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 -67:sc= 0.912 USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= 0.349 X(o=1.9,f=2) USER MOD Set 1.3: A 56 SER OG : rot 10:sc= 0.797 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 F(o=1.5,f=2) USER MOD Set 1.5: A 89 MET CE :methyl 149:sc= 0 (180deg=-0.0338) USER MOD Set 1.6: A 97 GLN :FLIP amide:sc= -0.0172 F(o=0.23!,f=2) USER MOD Set 2.1: A 34 TYR OH : rot 78:sc= 0.977 USER MOD Set 2.2: A 40 SER OG : rot -20:sc= 0.834 USER MOD Set 2.3: A 51 GLN : amide:sc= -0.182 K(o=-0.068,f=-0.6) USER MOD Set 2.4: A 53 ASN : amide:sc= -1.7 K(o=-0.068,f=-2.1!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.136 X(o=0.51,f=0.5) USER MOD Set 3.2: A 62 SER OG : rot -28:sc= 0.649 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -83:sc= 0.729 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 180:sc= -0.0427 USER MOD Single : A 24 SER OG : rot 101:sc= 0.068 USER MOD Single : A 31 SER OG : rot 77:sc= 1.23 USER MOD Single : A 33 MET CE :methyl -100:sc= -3.99! (180deg=-5.04!) USER MOD Single : A 36 MET CE :methyl -175:sc= -0.802 (180deg=-0.86) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.0386 USER MOD Single : A 61 THR OG1 : rot 148:sc= -2.88! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 1.41 (180deg=1.34) USER MOD Single : A 76 CYS SG : rot 180:sc= -1.85 USER MOD Single : A 90 THR OG1 : rot -88:sc= 1.46 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.256 -3.156 -22.522 1.00 0.00 N ATOM 123 CA PHE A 9 -0.257 -2.144 -23.517 1.00 0.00 C ATOM 124 C PHE A 9 -1.153 -2.643 -24.611 1.00 0.00 C ATOM 125 O PHE A 9 -1.031 -3.800 -25.048 1.00 0.00 O ATOM 126 CB PHE A 9 1.158 -1.871 -24.042 1.00 0.00 C ATOM 127 CG PHE A 9 2.030 -1.116 -23.079 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.563 -1.732 -21.956 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.301 0.226 -23.294 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.352 -1.028 -21.072 1.00 0.00 C ATOM 131 CE2 PHE A 9 3.090 0.935 -22.408 1.00 0.00 C ATOM 132 CZ PHE A 9 3.616 0.306 -21.296 1.00 0.00 C ATOM 0 HA PHE A 9 -0.613 -1.197 -23.112 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.636 -2.821 -24.281 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.087 -1.307 -24.972 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.357 -2.776 -21.772 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.892 0.722 -24.162 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.763 -1.522 -20.204 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.295 1.980 -22.585 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.233 0.859 -20.603 1.00 0.00 H new ATOM 142 N ASN A 10 -2.055 -1.825 -25.033 1.00 0.00 N ATOM 143 CA ASN A 10 -3.057 -2.245 -25.980 1.00 0.00 C ATOM 144 C ASN A 10 -2.617 -1.854 -27.341 1.00 0.00 C ATOM 145 O ASN A 10 -1.504 -1.373 -27.504 1.00 0.00 O ATOM 146 CB ASN A 10 -4.421 -1.652 -25.615 1.00 0.00 C ATOM 147 CG ASN A 10 -4.944 -2.228 -24.309 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.713 -3.191 -24.304 1.00 0.00 O ATOM 149 ND2 ASN A 10 -4.479 -1.707 -23.199 1.00 0.00 N ATOM 0 H ASN A 10 -2.128 -0.851 -24.740 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.173 -3.328 -25.954 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.337 -0.569 -25.529 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.133 -1.854 -26.415 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.752 -2.099 -22.298 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.844 -0.910 -23.237 1.00 0.00 H new ATOM 156 N THR A 11 -3.415 -2.059 -28.317 1.00 0.00 N ATOM 157 CA THR A 11 -2.997 -1.736 -29.609 1.00 0.00 C ATOM 158 C THR A 11 -4.147 -1.104 -30.410 1.00 0.00 C ATOM 159 O THR A 11 -5.229 -1.691 -30.615 1.00 0.00 O ATOM 160 CB THR A 11 -2.319 -2.974 -30.277 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.634 -2.627 -31.487 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.297 -4.118 -30.518 1.00 0.00 C ATOM 0 H THR A 11 -4.355 -2.447 -28.240 1.00 0.00 H new ATOM 0 HA THR A 11 -2.226 -0.966 -29.580 1.00 0.00 H new ATOM 0 HB THR A 11 -1.576 -3.328 -29.562 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.223 -3.429 -31.872 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.773 -4.953 -30.984 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.721 -4.441 -29.567 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.098 -3.780 -31.176 1.00 0.00 H new ATOM 170 N TYR A 12 -3.921 0.113 -30.808 1.00 0.00 N ATOM 171 CA TYR A 12 -4.901 0.892 -31.500 1.00 0.00 C ATOM 172 C TYR A 12 -4.409 1.278 -32.849 1.00 0.00 C ATOM 173 O TYR A 12 -3.222 1.261 -33.104 1.00 0.00 O ATOM 174 CB TYR A 12 -5.242 2.153 -30.730 1.00 0.00 C ATOM 175 CG TYR A 12 -6.027 1.950 -29.464 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.421 1.882 -29.483 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.381 1.882 -28.240 1.00 0.00 C ATOM 178 CE1 TYR A 12 -8.134 1.753 -28.302 1.00 0.00 C ATOM 179 CE2 TYR A 12 -6.084 1.741 -27.069 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.457 1.681 -27.100 1.00 0.00 C ATOM 181 OH TYR A 12 -8.158 1.570 -25.917 1.00 0.00 O ATOM 0 H TYR A 12 -3.037 0.599 -30.658 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.794 0.275 -31.595 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.314 2.668 -30.482 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.808 2.815 -31.385 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.947 1.930 -30.425 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.303 1.941 -28.206 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.213 1.709 -28.321 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.560 1.677 -26.127 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.529 1.530 -25.167 1.00 0.00 H new ATOM 191 N VAL A 13 -5.322 1.634 -33.677 1.00 0.00 N ATOM 192 CA VAL A 13 -5.081 2.069 -35.018 1.00 0.00 C ATOM 193 C VAL A 13 -5.742 3.421 -35.263 1.00 0.00 C ATOM 194 O VAL A 13 -6.874 3.658 -34.841 1.00 0.00 O ATOM 195 CB VAL A 13 -5.581 1.010 -36.050 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.752 1.610 -37.424 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.572 -0.097 -36.155 1.00 0.00 C ATOM 0 H VAL A 13 -6.312 1.632 -33.432 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.005 2.181 -35.153 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.544 0.639 -35.700 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.101 0.843 -38.115 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.482 2.418 -37.380 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.796 2.003 -37.771 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.919 -0.838 -36.875 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.617 0.311 -36.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.447 -0.569 -35.180 1.00 0.00 H new ATOM 207 N VAL A 14 -5.047 4.292 -35.934 1.00 0.00 N ATOM 208 CA VAL A 14 -5.575 5.566 -36.259 1.00 0.00 C ATOM 209 C VAL A 14 -5.639 5.693 -37.747 1.00 0.00 C ATOM 210 O VAL A 14 -4.708 5.367 -38.438 1.00 0.00 O ATOM 211 CB VAL A 14 -4.788 6.737 -35.624 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.309 6.685 -35.977 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.406 8.085 -36.020 1.00 0.00 C ATOM 0 H VAL A 14 -4.097 4.130 -36.268 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.576 5.635 -35.834 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.861 6.632 -34.542 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.794 7.525 -35.511 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.881 5.750 -35.614 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.191 6.742 -37.059 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.837 8.894 -35.563 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.382 8.192 -37.104 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.439 8.127 -35.675 1.00 0.00 H new ATOM 223 N SER A 15 -6.749 6.083 -38.217 1.00 0.00 N ATOM 224 CA SER A 15 -6.974 6.231 -39.613 1.00 0.00 C ATOM 225 C SER A 15 -7.105 7.702 -39.952 1.00 0.00 C ATOM 226 O SER A 15 -8.017 8.367 -39.464 1.00 0.00 O ATOM 227 CB SER A 15 -8.222 5.444 -39.953 1.00 0.00 C ATOM 228 OG SER A 15 -8.006 4.077 -39.630 1.00 0.00 O ATOM 0 H SER A 15 -7.556 6.318 -37.638 1.00 0.00 H new ATOM 0 HA SER A 15 -6.142 5.847 -40.203 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.076 5.832 -39.397 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.457 5.549 -41.012 1.00 0.00 H new ATOM 0 HG SER A 15 -7.321 3.705 -40.224 1.00 0.00 H new ATOM 234 N PHE A 16 -6.176 8.221 -40.722 1.00 0.00 N ATOM 235 CA PHE A 16 -6.196 9.624 -41.066 1.00 0.00 C ATOM 236 C PHE A 16 -6.847 9.886 -42.393 1.00 0.00 C ATOM 237 O PHE A 16 -6.562 9.225 -43.385 1.00 0.00 O ATOM 238 CB PHE A 16 -4.810 10.244 -41.049 1.00 0.00 C ATOM 239 CG PHE A 16 -4.272 10.504 -39.685 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.543 9.549 -39.006 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.494 11.724 -39.083 1.00 0.00 C ATOM 242 CE1 PHE A 16 -3.048 9.814 -37.753 1.00 0.00 C ATOM 243 CE2 PHE A 16 -4.005 11.992 -37.831 1.00 0.00 C ATOM 244 CZ PHE A 16 -3.279 11.037 -37.160 1.00 0.00 C ATOM 0 H PHE A 16 -5.399 7.694 -41.121 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.798 10.098 -40.291 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.123 9.584 -41.578 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.838 11.183 -41.601 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.361 8.588 -39.463 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.062 12.480 -39.606 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.476 9.062 -37.230 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.190 12.952 -37.372 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.892 11.244 -36.173 1.00 0.00 H new ATOM 254 N ASP A 17 -7.699 10.858 -42.400 1.00 0.00 N ATOM 255 CA ASP A 17 -8.384 11.279 -43.598 1.00 0.00 C ATOM 256 C ASP A 17 -7.870 12.585 -43.981 1.00 0.00 C ATOM 257 O ASP A 17 -7.860 13.526 -43.159 1.00 0.00 O ATOM 258 CB ASP A 17 -9.852 11.415 -43.386 1.00 0.00 C ATOM 259 CG ASP A 17 -10.621 11.714 -44.666 1.00 0.00 C ATOM 260 OD1 ASP A 17 -11.000 10.758 -45.381 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.862 12.895 -44.978 1.00 0.00 O ATOM 0 H ASP A 17 -7.948 11.394 -41.569 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.214 10.524 -44.366 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.235 10.494 -42.947 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.036 12.212 -42.666 1.00 0.00 H new ATOM 266 N TYR A 18 -7.437 12.655 -45.177 1.00 0.00 N ATOM 267 CA TYR A 18 -6.865 13.842 -45.715 1.00 0.00 C ATOM 268 C TYR A 18 -6.616 13.648 -47.204 1.00 0.00 C ATOM 269 O TYR A 18 -6.170 12.573 -47.627 1.00 0.00 O ATOM 270 CB TYR A 18 -5.556 14.185 -44.957 1.00 0.00 C ATOM 271 CG TYR A 18 -4.389 13.215 -45.173 1.00 0.00 C ATOM 272 CD1 TYR A 18 -4.261 12.070 -44.399 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.433 13.445 -46.161 1.00 0.00 C ATOM 274 CE1 TYR A 18 -3.220 11.184 -44.598 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.393 12.560 -46.372 1.00 0.00 C ATOM 276 CZ TYR A 18 -2.291 11.431 -45.588 1.00 0.00 C ATOM 277 OH TYR A 18 -1.263 10.538 -45.801 1.00 0.00 O ATOM 0 H TYR A 18 -7.467 11.875 -45.833 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.551 14.680 -45.589 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.235 15.183 -45.257 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.776 14.228 -43.890 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.989 11.868 -43.627 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.507 14.332 -46.773 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.134 10.302 -43.981 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.665 12.752 -47.146 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.539 10.715 -45.165 1.00 0.00 H new ATOM 287 N PRO A 19 -6.961 14.640 -48.021 1.00 0.00 N ATOM 288 CA PRO A 19 -6.695 14.590 -49.449 1.00 0.00 C ATOM 289 C PRO A 19 -5.184 14.615 -49.742 1.00 0.00 C ATOM 290 O PRO A 19 -4.394 15.162 -48.948 1.00 0.00 O ATOM 291 CB PRO A 19 -7.381 15.841 -50.012 1.00 0.00 C ATOM 292 CG PRO A 19 -7.697 16.714 -48.851 1.00 0.00 C ATOM 293 CD PRO A 19 -7.682 15.859 -47.619 1.00 0.00 C ATOM 0 HA PRO A 19 -7.068 13.671 -49.900 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.729 16.356 -50.717 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.288 15.574 -50.554 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.966 17.518 -48.767 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.673 17.182 -48.979 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.179 16.363 -46.793 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.693 15.629 -47.284 1.00 0.00 H new ATOM 301 N SER A 20 -4.793 14.056 -50.883 1.00 0.00 N ATOM 302 CA SER A 20 -3.388 13.928 -51.293 1.00 0.00 C ATOM 303 C SER A 20 -2.666 15.287 -51.402 1.00 0.00 C ATOM 304 O SER A 20 -1.436 15.354 -51.380 1.00 0.00 O ATOM 305 CB SER A 20 -3.319 13.172 -52.617 1.00 0.00 C ATOM 306 OG SER A 20 -3.988 11.920 -52.507 1.00 0.00 O ATOM 0 H SER A 20 -5.449 13.672 -51.563 1.00 0.00 H new ATOM 0 HA SER A 20 -2.865 13.371 -50.516 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.775 13.768 -53.408 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.278 13.012 -52.899 1.00 0.00 H new ATOM 0 HG SER A 20 -3.938 11.446 -53.363 1.00 0.00 H new ATOM 312 N SER A 21 -3.426 16.351 -51.492 1.00 0.00 N ATOM 313 CA SER A 21 -2.892 17.687 -51.547 1.00 0.00 C ATOM 314 C SER A 21 -2.127 18.026 -50.237 1.00 0.00 C ATOM 315 O SER A 21 -1.144 18.791 -50.248 1.00 0.00 O ATOM 316 CB SER A 21 -4.047 18.683 -51.798 1.00 0.00 C ATOM 317 OG SER A 21 -3.589 20.019 -51.927 1.00 0.00 O ATOM 0 H SER A 21 -4.445 16.312 -51.529 1.00 0.00 H new ATOM 0 HA SER A 21 -2.178 17.762 -52.367 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.581 18.396 -52.704 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.760 18.624 -50.975 1.00 0.00 H new ATOM 0 HG SER A 21 -4.352 20.613 -52.086 1.00 0.00 H new ATOM 323 N TYR A 22 -2.526 17.411 -49.120 1.00 0.00 N ATOM 324 CA TYR A 22 -1.901 17.729 -47.838 1.00 0.00 C ATOM 325 C TYR A 22 -0.837 16.733 -47.449 1.00 0.00 C ATOM 326 O TYR A 22 -0.310 16.803 -46.342 1.00 0.00 O ATOM 327 CB TYR A 22 -2.906 17.849 -46.693 1.00 0.00 C ATOM 328 CG TYR A 22 -3.937 18.936 -46.813 1.00 0.00 C ATOM 329 CD1 TYR A 22 -5.077 18.752 -47.558 1.00 0.00 C ATOM 330 CD2 TYR A 22 -3.781 20.133 -46.139 1.00 0.00 C ATOM 331 CE1 TYR A 22 -6.044 19.732 -47.644 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.735 21.123 -46.216 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.868 20.918 -46.972 1.00 0.00 C ATOM 334 OH TYR A 22 -6.826 21.906 -47.050 1.00 0.00 O ATOM 0 H TYR A 22 -3.262 16.706 -49.078 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.438 18.703 -47.996 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.426 16.896 -46.595 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.351 18.006 -45.768 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.219 17.821 -48.087 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.896 20.294 -45.542 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.933 19.569 -48.235 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.596 22.054 -45.687 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.545 22.677 -46.515 1.00 0.00 H new ATOM 344 N SER A 23 -0.483 15.850 -48.350 1.00 0.00 N ATOM 345 CA SER A 23 0.522 14.834 -48.061 1.00 0.00 C ATOM 346 C SER A 23 1.858 15.494 -47.704 1.00 0.00 C ATOM 347 O SER A 23 2.505 15.118 -46.734 1.00 0.00 O ATOM 348 CB SER A 23 0.690 13.903 -49.252 1.00 0.00 C ATOM 349 OG SER A 23 -0.535 13.267 -49.594 1.00 0.00 O ATOM 0 H SER A 23 -0.871 15.807 -49.292 1.00 0.00 H new ATOM 0 HA SER A 23 0.187 14.245 -47.207 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.059 14.468 -50.108 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.441 13.148 -49.021 1.00 0.00 H new ATOM 0 HG SER A 23 -0.394 12.677 -50.364 1.00 0.00 H new ATOM 355 N SER A 24 2.192 16.553 -48.440 1.00 0.00 N ATOM 356 CA SER A 24 3.427 17.314 -48.268 1.00 0.00 C ATOM 357 C SER A 24 3.520 17.924 -46.857 1.00 0.00 C ATOM 358 O SER A 24 4.599 18.195 -46.340 1.00 0.00 O ATOM 359 CB SER A 24 3.403 18.428 -49.294 1.00 0.00 C ATOM 360 OG SER A 24 2.892 17.939 -50.534 1.00 0.00 O ATOM 0 H SER A 24 1.599 16.913 -49.188 1.00 0.00 H new ATOM 0 HA SER A 24 4.288 16.658 -48.398 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.784 19.251 -48.935 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.408 18.824 -49.436 1.00 0.00 H new ATOM 0 HG SER A 24 1.954 18.206 -50.629 1.00 0.00 H new ATOM 366 N VAL A 25 2.384 18.108 -46.264 1.00 0.00 N ATOM 367 CA VAL A 25 2.256 18.724 -44.964 1.00 0.00 C ATOM 368 C VAL A 25 2.190 17.668 -43.875 1.00 0.00 C ATOM 369 O VAL A 25 2.730 17.829 -42.777 1.00 0.00 O ATOM 370 CB VAL A 25 0.962 19.573 -44.915 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.671 20.043 -43.511 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.059 20.748 -45.862 1.00 0.00 C ATOM 0 H VAL A 25 1.492 17.830 -46.673 1.00 0.00 H new ATOM 0 HA VAL A 25 3.128 19.357 -44.797 1.00 0.00 H new ATOM 0 HB VAL A 25 0.134 18.940 -45.234 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.243 20.637 -43.508 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.545 19.180 -42.857 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.500 20.653 -43.152 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.140 21.332 -45.813 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.903 21.376 -45.578 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.204 20.384 -46.879 1.00 0.00 H new ATOM 382 N PHE A 26 1.592 16.572 -44.200 1.00 0.00 N ATOM 383 CA PHE A 26 1.315 15.558 -43.247 1.00 0.00 C ATOM 384 C PHE A 26 2.565 14.785 -42.857 1.00 0.00 C ATOM 385 O PHE A 26 2.632 14.198 -41.776 1.00 0.00 O ATOM 386 CB PHE A 26 0.208 14.662 -43.777 1.00 0.00 C ATOM 387 CG PHE A 26 0.214 13.294 -43.182 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.319 13.072 -41.923 1.00 0.00 C ATOM 389 CD2 PHE A 26 0.815 12.243 -43.852 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.258 11.821 -41.356 1.00 0.00 C ATOM 391 CE2 PHE A 26 0.887 11.003 -43.281 1.00 0.00 C ATOM 392 CZ PHE A 26 0.349 10.792 -42.036 1.00 0.00 C ATOM 0 H PHE A 26 1.279 16.355 -45.146 1.00 0.00 H new ATOM 0 HA PHE A 26 0.966 16.021 -42.324 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.755 15.132 -43.578 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.305 14.579 -44.860 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.784 13.885 -41.385 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.231 12.404 -44.836 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.686 11.647 -40.380 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.366 10.191 -43.808 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.403 9.811 -41.588 1.00 0.00 H new ATOM 402 N LEU A 27 3.573 14.829 -43.699 1.00 0.00 N ATOM 403 CA LEU A 27 4.823 14.128 -43.418 1.00 0.00 C ATOM 404 C LEU A 27 5.450 14.677 -42.129 1.00 0.00 C ATOM 405 O LEU A 27 6.212 13.999 -41.448 1.00 0.00 O ATOM 406 CB LEU A 27 5.809 14.284 -44.572 1.00 0.00 C ATOM 407 CG LEU A 27 5.265 14.018 -45.977 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.363 14.104 -47.010 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.523 12.692 -46.055 1.00 0.00 C ATOM 0 H LEU A 27 3.560 15.338 -44.583 1.00 0.00 H new ATOM 0 HA LEU A 27 4.599 13.068 -43.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.206 15.299 -44.547 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.647 13.610 -44.398 1.00 0.00 H new ATOM 0 HG LEU A 27 4.539 14.800 -46.200 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.948 13.911 -47.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.804 15.101 -46.990 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.131 13.363 -46.788 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.153 12.541 -47.069 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.201 11.880 -45.792 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.683 12.704 -45.360 1.00 0.00 H new ATOM 421 N ARG A 28 5.061 15.885 -41.781 1.00 0.00 N ATOM 422 CA ARG A 28 5.543 16.533 -40.585 1.00 0.00 C ATOM 423 C ARG A 28 4.836 15.897 -39.389 1.00 0.00 C ATOM 424 O ARG A 28 5.467 15.454 -38.446 1.00 0.00 O ATOM 425 CB ARG A 28 5.257 18.039 -40.650 1.00 0.00 C ATOM 426 CG ARG A 28 5.667 18.690 -41.970 1.00 0.00 C ATOM 427 CD ARG A 28 7.136 18.475 -42.279 1.00 0.00 C ATOM 428 NE ARG A 28 8.024 19.204 -41.353 1.00 0.00 N ATOM 429 CZ ARG A 28 9.356 19.273 -41.470 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.977 18.616 -42.436 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.066 20.005 -40.620 1.00 0.00 N ATOM 0 H ARG A 28 4.401 16.444 -42.321 1.00 0.00 H new ATOM 0 HA ARG A 28 6.621 16.405 -40.488 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.191 18.204 -40.490 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.782 18.534 -39.833 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.063 18.280 -42.779 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.459 19.759 -41.927 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.362 17.410 -42.230 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.339 18.797 -43.300 1.00 0.00 H new ATOM 0 HE ARG A 28 7.592 19.690 -40.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.441 18.053 -43.096 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.992 18.672 -42.520 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.597 20.518 -39.874 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.081 20.054 -40.713 1.00 0.00 H new ATOM 445 N LEU A 29 3.519 15.765 -39.508 1.00 0.00 N ATOM 446 CA LEU A 29 2.664 15.158 -38.480 1.00 0.00 C ATOM 447 C LEU A 29 3.044 13.691 -38.284 1.00 0.00 C ATOM 448 O LEU A 29 3.009 13.171 -37.168 1.00 0.00 O ATOM 449 CB LEU A 29 1.167 15.307 -38.907 1.00 0.00 C ATOM 450 CG LEU A 29 0.027 14.828 -37.943 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.203 13.328 -38.021 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.304 15.241 -36.498 1.00 0.00 C ATOM 0 H LEU A 29 3.003 16.079 -40.330 1.00 0.00 H new ATOM 0 HA LEU A 29 2.807 15.667 -37.527 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.993 16.362 -39.116 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.043 14.771 -39.848 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.884 15.323 -38.279 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.002 13.046 -37.335 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.485 13.056 -39.038 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.713 12.805 -37.746 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.507 14.892 -35.858 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.244 14.799 -36.167 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.373 16.327 -36.437 1.00 0.00 H new ATOM 464 N ARG A 30 3.449 13.028 -39.361 1.00 0.00 N ATOM 465 CA ARG A 30 3.790 11.616 -39.262 1.00 0.00 C ATOM 466 C ARG A 30 5.058 11.463 -38.430 1.00 0.00 C ATOM 467 O ARG A 30 5.181 10.549 -37.618 1.00 0.00 O ATOM 468 CB ARG A 30 3.919 10.942 -40.646 1.00 0.00 C ATOM 469 CG ARG A 30 5.299 10.998 -41.265 1.00 0.00 C ATOM 470 CD ARG A 30 5.353 10.357 -42.635 1.00 0.00 C ATOM 471 NE ARG A 30 6.740 10.191 -43.061 1.00 0.00 N ATOM 472 CZ ARG A 30 7.154 9.759 -44.253 1.00 0.00 C ATOM 473 NH1 ARG A 30 6.271 9.445 -45.204 1.00 0.00 N ATOM 474 NH2 ARG A 30 8.456 9.632 -44.482 1.00 0.00 N ATOM 0 H ARG A 30 3.548 13.434 -40.291 1.00 0.00 H new ATOM 0 HA ARG A 30 2.973 11.097 -38.761 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.623 9.897 -40.552 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.213 11.414 -41.329 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.616 12.038 -41.343 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.008 10.497 -40.606 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.854 9.388 -42.611 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.816 10.974 -43.355 1.00 0.00 H new ATOM 0 HE ARG A 30 7.462 10.428 -42.381 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.271 9.535 -45.022 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.596 9.115 -46.113 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.128 9.864 -43.750 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.784 9.303 -45.390 1.00 0.00 H new ATOM 488 N SER A 31 5.945 12.423 -38.586 1.00 0.00 N ATOM 489 CA SER A 31 7.187 12.473 -37.844 1.00 0.00 C ATOM 490 C SER A 31 6.900 12.683 -36.353 1.00 0.00 C ATOM 491 O SER A 31 7.633 12.204 -35.490 1.00 0.00 O ATOM 492 CB SER A 31 8.076 13.576 -38.411 1.00 0.00 C ATOM 493 OG SER A 31 8.271 13.373 -39.810 1.00 0.00 O ATOM 0 H SER A 31 5.823 13.198 -39.238 1.00 0.00 H new ATOM 0 HA SER A 31 7.718 11.526 -37.946 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.618 14.550 -38.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.038 13.580 -37.898 1.00 0.00 H new ATOM 0 HG SER A 31 7.465 13.648 -40.296 1.00 0.00 H new ATOM 499 N LEU A 32 5.802 13.363 -36.067 1.00 0.00 N ATOM 500 CA LEU A 32 5.336 13.559 -34.697 1.00 0.00 C ATOM 501 C LEU A 32 4.811 12.257 -34.126 1.00 0.00 C ATOM 502 O LEU A 32 4.991 11.965 -32.947 1.00 0.00 O ATOM 503 CB LEU A 32 4.236 14.627 -34.628 1.00 0.00 C ATOM 504 CG LEU A 32 4.661 16.088 -34.418 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.257 16.258 -33.039 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.656 16.539 -35.467 1.00 0.00 C ATOM 0 H LEU A 32 5.207 13.795 -36.774 1.00 0.00 H new ATOM 0 HA LEU A 32 6.187 13.899 -34.106 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.663 14.576 -35.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.559 14.357 -33.818 1.00 0.00 H new ATOM 0 HG LEU A 32 3.771 16.710 -34.513 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.556 17.297 -32.897 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.516 15.988 -32.287 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.129 15.612 -32.937 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.932 17.578 -35.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.547 15.913 -35.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.206 16.452 -36.456 1.00 0.00 H new ATOM 518 N MET A 33 4.148 11.491 -34.961 1.00 0.00 N ATOM 519 CA MET A 33 3.609 10.207 -34.578 1.00 0.00 C ATOM 520 C MET A 33 4.685 9.198 -34.258 1.00 0.00 C ATOM 521 O MET A 33 4.612 8.538 -33.240 1.00 0.00 O ATOM 522 CB MET A 33 2.691 9.666 -35.645 1.00 0.00 C ATOM 523 CG MET A 33 1.492 10.535 -35.899 1.00 0.00 C ATOM 524 SD MET A 33 0.217 9.680 -36.828 1.00 0.00 S ATOM 525 CE MET A 33 1.047 9.404 -38.380 1.00 0.00 C ATOM 0 H MET A 33 3.966 11.743 -35.932 1.00 0.00 H new ATOM 0 HA MET A 33 3.036 10.373 -33.665 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.252 9.553 -36.573 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.354 8.671 -35.353 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.081 10.871 -34.947 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.801 11.426 -36.445 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.726 10.154 -39.103 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.125 9.479 -38.235 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.799 8.410 -38.753 1.00 0.00 H new ATOM 535 N TYR A 34 5.682 9.085 -35.113 1.00 0.00 N ATOM 536 CA TYR A 34 6.777 8.137 -34.866 1.00 0.00 C ATOM 537 C TYR A 34 7.685 8.630 -33.747 1.00 0.00 C ATOM 538 O TYR A 34 8.480 7.877 -33.187 1.00 0.00 O ATOM 539 CB TYR A 34 7.561 7.866 -36.133 1.00 0.00 C ATOM 540 CG TYR A 34 6.690 7.350 -37.253 1.00 0.00 C ATOM 541 CD1 TYR A 34 5.904 6.209 -37.090 1.00 0.00 C ATOM 542 CD2 TYR A 34 6.624 8.020 -38.458 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.093 5.763 -38.105 1.00 0.00 C ATOM 544 CE2 TYR A 34 5.810 7.581 -39.476 1.00 0.00 C ATOM 545 CZ TYR A 34 5.049 6.453 -39.296 1.00 0.00 C ATOM 546 OH TYR A 34 4.232 6.018 -40.302 1.00 0.00 O ATOM 0 H TYR A 34 5.767 9.624 -35.975 1.00 0.00 H new ATOM 0 HA TYR A 34 6.337 7.193 -34.543 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.055 8.783 -36.454 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.345 7.139 -35.923 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.934 5.670 -36.155 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.223 8.906 -38.604 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.493 4.875 -37.970 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.770 8.120 -40.411 1.00 0.00 H new ATOM 0 HH TYR A 34 3.308 6.283 -40.111 1.00 0.00 H new ATOM 556 N ASP A 35 7.583 9.912 -33.463 1.00 0.00 N ATOM 557 CA ASP A 35 8.226 10.524 -32.293 1.00 0.00 C ATOM 558 C ASP A 35 7.560 9.971 -31.028 1.00 0.00 C ATOM 559 O ASP A 35 8.195 9.762 -29.987 1.00 0.00 O ATOM 560 CB ASP A 35 8.060 12.037 -32.370 1.00 0.00 C ATOM 561 CG ASP A 35 8.577 12.781 -31.176 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.761 13.149 -31.165 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.787 13.079 -30.266 1.00 0.00 O ATOM 0 H ASP A 35 7.052 10.571 -34.033 1.00 0.00 H new ATOM 0 HA ASP A 35 9.290 10.290 -32.269 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.574 12.401 -33.260 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.002 12.268 -32.496 1.00 0.00 H new ATOM 568 N MET A 36 6.279 9.703 -31.166 1.00 0.00 N ATOM 569 CA MET A 36 5.466 9.086 -30.146 1.00 0.00 C ATOM 570 C MET A 36 5.469 7.561 -30.352 1.00 0.00 C ATOM 571 O MET A 36 6.397 7.013 -30.947 1.00 0.00 O ATOM 572 CB MET A 36 4.033 9.682 -30.173 1.00 0.00 C ATOM 573 CG MET A 36 3.963 11.083 -29.584 1.00 0.00 C ATOM 574 SD MET A 36 2.328 11.881 -29.701 1.00 0.00 S ATOM 575 CE MET A 36 2.174 12.192 -31.471 1.00 0.00 C ATOM 0 H MET A 36 5.761 9.916 -32.018 1.00 0.00 H new ATOM 0 HA MET A 36 5.878 9.293 -29.158 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.675 9.708 -31.202 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.362 9.026 -29.618 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.254 11.036 -28.535 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.696 11.712 -30.090 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.261 12.755 -31.663 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.034 12.767 -31.816 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.134 11.243 -32.005 1.00 0.00 H new ATOM 585 N ASN A 37 4.451 6.888 -29.888 1.00 0.00 N ATOM 586 CA ASN A 37 4.418 5.421 -29.921 1.00 0.00 C ATOM 587 C ASN A 37 3.795 4.835 -31.160 1.00 0.00 C ATOM 588 O ASN A 37 3.632 3.614 -31.252 1.00 0.00 O ATOM 589 CB ASN A 37 3.763 4.839 -28.689 1.00 0.00 C ATOM 590 CG ASN A 37 4.727 4.669 -27.554 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.336 3.610 -27.394 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.893 5.687 -26.770 1.00 0.00 N ATOM 0 H ASN A 37 3.623 7.319 -29.478 1.00 0.00 H new ATOM 0 HA ASN A 37 5.469 5.134 -29.939 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.946 5.489 -28.374 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.324 3.873 -28.937 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.546 5.628 -25.989 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.371 6.548 -26.934 1.00 0.00 H new ATOM 599 N PHE A 38 3.379 5.679 -32.069 1.00 0.00 N ATOM 600 CA PHE A 38 2.789 5.211 -33.308 1.00 0.00 C ATOM 601 C PHE A 38 3.807 4.456 -34.154 1.00 0.00 C ATOM 602 O PHE A 38 4.995 4.774 -34.150 1.00 0.00 O ATOM 603 CB PHE A 38 2.213 6.351 -34.116 1.00 0.00 C ATOM 604 CG PHE A 38 1.143 7.087 -33.402 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.454 8.163 -32.594 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.175 6.701 -33.528 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.483 8.842 -31.927 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.159 7.381 -32.857 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.821 8.456 -32.054 1.00 0.00 C ATOM 0 H PHE A 38 3.435 6.694 -31.980 1.00 0.00 H new ATOM 0 HA PHE A 38 1.980 4.533 -33.034 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.012 7.045 -34.375 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.814 5.960 -35.052 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.484 8.470 -32.490 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.433 5.861 -34.156 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.742 9.682 -31.300 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.191 7.079 -32.955 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.593 8.993 -31.524 1.00 0.00 H new ATOM 619 N SER A 39 3.338 3.487 -34.877 1.00 0.00 N ATOM 620 CA SER A 39 4.177 2.662 -35.688 1.00 0.00 C ATOM 621 C SER A 39 3.628 2.540 -37.107 1.00 0.00 C ATOM 622 O SER A 39 2.463 2.883 -37.381 1.00 0.00 O ATOM 623 CB SER A 39 4.269 1.285 -35.069 1.00 0.00 C ATOM 624 OG SER A 39 4.737 1.342 -33.726 1.00 0.00 O ATOM 0 H SER A 39 2.348 3.244 -34.921 1.00 0.00 H new ATOM 0 HA SER A 39 5.164 3.122 -35.740 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.289 0.809 -35.093 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.940 0.663 -35.662 1.00 0.00 H new ATOM 0 HG SER A 39 4.783 0.435 -33.357 1.00 0.00 H new ATOM 630 N SER A 40 4.465 2.040 -37.982 1.00 0.00 N ATOM 631 CA SER A 40 4.145 1.830 -39.369 1.00 0.00 C ATOM 632 C SER A 40 3.743 0.385 -39.602 1.00 0.00 C ATOM 633 O SER A 40 3.130 0.054 -40.624 1.00 0.00 O ATOM 634 CB SER A 40 5.377 2.109 -40.193 1.00 0.00 C ATOM 635 OG SER A 40 5.950 3.342 -39.839 1.00 0.00 O ATOM 0 H SER A 40 5.415 1.760 -37.740 1.00 0.00 H new ATOM 0 HA SER A 40 3.323 2.489 -39.649 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.105 1.311 -40.048 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.117 2.115 -41.252 1.00 0.00 H new ATOM 0 HG SER A 40 5.283 3.893 -39.379 1.00 0.00 H new ATOM 641 N ILE A 41 4.136 -0.463 -38.681 1.00 0.00 N ATOM 642 CA ILE A 41 3.878 -1.887 -38.737 1.00 0.00 C ATOM 643 C ILE A 41 3.198 -2.332 -37.438 1.00 0.00 C ATOM 644 O ILE A 41 3.464 -1.763 -36.368 1.00 0.00 O ATOM 645 CB ILE A 41 5.229 -2.721 -38.934 1.00 0.00 C ATOM 646 CG1 ILE A 41 5.711 -2.778 -40.393 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.160 -4.131 -38.365 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.213 -1.482 -40.958 1.00 0.00 C ATOM 0 H ILE A 41 4.656 -0.178 -37.851 1.00 0.00 H new ATOM 0 HA ILE A 41 3.230 -2.079 -39.592 1.00 0.00 H new ATOM 0 HB ILE A 41 5.963 -2.158 -38.358 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.507 -3.519 -40.466 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.889 -3.132 -41.015 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.110 -4.638 -38.534 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.960 -4.082 -37.295 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.361 -4.684 -38.858 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.528 -1.633 -41.991 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.417 -0.739 -40.926 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.060 -1.132 -40.368 1.00 0.00 H new ATOM 660 N VAL A 42 2.313 -3.294 -37.551 1.00 0.00 N ATOM 661 CA VAL A 42 1.678 -3.945 -36.417 1.00 0.00 C ATOM 662 C VAL A 42 1.197 -5.304 -36.909 1.00 0.00 C ATOM 663 O VAL A 42 1.009 -5.484 -38.123 1.00 0.00 O ATOM 664 CB VAL A 42 0.485 -3.110 -35.838 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.615 -2.989 -36.847 1.00 0.00 C ATOM 666 CG2 VAL A 42 -0.048 -3.698 -34.534 1.00 0.00 C ATOM 0 H VAL A 42 2.004 -3.658 -38.452 1.00 0.00 H new ATOM 0 HA VAL A 42 2.392 -4.044 -35.599 1.00 0.00 H new ATOM 0 HB VAL A 42 0.868 -2.115 -35.613 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.433 -2.406 -36.425 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.237 -2.491 -37.740 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.977 -3.983 -37.112 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.874 -3.087 -34.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.400 -4.715 -34.710 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.748 -3.713 -33.790 1.00 0.00 H new ATOM 676 N ALA A 43 1.088 -6.254 -36.029 1.00 0.00 N ATOM 677 CA ALA A 43 0.616 -7.560 -36.379 1.00 0.00 C ATOM 678 C ALA A 43 -0.863 -7.542 -36.774 1.00 0.00 C ATOM 679 O ALA A 43 -1.670 -6.809 -36.205 1.00 0.00 O ATOM 680 CB ALA A 43 0.858 -8.535 -35.241 1.00 0.00 C ATOM 0 H ALA A 43 1.325 -6.144 -35.043 1.00 0.00 H new ATOM 0 HA ALA A 43 1.180 -7.893 -37.250 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.493 -9.522 -35.524 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.926 -8.590 -35.029 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.329 -8.194 -34.351 1.00 0.00 H new ATOM 686 N ASP A 44 -1.171 -8.356 -37.760 1.00 0.00 N ATOM 687 CA ASP A 44 -2.520 -8.578 -38.294 1.00 0.00 C ATOM 688 C ASP A 44 -3.223 -9.523 -37.319 1.00 0.00 C ATOM 689 O ASP A 44 -2.679 -9.832 -36.250 1.00 0.00 O ATOM 690 CB ASP A 44 -2.341 -9.299 -39.654 1.00 0.00 C ATOM 691 CG ASP A 44 -3.561 -9.420 -40.558 1.00 0.00 C ATOM 692 OD1 ASP A 44 -4.413 -10.274 -40.279 1.00 0.00 O ATOM 693 OD2 ASP A 44 -3.599 -8.748 -41.596 1.00 0.00 O ATOM 0 H ASP A 44 -0.464 -8.912 -38.241 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.089 -7.656 -38.417 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.562 -8.777 -40.210 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.971 -10.305 -39.454 1.00 0.00 H new ATOM 698 N GLU A 45 -4.340 -10.067 -37.700 1.00 0.00 N ATOM 699 CA GLU A 45 -5.058 -10.959 -36.827 1.00 0.00 C ATOM 700 C GLU A 45 -4.402 -12.312 -36.923 1.00 0.00 C ATOM 701 O GLU A 45 -4.509 -13.140 -36.023 1.00 0.00 O ATOM 702 CB GLU A 45 -6.551 -11.051 -37.169 1.00 0.00 C ATOM 703 CG GLU A 45 -6.879 -11.795 -38.451 1.00 0.00 C ATOM 704 CD GLU A 45 -8.368 -11.871 -38.691 1.00 0.00 C ATOM 705 OE1 GLU A 45 -9.006 -10.834 -38.913 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.937 -12.992 -38.600 1.00 0.00 O ATOM 0 H GLU A 45 -4.777 -9.912 -38.608 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.014 -10.573 -35.809 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.067 -11.540 -36.343 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.953 -10.040 -37.242 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.400 -11.296 -39.293 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.467 -12.803 -38.402 1.00 0.00 H new ATOM 713 N TYR A 46 -3.693 -12.512 -38.040 1.00 0.00 N ATOM 714 CA TYR A 46 -2.931 -13.724 -38.263 1.00 0.00 C ATOM 715 C TYR A 46 -1.649 -13.646 -37.449 1.00 0.00 C ATOM 716 O TYR A 46 -1.026 -14.654 -37.137 1.00 0.00 O ATOM 717 CB TYR A 46 -2.489 -13.847 -39.720 1.00 0.00 C ATOM 718 CG TYR A 46 -3.513 -13.561 -40.778 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.834 -13.951 -40.652 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.135 -12.885 -41.923 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.744 -13.667 -41.639 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.035 -12.605 -42.911 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.334 -12.992 -42.769 1.00 0.00 C ATOM 724 OH TYR A 46 -6.220 -12.731 -43.775 1.00 0.00 O ATOM 0 H TYR A 46 -3.638 -11.838 -38.803 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.564 -14.567 -37.987 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.647 -13.172 -39.875 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.118 -14.860 -39.875 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.152 -14.484 -39.768 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.108 -12.572 -42.038 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.775 -13.970 -41.531 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.719 -12.080 -43.800 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.764 -12.247 -44.495 1.00 0.00 H new ATOM 734 N GLY A 47 -1.256 -12.426 -37.131 1.00 0.00 N ATOM 735 CA GLY A 47 -0.002 -12.207 -36.452 1.00 0.00 C ATOM 736 C GLY A 47 1.085 -11.739 -37.403 1.00 0.00 C ATOM 737 O GLY A 47 2.256 -11.687 -37.044 1.00 0.00 O ATOM 0 H GLY A 47 -1.787 -11.579 -37.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.140 -11.465 -35.666 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.314 -13.131 -35.967 1.00 0.00 H new ATOM 741 N ILE A 48 0.697 -11.383 -38.613 1.00 0.00 N ATOM 742 CA ILE A 48 1.639 -10.943 -39.623 1.00 0.00 C ATOM 743 C ILE A 48 1.852 -9.450 -39.519 1.00 0.00 C ATOM 744 O ILE A 48 0.893 -8.701 -39.482 1.00 0.00 O ATOM 745 CB ILE A 48 1.197 -11.362 -41.082 1.00 0.00 C ATOM 746 CG1 ILE A 48 1.635 -12.793 -41.392 1.00 0.00 C ATOM 747 CG2 ILE A 48 1.726 -10.419 -42.159 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.024 -13.851 -40.522 1.00 0.00 C ATOM 0 H ILE A 48 -0.275 -11.391 -38.922 1.00 0.00 H new ATOM 0 HA ILE A 48 2.587 -11.447 -39.434 1.00 0.00 H new ATOM 0 HB ILE A 48 0.109 -11.298 -41.099 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.390 -13.014 -42.431 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.720 -12.852 -41.301 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.389 -10.759 -43.138 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.352 -9.412 -41.976 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.816 -10.412 -42.133 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.398 -14.830 -40.822 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.289 -13.664 -39.481 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.060 -13.829 -40.629 1.00 0.00 H new ATOM 760 N PRO A 49 3.105 -9.007 -39.414 1.00 0.00 N ATOM 761 CA PRO A 49 3.424 -7.588 -39.327 1.00 0.00 C ATOM 762 C PRO A 49 3.069 -6.844 -40.623 1.00 0.00 C ATOM 763 O PRO A 49 3.764 -6.950 -41.641 1.00 0.00 O ATOM 764 CB PRO A 49 4.932 -7.562 -39.074 1.00 0.00 C ATOM 765 CG PRO A 49 5.438 -8.883 -39.550 1.00 0.00 C ATOM 766 CD PRO A 49 4.315 -9.857 -39.367 1.00 0.00 C ATOM 0 HA PRO A 49 2.855 -7.087 -38.544 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.407 -6.742 -39.613 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.150 -7.416 -38.016 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.739 -8.829 -40.596 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.315 -9.191 -38.981 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.306 -10.611 -40.154 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.395 -10.388 -38.418 1.00 0.00 H new ATOM 774 N ARG A 50 1.961 -6.170 -40.588 1.00 0.00 N ATOM 775 CA ARG A 50 1.438 -5.421 -41.713 1.00 0.00 C ATOM 776 C ARG A 50 1.945 -3.999 -41.710 1.00 0.00 C ATOM 777 O ARG A 50 2.282 -3.460 -40.661 1.00 0.00 O ATOM 778 CB ARG A 50 -0.066 -5.352 -41.589 1.00 0.00 C ATOM 779 CG ARG A 50 -0.793 -6.664 -41.738 1.00 0.00 C ATOM 780 CD ARG A 50 -0.836 -7.101 -43.171 1.00 0.00 C ATOM 781 NE ARG A 50 -1.751 -8.206 -43.352 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.730 -9.077 -44.340 1.00 0.00 C ATOM 783 NH1 ARG A 50 -0.821 -8.981 -45.306 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.638 -10.035 -44.371 1.00 0.00 N ATOM 0 H ARG A 50 1.371 -6.118 -39.757 1.00 0.00 H new ATOM 0 HA ARG A 50 1.756 -5.921 -42.628 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.313 -4.929 -40.615 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.443 -4.661 -42.342 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.298 -7.427 -41.137 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.809 -6.565 -41.355 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.142 -6.265 -43.800 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.162 -7.395 -43.495 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.481 -8.322 -42.649 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.133 -8.229 -45.286 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.812 -9.660 -46.067 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.343 -10.093 -43.636 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.634 -10.717 -45.130 1.00 0.00 H new ATOM 798 N GLN A 51 1.984 -3.401 -42.878 1.00 0.00 N ATOM 799 CA GLN A 51 2.268 -1.990 -43.013 1.00 0.00 C ATOM 800 C GLN A 51 0.966 -1.239 -42.971 1.00 0.00 C ATOM 801 O GLN A 51 -0.026 -1.655 -43.553 1.00 0.00 O ATOM 802 CB GLN A 51 2.979 -1.671 -44.315 1.00 0.00 C ATOM 803 CG GLN A 51 4.472 -1.853 -44.279 1.00 0.00 C ATOM 804 CD GLN A 51 5.227 -0.541 -44.119 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.324 -0.373 -44.650 1.00 0.00 O ATOM 806 NE2 GLN A 51 4.706 0.347 -43.315 1.00 0.00 N ATOM 0 H GLN A 51 1.819 -3.880 -43.764 1.00 0.00 H new ATOM 0 HA GLN A 51 2.926 -1.695 -42.196 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.569 -2.304 -45.101 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.759 -0.639 -44.589 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.732 -2.518 -43.455 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.795 -2.342 -45.198 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.794 0.178 -42.890 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.211 1.210 -43.112 1.00 0.00 H new ATOM 815 N LEU A 52 0.986 -0.161 -42.289 1.00 0.00 N ATOM 816 CA LEU A 52 -0.206 0.648 -42.056 1.00 0.00 C ATOM 817 C LEU A 52 -0.246 1.843 -42.956 1.00 0.00 C ATOM 818 O LEU A 52 -1.313 2.391 -43.213 1.00 0.00 O ATOM 819 CB LEU A 52 -0.146 1.079 -40.605 1.00 0.00 C ATOM 820 CG LEU A 52 0.049 -0.104 -39.687 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.322 0.339 -38.294 1.00 0.00 C ATOM 822 CD2 LEU A 52 -1.159 -1.020 -39.757 1.00 0.00 C ATOM 0 H LEU A 52 1.831 0.215 -41.858 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.107 0.074 -42.270 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.671 1.787 -40.468 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.066 1.599 -40.340 1.00 0.00 H new ATOM 0 HG LEU A 52 0.922 -0.666 -40.020 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.458 -0.533 -37.655 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.227 0.947 -38.276 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.519 0.929 -37.928 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.010 -1.871 -39.092 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.050 -0.472 -39.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.286 -1.377 -40.779 1.00 0.00 H new ATOM 834 N ASN A 53 0.923 2.178 -43.499 1.00 0.00 N ATOM 835 CA ASN A 53 1.224 3.429 -44.291 1.00 0.00 C ATOM 836 C ASN A 53 0.466 3.564 -45.606 1.00 0.00 C ATOM 837 O ASN A 53 0.960 4.095 -46.595 1.00 0.00 O ATOM 838 CB ASN A 53 2.727 3.571 -44.524 1.00 0.00 C ATOM 839 CG ASN A 53 3.533 3.537 -43.242 1.00 0.00 C ATOM 840 OD1 ASN A 53 4.709 3.194 -43.248 1.00 0.00 O ATOM 841 ND2 ASN A 53 2.893 3.784 -42.125 1.00 0.00 N ATOM 0 H ASN A 53 1.741 1.576 -43.410 1.00 0.00 H new ATOM 0 HA ASN A 53 0.860 4.247 -43.669 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.064 2.768 -45.180 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.921 4.509 -45.043 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.374 3.692 -41.230 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.914 4.068 -42.150 1.00 0.00 H new ATOM 848 N GLU A 54 -0.711 3.149 -45.561 1.00 0.00 N ATOM 849 CA GLU A 54 -1.658 3.273 -46.601 1.00 0.00 C ATOM 850 C GLU A 54 -2.469 4.504 -46.324 1.00 0.00 C ATOM 851 O GLU A 54 -2.692 5.342 -47.189 1.00 0.00 O ATOM 852 CB GLU A 54 -2.613 2.104 -46.530 1.00 0.00 C ATOM 853 CG GLU A 54 -1.941 0.789 -46.648 1.00 0.00 C ATOM 854 CD GLU A 54 -1.437 0.521 -48.043 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.264 0.208 -48.937 1.00 0.00 O ATOM 856 OE2 GLU A 54 -0.214 0.614 -48.285 1.00 0.00 O ATOM 0 H GLU A 54 -1.087 2.674 -44.741 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.157 3.314 -47.568 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.155 2.144 -45.585 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.352 2.199 -47.325 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.105 0.748 -45.949 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.637 0.002 -46.359 1.00 0.00 H new ATOM 863 N ASN A 55 -2.829 4.627 -45.051 1.00 0.00 N ATOM 864 CA ASN A 55 -3.814 5.578 -44.591 1.00 0.00 C ATOM 865 C ASN A 55 -3.917 5.561 -43.057 1.00 0.00 C ATOM 866 O ASN A 55 -4.152 6.595 -42.417 1.00 0.00 O ATOM 867 CB ASN A 55 -5.149 5.188 -45.254 1.00 0.00 C ATOM 868 CG ASN A 55 -6.392 5.640 -44.555 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.905 4.787 -43.712 1.00 0.00 O flip ATOM 870 ND2 ASN A 55 -6.909 6.723 -44.802 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.434 4.056 -44.304 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.537 6.596 -44.866 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.159 5.592 -46.266 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.182 4.102 -45.344 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.470 7.357 -45.469 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.778 6.990 -44.340 1.00 0.00 H new ATOM 877 N SER A 56 -3.723 4.399 -42.480 1.00 0.00 N ATOM 878 CA SER A 56 -3.828 4.238 -41.056 1.00 0.00 C ATOM 879 C SER A 56 -2.459 4.012 -40.423 1.00 0.00 C ATOM 880 O SER A 56 -1.464 3.916 -41.112 1.00 0.00 O ATOM 881 CB SER A 56 -4.766 3.082 -40.767 1.00 0.00 C ATOM 882 OG SER A 56 -6.001 3.254 -41.469 1.00 0.00 O ATOM 0 H SER A 56 -3.489 3.544 -42.985 1.00 0.00 H new ATOM 0 HA SER A 56 -4.230 5.150 -40.616 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.299 2.143 -41.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.955 3.018 -39.695 1.00 0.00 H new ATOM 0 HG SER A 56 -5.915 3.994 -42.106 1.00 0.00 H new ATOM 888 N PHE A 57 -2.413 4.017 -39.116 1.00 0.00 N ATOM 889 CA PHE A 57 -1.201 3.789 -38.349 1.00 0.00 C ATOM 890 C PHE A 57 -1.618 3.121 -37.061 1.00 0.00 C ATOM 891 O PHE A 57 -2.803 3.073 -36.777 1.00 0.00 O ATOM 892 CB PHE A 57 -0.491 5.115 -38.035 1.00 0.00 C ATOM 893 CG PHE A 57 -0.183 5.945 -39.251 1.00 0.00 C ATOM 894 CD1 PHE A 57 0.976 5.735 -39.967 1.00 0.00 C ATOM 895 CD2 PHE A 57 -1.085 6.900 -39.703 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.238 6.463 -41.110 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.832 7.621 -40.849 1.00 0.00 C ATOM 898 CZ PHE A 57 0.334 7.401 -41.553 1.00 0.00 C ATOM 0 H PHE A 57 -3.234 4.183 -38.535 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.506 3.170 -38.916 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.115 5.698 -37.358 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.439 4.902 -37.508 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.686 4.994 -39.630 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.995 7.079 -39.150 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.154 6.296 -41.657 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.544 8.356 -41.195 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.537 7.965 -42.451 1.00 0.00 H new ATOM 908 N ALA A 58 -0.689 2.623 -36.288 1.00 0.00 N ATOM 909 CA ALA A 58 -1.034 1.931 -35.055 1.00 0.00 C ATOM 910 C ALA A 58 -0.212 2.430 -33.925 1.00 0.00 C ATOM 911 O ALA A 58 0.775 3.103 -34.139 1.00 0.00 O ATOM 912 CB ALA A 58 -0.864 0.429 -35.186 1.00 0.00 C ATOM 0 H ALA A 58 0.311 2.679 -36.481 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.085 2.138 -34.855 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.131 -0.051 -34.245 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.512 0.057 -35.980 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.174 0.200 -35.428 1.00 0.00 H new ATOM 918 N ILE A 59 -0.618 2.104 -32.733 1.00 0.00 N ATOM 919 CA ILE A 59 0.075 2.496 -31.552 1.00 0.00 C ATOM 920 C ILE A 59 -0.150 1.457 -30.441 1.00 0.00 C ATOM 921 O ILE A 59 -1.221 0.855 -30.355 1.00 0.00 O ATOM 922 CB ILE A 59 -0.377 3.909 -31.109 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.444 4.374 -29.927 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.878 3.940 -30.780 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.362 5.846 -29.698 1.00 0.00 C ATOM 0 H ILE A 59 -1.455 1.549 -32.557 1.00 0.00 H new ATOM 0 HA ILE A 59 1.144 2.540 -31.759 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.211 4.594 -31.940 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.106 3.854 -29.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.486 4.095 -30.084 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.162 4.946 -30.473 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.450 3.655 -31.663 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.088 3.241 -29.971 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.973 6.115 -28.836 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.727 6.372 -30.580 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.674 6.128 -29.510 1.00 0.00 H new ATOM 937 N THR A 60 0.854 1.245 -29.611 1.00 0.00 N ATOM 938 CA THR A 60 0.783 0.260 -28.539 1.00 0.00 C ATOM 939 C THR A 60 0.402 0.925 -27.194 1.00 0.00 C ATOM 940 O THR A 60 0.742 0.433 -26.120 1.00 0.00 O ATOM 941 CB THR A 60 2.140 -0.511 -28.398 1.00 0.00 C ATOM 942 OG1 THR A 60 1.988 -1.601 -27.461 1.00 0.00 O ATOM 943 CG2 THR A 60 3.263 0.411 -27.911 1.00 0.00 C ATOM 0 H THR A 60 1.741 1.747 -29.657 1.00 0.00 H new ATOM 0 HA THR A 60 0.003 -0.456 -28.800 1.00 0.00 H new ATOM 0 HB THR A 60 2.408 -0.893 -29.383 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.838 -2.081 -27.377 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.189 -0.158 -27.825 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.401 1.224 -28.624 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.999 0.823 -26.937 1.00 0.00 H new ATOM 951 N THR A 61 -0.374 1.960 -27.262 1.00 0.00 N ATOM 952 CA THR A 61 -0.723 2.698 -26.085 1.00 0.00 C ATOM 953 C THR A 61 -1.846 1.969 -25.309 1.00 0.00 C ATOM 954 O THR A 61 -2.479 1.042 -25.820 1.00 0.00 O ATOM 955 CB THR A 61 -1.179 4.127 -26.454 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.199 4.941 -25.284 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.573 4.107 -27.077 1.00 0.00 C ATOM 0 H THR A 61 -0.782 2.317 -28.126 1.00 0.00 H new ATOM 0 HA THR A 61 0.160 2.768 -25.450 1.00 0.00 H new ATOM 0 HB THR A 61 -0.476 4.536 -27.180 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.978 5.865 -25.524 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.874 5.124 -27.329 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.559 3.498 -27.981 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.283 3.684 -26.366 1.00 0.00 H new ATOM 965 N SER A 62 -2.070 2.376 -24.094 1.00 0.00 N ATOM 966 CA SER A 62 -3.098 1.804 -23.292 1.00 0.00 C ATOM 967 C SER A 62 -4.137 2.866 -22.915 1.00 0.00 C ATOM 968 O SER A 62 -5.115 2.573 -22.202 1.00 0.00 O ATOM 969 CB SER A 62 -2.492 1.153 -22.053 1.00 0.00 C ATOM 970 OG SER A 62 -3.486 0.542 -21.262 1.00 0.00 O ATOM 0 H SER A 62 -1.540 3.117 -23.635 1.00 0.00 H new ATOM 0 HA SER A 62 -3.609 1.031 -23.865 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.754 0.409 -22.354 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.966 1.904 -21.464 1.00 0.00 H new ATOM 0 HG SER A 62 -4.339 1.006 -21.393 1.00 0.00 H new ATOM 976 N LEU A 63 -3.925 4.089 -23.377 1.00 0.00 N ATOM 977 CA LEU A 63 -4.877 5.156 -23.151 1.00 0.00 C ATOM 978 C LEU A 63 -6.082 4.996 -24.050 1.00 0.00 C ATOM 979 O LEU A 63 -6.126 4.093 -24.894 1.00 0.00 O ATOM 980 CB LEU A 63 -4.223 6.558 -23.240 1.00 0.00 C ATOM 981 CG LEU A 63 -3.325 6.852 -24.434 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.089 7.150 -25.676 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.305 7.929 -24.122 1.00 0.00 C ATOM 0 H LEU A 63 -3.100 4.363 -23.911 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.236 5.077 -22.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.021 7.300 -23.231 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.636 6.711 -22.335 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.774 5.933 -24.633 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.394 7.351 -26.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.713 6.294 -25.934 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.721 8.023 -25.514 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.685 8.108 -25.000 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.820 8.850 -23.848 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.675 7.605 -23.293 1.00 0.00 H new ATOM 995 N ALA A 64 -7.044 5.837 -23.889 1.00 0.00 N ATOM 996 CA ALA A 64 -8.265 5.659 -24.611 1.00 0.00 C ATOM 997 C ALA A 64 -8.248 6.359 -25.956 1.00 0.00 C ATOM 998 O ALA A 64 -7.366 7.163 -26.231 1.00 0.00 O ATOM 999 CB ALA A 64 -9.449 6.078 -23.781 1.00 0.00 C ATOM 0 H ALA A 64 -7.015 6.648 -23.272 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.362 4.594 -24.820 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.365 5.932 -24.354 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.489 5.475 -22.874 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.352 7.130 -23.514 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.242 6.063 -26.772 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.366 6.613 -28.116 1.00 0.00 C ATOM 1007 C ALA A 65 -9.380 8.131 -28.112 1.00 0.00 C ATOM 1008 O ALA A 65 -8.622 8.771 -28.850 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.607 6.060 -28.798 1.00 0.00 C ATOM 0 H ALA A 65 -9.998 5.426 -26.520 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.486 6.306 -28.682 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.688 6.479 -29.801 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.533 4.974 -28.863 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.491 6.330 -28.220 1.00 0.00 H new ATOM 1015 N SER A 66 -10.166 8.698 -27.231 1.00 0.00 N ATOM 1016 CA SER A 66 -10.285 10.134 -27.142 1.00 0.00 C ATOM 1017 C SER A 66 -9.024 10.757 -26.519 1.00 0.00 C ATOM 1018 O SER A 66 -8.825 11.972 -26.569 1.00 0.00 O ATOM 1019 CB SER A 66 -11.547 10.493 -26.370 1.00 0.00 C ATOM 1020 OG SER A 66 -12.676 9.881 -26.983 1.00 0.00 O ATOM 0 H SER A 66 -10.737 8.184 -26.560 1.00 0.00 H new ATOM 0 HA SER A 66 -10.371 10.551 -28.145 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.459 10.161 -25.336 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.676 11.575 -26.348 1.00 0.00 H new ATOM 0 HG SER A 66 -13.486 10.113 -26.482 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.152 9.911 -25.996 1.00 0.00 N ATOM 1027 CA GLU A 67 -6.909 10.359 -25.445 1.00 0.00 C ATOM 1028 C GLU A 67 -5.907 10.437 -26.576 1.00 0.00 C ATOM 1029 O GLU A 67 -5.228 11.443 -26.727 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.402 9.406 -24.365 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.266 9.303 -23.130 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.279 10.571 -22.329 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.260 10.894 -21.716 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.323 11.236 -22.270 1.00 0.00 O ATOM 0 H GLU A 67 -8.296 8.902 -25.947 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.048 11.334 -24.977 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.301 8.412 -24.801 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.404 9.724 -24.063 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.285 9.053 -23.424 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.905 8.486 -22.505 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.854 9.367 -27.412 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.931 9.329 -28.564 1.00 0.00 C ATOM 1043 C ILE A 68 -5.219 10.505 -29.451 1.00 0.00 C ATOM 1044 O ILE A 68 -4.314 11.222 -29.868 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.085 8.076 -29.470 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.556 6.851 -28.700 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.773 7.797 -30.174 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.436 5.541 -29.430 1.00 0.00 C ATOM 0 H ILE A 68 -6.433 8.534 -27.308 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.930 9.326 -28.133 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.859 8.292 -30.207 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.985 6.784 -27.774 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.600 6.998 -28.422 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.881 6.918 -30.810 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.499 8.656 -30.786 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.994 7.616 -29.433 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.798 4.735 -28.792 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.031 5.577 -30.343 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.392 5.361 -29.685 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.497 10.682 -29.727 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.989 11.742 -30.528 1.00 0.00 C ATOM 1062 C GLU A 69 -6.478 13.085 -30.043 1.00 0.00 C ATOM 1063 O GLU A 69 -5.873 13.828 -30.806 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.490 11.723 -30.473 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.108 11.712 -31.814 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.599 11.690 -31.768 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.177 10.648 -31.434 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.227 12.714 -32.092 1.00 0.00 O ATOM 0 H GLU A 69 -7.229 10.062 -29.380 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.639 11.604 -31.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.818 10.844 -29.919 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.841 12.596 -29.923 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.780 12.592 -32.367 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.754 10.840 -32.364 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.661 13.356 -28.758 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.298 14.649 -28.182 1.00 0.00 C ATOM 1077 C ASP A 70 -4.792 14.856 -28.182 1.00 0.00 C ATOM 1078 O ASP A 70 -4.308 15.992 -28.355 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.875 14.815 -26.789 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.702 16.219 -26.262 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -7.342 17.161 -26.805 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.989 16.415 -25.282 1.00 0.00 O ATOM 0 H ASP A 70 -7.060 12.696 -28.090 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.735 15.421 -28.815 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.935 14.563 -26.805 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.390 14.112 -26.111 1.00 0.00 H new ATOM 1087 N LEU A 71 -4.060 13.756 -28.020 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.610 13.758 -28.138 1.00 0.00 C ATOM 1089 C LEU A 71 -2.220 14.276 -29.511 1.00 0.00 C ATOM 1090 O LEU A 71 -1.438 15.211 -29.640 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.056 12.331 -27.965 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.379 11.983 -26.638 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.348 12.079 -25.473 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.773 10.595 -26.727 1.00 0.00 C ATOM 0 H LEU A 71 -4.457 12.842 -27.804 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.194 14.399 -27.361 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.879 11.632 -28.114 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.337 12.152 -28.764 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.587 12.709 -26.453 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.831 11.825 -24.548 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.735 13.096 -25.405 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.174 11.386 -25.629 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.291 10.347 -25.781 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.558 9.868 -26.935 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.034 10.571 -27.528 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.824 13.696 -30.529 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.551 14.055 -31.900 1.00 0.00 C ATOM 1108 C ILE A 72 -2.986 15.503 -32.185 1.00 0.00 C ATOM 1109 O ILE A 72 -2.270 16.250 -32.862 1.00 0.00 O ATOM 1110 CB ILE A 72 -3.266 13.069 -32.852 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.698 11.667 -32.638 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -3.107 13.492 -34.314 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.623 10.572 -33.060 1.00 0.00 C ATOM 0 H ILE A 72 -3.521 12.959 -30.424 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.476 13.992 -32.071 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.332 13.073 -32.625 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.764 11.575 -33.192 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.457 11.540 -31.583 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.621 12.778 -34.957 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.538 14.483 -34.455 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.048 13.517 -34.573 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.151 9.607 -32.878 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.549 10.637 -32.488 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.845 10.673 -34.122 1.00 0.00 H new ATOM 1125 N ARG A 73 -4.130 15.904 -31.609 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.683 17.252 -31.798 1.00 0.00 C ATOM 1127 C ARG A 73 -3.668 18.324 -31.437 1.00 0.00 C ATOM 1128 O ARG A 73 -3.450 19.270 -32.193 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.926 17.485 -30.946 1.00 0.00 C ATOM 1130 CG ARG A 73 -7.053 16.526 -31.198 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.671 16.623 -32.573 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.829 15.732 -32.672 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.627 15.614 -33.733 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -9.441 16.378 -34.805 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -10.601 14.721 -33.731 1.00 0.00 N ATOM 0 H ARG A 73 -4.693 15.307 -31.004 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.945 17.320 -32.854 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.645 17.424 -29.895 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.285 18.499 -31.122 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.687 15.510 -31.050 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.830 16.696 -30.453 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.976 17.651 -32.771 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.933 16.358 -33.331 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.043 15.153 -31.860 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.683 17.061 -34.820 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.056 16.282 -35.613 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.742 14.122 -32.918 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.212 14.631 -34.543 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.005 18.145 -30.300 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.072 19.147 -29.816 1.00 0.00 C ATOM 1151 C LEU A 74 -0.719 19.082 -30.530 1.00 0.00 C ATOM 1152 O LEU A 74 0.071 20.008 -30.447 1.00 0.00 O ATOM 1153 CB LEU A 74 -1.959 19.137 -28.267 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.388 17.888 -27.596 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.113 17.983 -27.491 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.012 17.675 -26.227 1.00 0.00 C ATOM 0 H LEU A 74 -3.097 17.323 -29.704 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.486 20.121 -30.077 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.342 19.986 -27.972 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.955 19.309 -27.859 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.634 17.026 -28.216 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.502 17.085 -27.011 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.542 18.076 -28.489 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.382 18.857 -26.898 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.590 16.780 -25.770 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.805 18.538 -25.594 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.090 17.554 -26.333 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.463 18.002 -31.265 1.00 0.00 N ATOM 1169 CA LYS A 75 0.756 17.934 -32.062 1.00 0.00 C ATOM 1170 C LYS A 75 0.532 18.573 -33.417 1.00 0.00 C ATOM 1171 O LYS A 75 1.464 18.814 -34.169 1.00 0.00 O ATOM 1172 CB LYS A 75 1.361 16.513 -32.200 1.00 0.00 C ATOM 1173 CG LYS A 75 2.288 16.091 -31.046 1.00 0.00 C ATOM 1174 CD LYS A 75 1.550 15.771 -29.771 1.00 0.00 C ATOM 1175 CE LYS A 75 2.497 15.628 -28.578 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.572 14.650 -28.810 1.00 0.00 N ATOM 0 H LYS A 75 -1.067 17.182 -31.325 1.00 0.00 H new ATOM 0 HA LYS A 75 1.506 18.500 -31.510 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.547 15.792 -32.275 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.920 16.461 -33.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.863 15.218 -31.353 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.002 16.891 -30.852 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.825 16.558 -29.565 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.988 14.846 -29.900 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.939 16.599 -28.354 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.924 15.328 -27.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.109 14.509 -27.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.159 13.745 -29.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.210 15.004 -29.551 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.713 18.889 -33.703 1.00 0.00 N ATOM 1191 CA CYS A 76 -1.060 19.575 -34.922 1.00 0.00 C ATOM 1192 C CYS A 76 -0.704 21.051 -34.786 1.00 0.00 C ATOM 1193 O CYS A 76 -0.622 21.776 -35.762 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.540 19.396 -35.221 1.00 0.00 C ATOM 1195 SG CYS A 76 -3.131 20.187 -36.731 1.00 0.00 S ATOM 0 H CYS A 76 -1.507 18.678 -33.098 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.497 19.153 -35.755 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.753 18.329 -35.284 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.112 19.787 -34.380 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.403 19.958 -36.871 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.463 21.472 -33.557 1.00 0.00 N ATOM 1202 CA LEU A 77 -0.047 22.832 -33.269 1.00 0.00 C ATOM 1203 C LEU A 77 1.422 23.016 -33.666 1.00 0.00 C ATOM 1204 O LEU A 77 1.921 24.132 -33.752 1.00 0.00 O ATOM 1205 CB LEU A 77 -0.222 23.125 -31.775 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.622 22.881 -31.197 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.645 23.169 -29.713 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.663 23.719 -31.915 1.00 0.00 C ATOM 0 H LEU A 77 -0.550 20.880 -32.731 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.664 23.525 -33.842 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.489 22.513 -31.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.046 24.166 -31.596 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.868 21.830 -31.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.647 22.990 -29.323 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.936 22.516 -29.205 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.369 24.209 -29.540 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.646 23.526 -31.485 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.419 24.776 -31.804 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.673 23.459 -32.973 1.00 0.00 H new ATOM 1220 N ASP A 78 2.103 21.900 -33.900 1.00 0.00 N ATOM 1221 CA ASP A 78 3.512 21.909 -34.300 1.00 0.00 C ATOM 1222 C ASP A 78 3.603 22.094 -35.780 1.00 0.00 C ATOM 1223 O ASP A 78 4.386 22.903 -36.282 1.00 0.00 O ATOM 1224 CB ASP A 78 4.166 20.579 -33.965 1.00 0.00 C ATOM 1225 CG ASP A 78 5.678 20.592 -34.173 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.403 21.102 -33.296 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.168 20.068 -35.194 1.00 0.00 O ATOM 0 H ASP A 78 1.700 20.966 -33.819 1.00 0.00 H new ATOM 0 HA ASP A 78 4.014 22.718 -33.770 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.949 20.324 -32.928 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.726 19.797 -34.584 1.00 0.00 H new ATOM 1232 N LEU A 79 2.792 21.336 -36.473 1.00 0.00 N ATOM 1233 CA LEU A 79 2.770 21.349 -37.935 1.00 0.00 C ATOM 1234 C LEU A 79 2.227 22.692 -38.451 1.00 0.00 C ATOM 1235 O LEU A 79 1.596 23.427 -37.686 1.00 0.00 O ATOM 1236 CB LEU A 79 1.954 20.129 -38.463 1.00 0.00 C ATOM 1237 CG LEU A 79 0.455 20.053 -38.110 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -0.396 20.955 -38.982 1.00 0.00 C ATOM 1239 CD2 LEU A 79 -0.041 18.631 -38.152 1.00 0.00 C ATOM 0 H LEU A 79 2.125 20.689 -36.052 1.00 0.00 H new ATOM 0 HA LEU A 79 3.785 21.252 -38.319 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.042 20.113 -39.549 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.431 19.222 -38.091 1.00 0.00 H new ATOM 0 HG LEU A 79 0.355 20.421 -37.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.442 20.862 -38.690 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.075 21.989 -38.858 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.283 20.663 -40.026 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.101 18.608 -37.899 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.102 18.225 -39.154 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.517 18.030 -37.434 1.00 0.00 H new ATOM 1251 N PRO A 80 2.516 23.056 -39.720 1.00 0.00 N ATOM 1252 CA PRO A 80 1.996 24.286 -40.320 1.00 0.00 C ATOM 1253 C PRO A 80 0.453 24.332 -40.328 1.00 0.00 C ATOM 1254 O PRO A 80 -0.154 25.040 -39.511 1.00 0.00 O ATOM 1255 CB PRO A 80 2.557 24.293 -41.750 1.00 0.00 C ATOM 1256 CG PRO A 80 3.173 22.948 -41.970 1.00 0.00 C ATOM 1257 CD PRO A 80 3.426 22.339 -40.623 1.00 0.00 C ATOM 0 HA PRO A 80 2.300 25.162 -39.748 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.766 24.481 -42.476 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.297 25.084 -41.873 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.509 22.314 -42.558 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.104 23.040 -42.529 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.221 21.269 -40.626 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.466 22.463 -40.320 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.176 23.559 -41.222 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.644 23.475 -41.290 1.00 0.00 C ATOM 1267 C ASP A 81 -2.105 22.413 -42.266 1.00 0.00 C ATOM 1268 O ASP A 81 -1.681 22.383 -43.423 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.304 24.826 -41.636 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.808 24.720 -41.821 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.503 24.199 -40.929 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.320 25.155 -42.870 1.00 0.00 O ATOM 0 H ASP A 81 0.307 22.981 -41.910 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.967 23.193 -40.288 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.090 25.542 -40.843 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.858 25.219 -42.549 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.951 21.548 -41.781 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.567 20.510 -42.541 1.00 0.00 C ATOM 1279 C ILE A 82 -4.904 20.225 -41.933 1.00 0.00 C ATOM 1280 O ILE A 82 -5.008 20.006 -40.730 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.724 19.184 -42.636 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.579 18.022 -43.186 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.088 18.813 -41.309 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.824 16.724 -43.346 1.00 0.00 C ATOM 0 H ILE A 82 -3.239 21.552 -40.802 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.653 20.866 -43.567 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.911 19.372 -43.338 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.424 17.858 -42.517 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.989 18.313 -44.153 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.517 17.892 -41.424 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.423 19.615 -40.988 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.867 18.666 -40.561 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.495 15.959 -43.737 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.995 16.868 -44.039 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.436 16.407 -42.378 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.918 20.328 -42.723 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.237 19.956 -42.280 1.00 0.00 C ATOM 1298 C ASP A 83 -7.401 18.468 -42.465 1.00 0.00 C ATOM 1299 O ASP A 83 -7.630 17.982 -43.577 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.334 20.712 -43.035 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.728 20.320 -42.563 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.145 20.766 -41.475 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.424 19.566 -43.267 1.00 0.00 O ATOM 0 H ASP A 83 -5.868 20.667 -43.684 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.340 20.223 -41.228 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.194 21.784 -42.899 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.243 20.511 -44.103 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.198 17.744 -41.416 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.321 16.318 -41.457 1.00 0.00 C ATOM 1310 C PHE A 84 -8.423 15.896 -40.530 1.00 0.00 C ATOM 1311 O PHE A 84 -8.985 16.718 -39.807 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.991 15.617 -41.067 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.506 15.883 -39.654 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.668 16.943 -39.390 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.881 15.058 -38.599 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.209 17.187 -38.113 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -5.428 15.297 -37.316 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.590 16.364 -37.074 1.00 0.00 C ATOM 0 H PHE A 84 -6.942 18.120 -40.503 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.557 16.018 -42.478 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -6.116 14.542 -41.194 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.215 15.932 -41.765 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.365 17.594 -40.197 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.535 14.219 -38.785 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.551 18.023 -37.926 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.729 14.650 -36.506 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.232 16.555 -36.073 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.747 14.659 -40.570 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.709 14.097 -39.670 1.00 0.00 C ATOM 1330 C ASP A 85 -9.288 12.682 -39.402 1.00 0.00 C ATOM 1331 O ASP A 85 -9.018 11.949 -40.327 1.00 0.00 O ATOM 1332 CB ASP A 85 -11.103 14.149 -40.292 1.00 0.00 C ATOM 1333 CG ASP A 85 -12.169 13.630 -39.376 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.479 14.293 -38.370 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.730 12.551 -39.645 1.00 0.00 O ATOM 0 H ASP A 85 -8.353 13.991 -41.233 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.752 14.659 -38.737 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.335 15.178 -40.565 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.107 13.566 -41.213 1.00 0.00 H new ATOM 1340 N LEU A 86 -9.153 12.304 -38.168 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.690 10.966 -37.877 1.00 0.00 C ATOM 1342 C LEU A 86 -9.805 10.135 -37.284 1.00 0.00 C ATOM 1343 O LEU A 86 -10.887 10.641 -36.994 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.481 10.954 -36.914 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.781 11.266 -35.433 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.623 10.922 -34.552 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -8.173 12.705 -35.221 1.00 0.00 C ATOM 0 H LEU A 86 -9.351 12.885 -37.353 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.369 10.537 -38.826 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.011 9.972 -36.968 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.750 11.678 -37.274 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.630 10.640 -35.158 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.872 11.156 -33.517 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.401 9.858 -34.641 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.751 11.501 -34.855 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.374 12.875 -34.163 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.360 13.355 -35.545 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.069 12.927 -35.801 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.557 8.872 -37.159 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.446 7.972 -36.518 1.00 0.00 C ATOM 1361 C ASN A 87 -9.635 6.959 -35.759 1.00 0.00 C ATOM 1362 O ASN A 87 -8.817 6.244 -36.362 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.338 7.269 -37.541 1.00 0.00 C ATOM 1364 CG ASN A 87 -12.191 6.192 -36.908 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.706 4.986 -36.926 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -13.290 6.447 -36.420 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.707 8.431 -37.511 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.091 8.525 -35.835 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.982 8.003 -38.025 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.717 6.827 -38.320 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.639 7.405 -36.423 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.852 5.700 -36.012 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.798 6.933 -34.473 1.00 0.00 N ATOM 1374 CA ILE A 88 -9.157 5.949 -33.647 1.00 0.00 C ATOM 1375 C ILE A 88 -10.039 4.714 -33.562 1.00 0.00 C ATOM 1376 O ILE A 88 -11.240 4.811 -33.345 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.896 6.462 -32.217 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.962 7.683 -32.217 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.299 5.336 -31.374 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.588 7.392 -32.756 1.00 0.00 C ATOM 0 H ILE A 88 -10.381 7.595 -33.961 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.195 5.718 -34.105 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.846 6.778 -31.786 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.415 8.476 -32.811 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.871 8.060 -31.198 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.114 5.698 -30.363 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.997 4.499 -31.338 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.360 5.007 -31.819 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.985 8.300 -32.725 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.114 6.621 -32.148 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.667 7.044 -33.786 1.00 0.00 H new ATOM 1392 N MET A 89 -9.445 3.588 -33.751 1.00 0.00 N ATOM 1393 CA MET A 89 -10.108 2.325 -33.649 1.00 0.00 C ATOM 1394 C MET A 89 -9.083 1.362 -33.095 1.00 0.00 C ATOM 1395 O MET A 89 -7.902 1.675 -33.109 1.00 0.00 O ATOM 1396 CB MET A 89 -10.599 1.839 -35.035 1.00 0.00 C ATOM 1397 CG MET A 89 -9.490 1.342 -35.962 1.00 0.00 C ATOM 1398 SD MET A 89 -10.086 0.840 -37.593 1.00 0.00 S ATOM 1399 CE MET A 89 -10.390 2.405 -38.365 1.00 0.00 C ATOM 0 H MET A 89 -8.456 3.513 -33.988 1.00 0.00 H new ATOM 0 HA MET A 89 -10.988 2.397 -33.009 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.321 1.035 -34.889 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.127 2.656 -35.526 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.747 2.130 -36.082 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.986 0.498 -35.492 1.00 0.00 H new ATOM 0 HE1 MET A 89 -10.221 2.320 -39.438 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.422 2.706 -38.183 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.715 3.153 -37.950 1.00 0.00 H new ATOM 1409 N THR A 90 -9.489 0.252 -32.574 1.00 0.00 N ATOM 1410 CA THR A 90 -8.519 -0.737 -32.163 1.00 0.00 C ATOM 1411 C THR A 90 -7.955 -1.427 -33.388 1.00 0.00 C ATOM 1412 O THR A 90 -8.554 -1.376 -34.468 1.00 0.00 O ATOM 1413 CB THR A 90 -9.111 -1.799 -31.205 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.149 -2.562 -31.844 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.660 -1.143 -29.976 1.00 0.00 C ATOM 0 H THR A 90 -10.465 -0.001 -32.420 1.00 0.00 H new ATOM 0 HA THR A 90 -7.735 -0.211 -31.618 1.00 0.00 H new ATOM 0 HB THR A 90 -8.304 -2.477 -30.928 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.009 -2.108 -31.725 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.073 -1.902 -29.312 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.862 -0.607 -29.462 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.445 -0.442 -30.258 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.813 -2.038 -33.238 1.00 0.00 N ATOM 1424 CA VAL A 91 -6.212 -2.826 -34.299 1.00 0.00 C ATOM 1425 C VAL A 91 -7.181 -3.944 -34.722 1.00 0.00 C ATOM 1426 O VAL A 91 -7.352 -4.238 -35.918 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.868 -3.419 -33.823 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -4.326 -4.476 -34.772 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.846 -2.328 -33.659 1.00 0.00 C ATOM 0 H VAL A 91 -6.265 -2.009 -32.378 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.017 -2.186 -35.160 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.061 -3.901 -32.865 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.380 -4.859 -34.389 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.042 -5.294 -34.853 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.167 -4.034 -35.756 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.903 -2.760 -33.323 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.695 -1.825 -34.614 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.198 -1.607 -32.921 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.857 -4.497 -33.739 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.855 -5.537 -33.946 1.00 0.00 C ATOM 1441 C ASP A 92 -10.063 -4.998 -34.747 1.00 0.00 C ATOM 1442 O ASP A 92 -10.666 -5.714 -35.548 1.00 0.00 O ATOM 1443 CB ASP A 92 -9.276 -6.094 -32.589 1.00 0.00 C ATOM 1444 CG ASP A 92 -10.410 -7.081 -32.648 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -10.198 -8.236 -33.068 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -11.535 -6.726 -32.219 1.00 0.00 O ATOM 0 H ASP A 92 -7.732 -4.238 -32.760 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.425 -6.344 -34.540 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.415 -6.575 -32.124 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.565 -5.265 -31.943 1.00 0.00 H new ATOM 1451 N ASP A 93 -10.380 -3.719 -34.557 1.00 0.00 N ATOM 1452 CA ASP A 93 -11.463 -3.038 -35.319 1.00 0.00 C ATOM 1453 C ASP A 93 -10.978 -2.640 -36.692 1.00 0.00 C ATOM 1454 O ASP A 93 -11.764 -2.316 -37.581 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.985 -1.757 -34.624 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.888 -1.972 -33.432 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -14.020 -2.474 -33.603 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -12.500 -1.582 -32.303 1.00 0.00 O ATOM 0 H ASP A 93 -9.908 -3.118 -33.882 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.276 -3.762 -35.377 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.127 -1.166 -34.303 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.524 -1.162 -35.361 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.698 -2.668 -36.867 1.00 0.00 N ATOM 1464 CA TYR A 94 -9.086 -2.234 -38.080 1.00 0.00 C ATOM 1465 C TYR A 94 -8.935 -3.344 -39.072 1.00 0.00 C ATOM 1466 O TYR A 94 -9.495 -3.280 -40.165 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.753 -1.583 -37.777 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.899 -1.251 -38.978 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -7.221 -0.197 -39.818 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.747 -1.981 -39.250 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.415 0.113 -40.897 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.947 -1.677 -40.326 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.282 -0.632 -41.145 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.477 -0.322 -42.217 1.00 0.00 O ATOM 0 H TYR A 94 -9.039 -2.997 -36.162 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.745 -1.499 -38.542 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.936 -0.665 -37.219 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.186 -2.245 -37.123 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.109 0.387 -39.628 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.476 -2.803 -38.604 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.672 0.938 -41.545 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.059 -2.259 -40.524 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.720 -0.944 -42.248 1.00 0.00 H new ATOM 1484 N PHE A 95 -8.213 -4.372 -38.691 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.915 -5.482 -39.596 1.00 0.00 C ATOM 1486 C PHE A 95 -9.132 -6.249 -40.038 1.00 0.00 C ATOM 1487 O PHE A 95 -9.103 -6.959 -41.007 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.862 -6.404 -39.043 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.477 -5.863 -39.194 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.943 -5.672 -40.457 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.711 -5.524 -38.093 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.681 -5.159 -40.617 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -3.443 -5.007 -38.253 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.930 -4.826 -39.512 1.00 0.00 C ATOM 0 H PHE A 95 -7.815 -4.472 -37.757 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.510 -5.012 -40.492 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.063 -6.585 -37.987 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.928 -7.367 -39.549 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.528 -5.930 -41.328 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -5.110 -5.666 -37.099 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.277 -5.016 -41.608 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.854 -4.745 -37.387 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.936 -4.422 -39.637 1.00 0.00 H new ATOM 1504 N ARG A 96 -10.196 -6.079 -39.332 1.00 0.00 N ATOM 1505 CA ARG A 96 -11.451 -6.675 -39.711 1.00 0.00 C ATOM 1506 C ARG A 96 -11.977 -6.058 -41.043 1.00 0.00 C ATOM 1507 O ARG A 96 -12.849 -6.614 -41.699 1.00 0.00 O ATOM 1508 CB ARG A 96 -12.468 -6.596 -38.535 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.957 -5.209 -38.126 1.00 0.00 C ATOM 1510 CD ARG A 96 -14.062 -4.688 -39.033 1.00 0.00 C ATOM 1511 NE ARG A 96 -15.194 -5.623 -39.118 1.00 0.00 N ATOM 1512 CZ ARG A 96 -16.115 -5.629 -40.100 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -16.127 -4.663 -41.017 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -17.041 -6.570 -40.124 1.00 0.00 N ATOM 0 H ARG A 96 -10.231 -5.526 -38.476 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.304 -7.736 -39.914 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.338 -7.196 -38.801 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.012 -7.064 -37.663 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.321 -5.244 -37.099 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.119 -4.512 -38.143 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.414 -3.726 -38.660 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.660 -4.515 -40.031 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.288 -6.319 -38.378 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.436 -3.914 -40.977 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.827 -4.673 -41.759 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.057 -7.289 -39.400 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.741 -6.578 -40.866 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.420 -4.898 -41.415 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.787 -4.202 -42.655 1.00 0.00 C ATOM 1530 C GLN A 97 -10.686 -4.405 -43.705 1.00 0.00 C ATOM 1531 O GLN A 97 -10.939 -4.399 -44.915 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.859 -2.701 -42.398 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.594 -2.292 -41.156 1.00 0.00 C ATOM 1534 CD GLN A 97 -12.432 -0.825 -40.876 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -11.362 -0.519 -40.220 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -13.230 0.017 -41.289 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.706 -4.418 -40.868 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.744 -4.596 -42.997 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.843 -2.311 -42.343 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.337 -2.226 -43.255 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.653 -2.528 -41.265 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.225 -2.868 -40.308 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.061 -0.277 -41.802 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.060 1.008 -41.118 1.00 0.00 H new