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.886 17.696 4.194 1.00 0.00 H new ATOM 1401 N VAL A 99 0.984 11.697 5.785 1.00 0.00 N ATOM 1402 CA VAL A 99 0.745 10.316 6.166 1.00 0.00 C ATOM 1403 C VAL A 99 1.854 9.433 5.590 1.00 0.00 C ATOM 1404 O VAL A 99 2.358 9.696 4.499 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.654 9.885 5.722 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.793 9.960 4.200 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -0.984 8.481 6.234 1.00 0.00 C ATOM 0 H VAL A 99 1.249 11.830 4.809 1.00 0.00 H new ATOM 0 HA VAL A 99 0.774 10.209 7.250 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.373 10.578 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.797 9.648 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.621 10.984 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.060 9.301 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.984 8.199 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.258 7.770 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.945 8.473 7.323 1.00 0.00 H new ATOM 1417 N THR A 100 2.202 8.404 6.348 1.00 0.00 N ATOM 1418 CA THR A 100 3.242 7.481 5.926 1.00 0.00 C ATOM 1419 C THR A 100 2.657 6.085 5.703 1.00 0.00 C ATOM 1420 O THR A 100 2.491 5.319 6.651 1.00 0.00 O ATOM 1421 CB THR A 100 4.356 7.513 6.974 1.00 0.00 C ATOM 1422 OG1 THR A 100 5.157 8.629 6.595 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.304 6.318 6.857 1.00 0.00 C ATOM 0 H THR A 100 1.782 8.189 7.252 1.00 0.00 H new ATOM 0 HA THR A 100 3.669 7.777 4.968 1.00 0.00 H new ATOM 0 HB THR A 100 3.916 7.531 7.971 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.903 8.725 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.076 6.389 7.624 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.743 5.394 6.992 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.770 6.318 5.872 1.00 0.00 H new ATOM 1431 N LEU A 101 2.362 5.796 4.444 1.00 0.00 N ATOM 1432 CA LEU A 101 1.799 4.505 4.085 1.00 0.00 C ATOM 1433 C LEU A 101 2.931 3.548 3.706 1.00 0.00 C ATOM 1434 O LEU A 101 3.635 3.772 2.723 1.00 0.00 O ATOM 1435 CB LEU A 101 0.740 4.668 2.993 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.540 5.398 3.404 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.895 6.492 2.395 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.692 4.412 3.610 1.00 0.00 C ATOM 0 H LEU A 101 2.502 6.433 3.660 1.00 0.00 H new ATOM 0 HA LEU A 101 1.280 4.065 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.188 5.205 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.468 3.678 2.627 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.361 5.888 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.809 6.995 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.082 7.216 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.048 6.045 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.590 4.957 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.880 3.873 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.428 3.702 4.394 1.00 0.00 H new ATOM 1450 N GLU A 102 3.071 2.501 4.506 1.00 0.00 N ATOM 1451 CA GLU A 102 4.105 1.509 4.267 1.00 0.00 C ATOM 1452 C GLU A 102 3.636 0.494 3.223 1.00 0.00 C ATOM 1453 O GLU A 102 2.636 -0.193 3.425 1.00 0.00 O ATOM 1454 CB GLU A 102 4.507 0.811 5.568 1.00 0.00 C ATOM 1455 CG GLU A 102 5.852 0.099 5.415 1.00 0.00 C ATOM 1456 CD GLU A 102 6.998 0.976 5.925 1.00 0.00 C ATOM 1457 OE1 GLU A 102 7.439 1.845 5.143 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.407 0.757 7.086 1.00 0.00 O ATOM 0 H GLU A 102 2.485 2.318 5.321 1.00 0.00 H new ATOM 0 HA GLU A 102 4.987 2.019 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.568 1.543 6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.740 0.090 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.835 -0.841 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.019 -0.150 4.367 1.00 0.00 H new ATOM 1465 N ILE A 103 4.381 0.432 2.129 1.00 0.00 N ATOM 1466 CA ILE A 103 4.053 -0.487 1.052 1.00 0.00 C ATOM 1467 C ILE A 103 5.157 -1.540 0.933 1.00 0.00 C ATOM 1468 O ILE A 103 6.251 -1.360 1.466 1.00 0.00 O ATOM 1469 CB ILE A 103 3.791 0.279 -0.246 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.735 1.367 -0.037 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.413 -0.676 -1.380 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.329 0.766 0.001 1.00 0.00 C ATOM 0 H ILE A 103 5.210 1.003 1.965 1.00 0.00 H new ATOM 0 HA ILE A 103 3.127 -1.018 1.273 1.00 0.00 H new ATOM 0 HB ILE A 103 4.714 0.778 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.933 1.897 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.799 2.100 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.232 -0.106 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.227 -1.381 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.510 -1.223 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.598 1.560 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.125 0.258 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.261 0.051 0.821 1.00 0.00 H new ATOM 1484 N GLU A 104 4.833 -2.615 0.229 1.00 0.00 N ATOM 1485 CA GLU A 104 5.784 -3.696 0.033 1.00 0.00 C ATOM 1486 C GLU A 104 5.834 -4.097 -1.443 1.00 0.00 C ATOM 1487 O GLU A 104 4.801 -4.376 -2.049 1.00 0.00 O ATOM 1488 CB GLU A 104 5.438 -4.897 0.916 1.00 0.00 C ATOM 1489 CG GLU A 104 6.148 -6.160 0.425 1.00 0.00 C ATOM 1490 CD GLU A 104 6.559 -7.050 1.600 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.679 -6.834 2.110 1.00 0.00 O ATOM 1492 OE2 GLU A 104 5.743 -7.926 1.960 1.00 0.00 O ATOM 0 H GLU A 104 3.925 -2.760 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 104 6.772 -3.343 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.727 -4.690 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.360 -5.057 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.490 -6.715 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.030 -5.884 -0.153 1.00 0.00 H new ATOM 1499 N PHE A 105 7.046 -4.113 -1.977 1.00 0.00 N ATOM 1500 CA PHE A 105 7.245 -4.475 -3.370 1.00 0.00 C ATOM 1501 C PHE A 105 8.386 -5.484 -3.517 1.00 0.00 C ATOM 1502 O PHE A 105 9.023 -5.854 -2.532 1.00 0.00 O ATOM 1503 CB PHE A 105 7.615 -3.192 -4.118 1.00 0.00 C ATOM 1504 CG PHE A 105 8.724 -2.379 -3.447 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.480 -1.733 -2.276 1.00 0.00 C ATOM 1506 CD2 PHE A 105 9.954 -2.303 -4.022 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.510 -0.978 -1.654 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.984 -1.549 -3.400 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.740 -0.902 -2.229 1.00 0.00 C ATOM 0 H PHE A 105 7.900 -3.881 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 105 6.339 -4.931 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.929 -3.451 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.726 -2.568 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.503 -1.794 -1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.148 -2.816 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.316 -0.464 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.961 -1.489 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.523 -0.328 -1.756 1.00 0.00 H new ATOM 1519 N ASP A 106 8.610 -5.899 -4.755 1.00 0.00 N ATOM 1520 CA ASP A 106 9.663 -6.858 -5.044 1.00 0.00 C ATOM 1521 C ASP A 106 10.944 -6.107 -5.412 1.00 0.00 C ATOM 1522 O ASP A 106 10.891 -4.955 -5.840 1.00 0.00 O ATOM 1523 CB ASP A 106 9.284 -7.753 -6.225 1.00 0.00 C ATOM 1524 CG ASP A 106 8.694 -7.019 -7.430 1.00 0.00 C ATOM 1525 OD1 ASP A 106 9.464 -6.271 -8.072 1.00 0.00 O ATOM 1526 OD2 ASP A 106 7.487 -7.221 -7.683 1.00 0.00 O ATOM 0 H ASP A 106 8.080 -5.589 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 106 9.810 -7.474 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 106 10.172 -8.297 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.563 -8.495 -5.882 1.00 0.00 H new