USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=31 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 -150:sc= 0 USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= 0 F(o=-0.24,f=0.88) USER MOD Set 1.3: A 56 SER OG : rot 168:sc= 0.712 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 F(o=-0.019,f=0.88) USER MOD Set 1.5: A 89 MET CE :methyl 147:sc=-0.00433 (180deg=-0.205) USER MOD Set 1.6: A 94 TYR OH : rot 180:sc= 0.174 USER MOD Set 2.1: A 51 GLN : amide:sc= -1.16 X(o=-2.7,f=-2.4) USER MOD Set 2.2: A 53 ASN : amide:sc= -1.5 K(o=-2.7,f=-3.8!) USER MOD Set 3.1: A 34 TYR OH : rot 99:sc= 1.34 USER MOD Set 3.2: A 40 SER OG : rot -43:sc= 1.45 USER MOD Set 4.1: A 23 SER OG : rot -90:sc= 0.328 USER MOD Set 4.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.105 F(o=-2!,f=-0.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 12 TYR OH : rot -144:sc= 0.368 USER MOD Single : A 18 TYR OH : rot -100:sc= 0.912 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 31 SER OG : rot 91:sc= 1.21 USER MOD Single : A 33 MET CE :methyl -163:sc= -1.72 (180deg=-2.49) USER MOD Single : A 36 MET CE :methyl 175:sc= -0.765 (180deg=-0.77) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-1.1,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 -52:sc= 0.213 USER MOD Single : A 61 THR OG1 : rot 150:sc= -2.13! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= 1.42 (180deg=0.85) USER MOD Single : A 76 CYS SG : rot -179:sc= -2.29 USER MOD Single : A 90 THR OG1 : rot 134:sc= 1.13 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.0994 F(o=-2!,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -1.143 -2.810 -22.074 1.00 0.00 N ATOM 123 CA PHE A 9 -0.896 -2.080 -23.282 1.00 0.00 C ATOM 124 C PHE A 9 -1.665 -2.706 -24.404 1.00 0.00 C ATOM 125 O PHE A 9 -1.543 -3.900 -24.686 1.00 0.00 O ATOM 126 CB PHE A 9 0.609 -1.910 -23.566 1.00 0.00 C ATOM 127 CG PHE A 9 1.246 -0.851 -22.682 1.00 0.00 C ATOM 128 CD1 PHE A 9 1.393 -1.043 -21.318 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.692 0.342 -23.228 1.00 0.00 C ATOM 130 CE1 PHE A 9 1.962 -0.070 -20.520 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.263 1.317 -22.437 1.00 0.00 C ATOM 132 CZ PHE A 9 2.399 1.110 -21.082 1.00 0.00 C ATOM 0 HA PHE A 9 -1.259 -1.059 -23.169 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.116 -2.863 -23.411 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.751 -1.640 -24.612 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.058 -1.968 -20.872 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.591 0.511 -24.290 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.064 -0.234 -19.457 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.603 2.242 -22.879 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.847 1.871 -20.461 1.00 0.00 H new ATOM 142 N ASN A 10 -2.519 -1.921 -24.976 1.00 0.00 N ATOM 143 CA ASN A 10 -3.416 -2.368 -26.017 1.00 0.00 C ATOM 144 C ASN A 10 -2.700 -2.220 -27.332 1.00 0.00 C ATOM 145 O ASN A 10 -1.505 -1.954 -27.359 1.00 0.00 O ATOM 146 CB ASN A 10 -4.693 -1.498 -26.036 1.00 0.00 C ATOM 147 CG ASN A 10 -5.617 -1.595 -24.828 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.065 -1.724 -23.674 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -6.828 -1.481 -24.947 1.00 0.00 N flip ATOM 0 H ASN A 10 -2.623 -0.935 -24.737 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.704 -3.404 -25.840 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.391 -0.457 -26.148 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.268 -1.761 -26.924 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.242 -1.380 -25.874 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.425 -1.487 -24.120 1.00 0.00 H new ATOM 156 N THR A 11 -3.382 -2.416 -28.398 1.00 0.00 N ATOM 157 CA THR A 11 -2.809 -2.190 -29.658 1.00 0.00 C ATOM 158 C THR A 11 -3.883 -1.620 -30.597 1.00 0.00 C ATOM 159 O THR A 11 -4.919 -2.238 -30.880 1.00 0.00 O ATOM 160 CB THR A 11 -2.060 -3.461 -30.182 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.273 -3.178 -31.354 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.994 -4.629 -30.454 1.00 0.00 C ATOM 0 H THR A 11 -4.350 -2.737 -28.416 1.00 0.00 H new ATOM 0 HA THR A 11 -2.023 -1.438 -29.599 1.00 0.00 H new ATOM 0 HB THR A 11 -1.390 -3.755 -29.374 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.820 -3.995 -31.649 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.417 -5.480 -30.815 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.510 -4.904 -29.534 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.726 -4.341 -31.208 1.00 0.00 H new ATOM 170 N TYR A 12 -3.665 -0.409 -31.002 1.00 0.00 N ATOM 171 CA TYR A 12 -4.606 0.324 -31.796 1.00 0.00 C ATOM 172 C TYR A 12 -4.064 0.623 -33.146 1.00 0.00 C ATOM 173 O TYR A 12 -2.878 0.548 -33.369 1.00 0.00 O ATOM 174 CB TYR A 12 -4.952 1.640 -31.141 1.00 0.00 C ATOM 175 CG TYR A 12 -5.719 1.553 -29.863 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.107 1.559 -29.862 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.060 1.522 -28.652 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.809 1.528 -28.674 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.746 1.504 -27.473 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.116 1.507 -27.481 1.00 0.00 C ATOM 181 OH TYR A 12 -7.794 1.519 -26.287 1.00 0.00 O ATOM 0 H TYR A 12 -2.813 0.110 -30.788 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.493 -0.304 -31.884 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.026 2.183 -30.950 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.530 2.235 -31.849 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.643 1.588 -30.799 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.980 1.512 -28.637 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.889 1.520 -28.678 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.210 1.487 -26.535 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.296 2.053 -25.633 1.00 0.00 H new ATOM 191 N VAL A 13 -4.945 0.988 -34.004 1.00 0.00 N ATOM 192 CA VAL A 13 -4.664 1.391 -35.347 1.00 0.00 C ATOM 193 C VAL A 13 -5.354 2.714 -35.630 1.00 0.00 C ATOM 194 O VAL A 13 -6.518 2.907 -35.288 1.00 0.00 O ATOM 195 CB VAL A 13 -5.113 0.313 -36.385 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.217 0.895 -37.777 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.105 -0.796 -36.430 1.00 0.00 C ATOM 0 H VAL A 13 -5.940 1.018 -33.782 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.585 1.507 -35.449 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.090 -0.055 -36.071 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.531 0.118 -38.474 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.949 1.703 -37.780 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.246 1.284 -38.082 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.421 -1.546 -37.155 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.135 -0.394 -36.723 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.025 -1.255 -35.445 1.00 0.00 H new ATOM 207 N VAL A 14 -4.646 3.610 -36.228 1.00 0.00 N ATOM 208 CA VAL A 14 -5.197 4.859 -36.609 1.00 0.00 C ATOM 209 C VAL A 14 -5.271 4.913 -38.108 1.00 0.00 C ATOM 210 O VAL A 14 -4.377 4.454 -38.798 1.00 0.00 O ATOM 211 CB VAL A 14 -4.413 6.068 -36.038 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.946 6.026 -36.432 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.065 7.395 -36.454 1.00 0.00 C ATOM 0 H VAL A 14 -3.661 3.493 -36.467 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.197 4.936 -36.182 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.455 6.000 -34.951 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.432 6.890 -36.012 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.492 5.112 -36.048 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.860 6.045 -37.518 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.495 8.226 -36.040 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.077 7.469 -37.541 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.087 7.432 -36.076 1.00 0.00 H new ATOM 223 N SER A 15 -6.356 5.373 -38.585 1.00 0.00 N ATOM 224 CA SER A 15 -6.599 5.506 -39.976 1.00 0.00 C ATOM 225 C SER A 15 -6.732 6.978 -40.320 1.00 0.00 C ATOM 226 O SER A 15 -7.601 7.651 -39.805 1.00 0.00 O ATOM 227 CB SER A 15 -7.853 4.712 -40.298 1.00 0.00 C ATOM 228 OG SER A 15 -7.616 3.342 -40.006 1.00 0.00 O ATOM 0 H SER A 15 -7.134 5.681 -38.002 1.00 0.00 H new ATOM 0 HA SER A 15 -5.778 5.115 -40.576 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.695 5.082 -39.713 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.117 4.834 -41.348 1.00 0.00 H new ATOM 0 HG SER A 15 -8.154 2.782 -40.604 1.00 0.00 H new ATOM 234 N PHE A 16 -5.816 7.476 -41.108 1.00 0.00 N ATOM 235 CA PHE A 16 -5.824 8.864 -41.499 1.00 0.00 C ATOM 236 C PHE A 16 -6.461 9.088 -42.852 1.00 0.00 C ATOM 237 O PHE A 16 -6.341 8.266 -43.778 1.00 0.00 O ATOM 238 CB PHE A 16 -4.416 9.473 -41.473 1.00 0.00 C ATOM 239 CG PHE A 16 -3.900 9.779 -40.100 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.236 8.828 -39.356 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.086 11.038 -39.551 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.771 9.129 -38.096 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.621 11.336 -38.292 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.967 10.383 -37.564 1.00 0.00 C ATOM 0 H PHE A 16 -5.044 6.934 -41.497 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.438 9.375 -40.757 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.727 8.785 -41.962 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.420 10.392 -42.060 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.079 7.840 -39.764 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.604 11.796 -40.120 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.250 8.377 -37.522 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.773 12.322 -37.879 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.605 10.613 -36.573 1.00 0.00 H new ATOM 254 N ASP A 17 -7.152 10.189 -42.945 1.00 0.00 N ATOM 255 CA ASP A 17 -7.760 10.649 -44.161 1.00 0.00 C ATOM 256 C ASP A 17 -7.342 12.069 -44.410 1.00 0.00 C ATOM 257 O ASP A 17 -7.727 12.985 -43.664 1.00 0.00 O ATOM 258 CB ASP A 17 -9.288 10.538 -44.139 1.00 0.00 C ATOM 259 CG ASP A 17 -9.793 9.121 -44.322 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.876 8.659 -45.491 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.126 8.444 -43.334 1.00 0.00 O ATOM 0 H ASP A 17 -7.312 10.810 -42.152 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.416 10.005 -44.971 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.659 10.928 -43.191 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.702 11.167 -44.927 1.00 0.00 H new ATOM 266 N TYR A 18 -6.536 12.250 -45.414 1.00 0.00 N ATOM 267 CA TYR A 18 -5.994 13.540 -45.766 1.00 0.00 C ATOM 268 C TYR A 18 -5.633 13.520 -47.247 1.00 0.00 C ATOM 269 O TYR A 18 -5.147 12.498 -47.757 1.00 0.00 O ATOM 270 CB TYR A 18 -4.735 13.862 -44.898 1.00 0.00 C ATOM 271 CG TYR A 18 -3.598 12.869 -45.075 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.637 11.634 -44.447 1.00 0.00 C ATOM 273 CD2 TYR A 18 -2.509 13.154 -45.898 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.648 10.704 -44.635 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.502 12.223 -46.082 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.585 10.996 -45.450 1.00 0.00 C ATOM 277 OH TYR A 18 -0.614 10.047 -45.650 1.00 0.00 O ATOM 0 H TYR A 18 -6.228 11.495 -46.026 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.734 14.318 -45.575 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.376 14.860 -45.151 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.025 13.884 -43.848 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.465 11.399 -43.795 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.451 14.110 -46.396 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.706 9.744 -44.143 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.657 12.453 -46.715 1.00 0.00 H new ATOM 0 HH TYR A 18 0.157 10.242 -45.078 1.00 0.00 H new ATOM 287 N PRO A 19 -5.891 14.605 -47.966 1.00 0.00 N ATOM 288 CA PRO A 19 -5.557 14.692 -49.379 1.00 0.00 C ATOM 289 C PRO A 19 -4.053 14.861 -49.604 1.00 0.00 C ATOM 290 O PRO A 19 -3.307 15.271 -48.692 1.00 0.00 O ATOM 291 CB PRO A 19 -6.299 15.940 -49.841 1.00 0.00 C ATOM 292 CG PRO A 19 -6.433 16.779 -48.624 1.00 0.00 C ATOM 293 CD PRO A 19 -6.559 15.824 -47.476 1.00 0.00 C ATOM 0 HA PRO A 19 -5.834 13.788 -49.921 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.746 16.462 -50.621 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.275 15.688 -50.256 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.565 17.427 -48.499 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.307 17.426 -48.691 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.078 16.211 -46.578 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.602 15.636 -47.223 1.00 0.00 H new ATOM 301 N SER A 20 -3.620 14.621 -50.825 1.00 0.00 N ATOM 302 CA SER A 20 -2.218 14.709 -51.195 1.00 0.00 C ATOM 303 C SER A 20 -1.726 16.173 -51.198 1.00 0.00 C ATOM 304 O SER A 20 -0.538 16.445 -51.359 1.00 0.00 O ATOM 305 CB SER A 20 -2.005 14.042 -52.551 1.00 0.00 C ATOM 306 OG SER A 20 -2.504 12.711 -52.527 1.00 0.00 O ATOM 0 H SER A 20 -4.234 14.357 -51.596 1.00 0.00 H new ATOM 0 HA SER A 20 -1.623 14.181 -50.449 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.511 14.614 -53.329 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.944 14.036 -52.799 1.00 0.00 H new ATOM 0 HG SER A 20 -2.364 12.293 -53.402 1.00 0.00 H new ATOM 312 N SER A 21 -2.652 17.104 -51.007 1.00 0.00 N ATOM 313 CA SER A 21 -2.334 18.507 -50.868 1.00 0.00 C ATOM 314 C SER A 21 -1.434 18.725 -49.643 1.00 0.00 C ATOM 315 O SER A 21 -0.630 19.634 -49.619 1.00 0.00 O ATOM 316 CB SER A 21 -3.633 19.337 -50.736 1.00 0.00 C ATOM 317 OG SER A 21 -3.370 20.732 -50.610 1.00 0.00 O ATOM 0 H SER A 21 -3.649 16.899 -50.945 1.00 0.00 H new ATOM 0 HA SER A 21 -1.798 18.838 -51.758 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.262 19.165 -51.609 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.194 18.995 -49.866 1.00 0.00 H new ATOM 0 HG SER A 21 -4.217 21.219 -50.531 1.00 0.00 H new ATOM 323 N TYR A 22 -1.545 17.851 -48.651 1.00 0.00 N ATOM 324 CA TYR A 22 -0.779 18.018 -47.425 1.00 0.00 C ATOM 325 C TYR A 22 0.264 16.942 -47.279 1.00 0.00 C ATOM 326 O TYR A 22 0.729 16.695 -46.180 1.00 0.00 O ATOM 327 CB TYR A 22 -1.697 17.998 -46.203 1.00 0.00 C ATOM 328 CG TYR A 22 -2.785 19.025 -46.228 1.00 0.00 C ATOM 329 CD1 TYR A 22 -2.548 20.320 -45.821 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.047 18.694 -46.670 1.00 0.00 C ATOM 331 CE1 TYR A 22 -3.549 21.262 -45.854 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.051 19.626 -46.713 1.00 0.00 C ATOM 333 CZ TYR A 22 -4.798 20.914 -46.303 1.00 0.00 C ATOM 334 OH TYR A 22 -5.800 21.857 -46.347 1.00 0.00 O ATOM 0 H TYR A 22 -2.150 17.030 -48.670 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.280 18.985 -47.487 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.149 17.010 -46.120 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.093 18.148 -45.308 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.565 20.598 -45.472 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.249 17.682 -46.988 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.353 22.273 -45.528 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.034 19.351 -47.066 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.621 21.446 -46.690 1.00 0.00 H new ATOM 344 N SER A 23 0.678 16.360 -48.384 1.00 0.00 N ATOM 345 CA SER A 23 1.644 15.280 -48.374 1.00 0.00 C ATOM 346 C SER A 23 2.943 15.697 -47.673 1.00 0.00 C ATOM 347 O SER A 23 3.374 15.045 -46.743 1.00 0.00 O ATOM 348 CB SER A 23 1.885 14.820 -49.812 1.00 0.00 C ATOM 349 OG SER A 23 2.307 15.904 -50.637 1.00 0.00 O ATOM 0 H SER A 23 0.355 16.622 -49.315 1.00 0.00 H new ATOM 0 HA SER A 23 1.249 14.442 -47.800 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.641 14.035 -49.823 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.970 14.387 -50.216 1.00 0.00 H new ATOM 0 HG SER A 23 1.523 16.332 -51.041 1.00 0.00 H new ATOM 355 N SER A 24 3.471 16.857 -48.029 1.00 0.00 N ATOM 356 CA SER A 24 4.738 17.315 -47.483 1.00 0.00 C ATOM 357 C SER A 24 4.569 17.849 -46.053 1.00 0.00 C ATOM 358 O SER A 24 5.518 17.901 -45.267 1.00 0.00 O ATOM 359 CB SER A 24 5.334 18.386 -48.389 1.00 0.00 C ATOM 360 OG SER A 24 5.487 17.895 -49.727 1.00 0.00 O ATOM 0 H SER A 24 3.041 17.499 -48.695 1.00 0.00 H new ATOM 0 HA SER A 24 5.420 16.466 -47.438 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.690 19.266 -48.391 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.302 18.700 -47.999 1.00 0.00 H new ATOM 0 HG SER A 24 5.869 18.599 -50.292 1.00 0.00 H new ATOM 366 N VAL A 25 3.355 18.174 -45.718 1.00 0.00 N ATOM 367 CA VAL A 25 3.025 18.737 -44.424 1.00 0.00 C ATOM 368 C VAL A 25 2.827 17.636 -43.414 1.00 0.00 C ATOM 369 O VAL A 25 3.266 17.719 -42.258 1.00 0.00 O ATOM 370 CB VAL A 25 1.739 19.579 -44.521 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.251 19.988 -43.151 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.986 20.794 -45.375 1.00 0.00 C ATOM 0 H VAL A 25 2.552 18.058 -46.336 1.00 0.00 H new ATOM 0 HA VAL A 25 3.849 19.375 -44.105 1.00 0.00 H new ATOM 0 HB VAL A 25 0.963 18.969 -44.983 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.342 20.581 -43.251 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.040 19.097 -42.559 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.018 20.581 -42.653 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.073 21.385 -45.440 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.778 21.397 -44.930 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.287 20.481 -46.375 1.00 0.00 H new ATOM 382 N PHE A 26 2.236 16.582 -43.872 1.00 0.00 N ATOM 383 CA PHE A 26 1.889 15.474 -43.056 1.00 0.00 C ATOM 384 C PHE A 26 3.126 14.704 -42.643 1.00 0.00 C ATOM 385 O PHE A 26 3.118 13.966 -41.654 1.00 0.00 O ATOM 386 CB PHE A 26 0.891 14.609 -43.814 1.00 0.00 C ATOM 387 CG PHE A 26 0.903 13.179 -43.393 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.206 12.771 -42.272 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.674 12.253 -44.080 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.270 11.465 -41.852 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.751 10.954 -43.656 1.00 0.00 C ATOM 392 CZ PHE A 26 1.048 10.557 -42.547 1.00 0.00 C ATOM 0 H PHE A 26 1.976 16.468 -44.852 1.00 0.00 H new ATOM 0 HA PHE A 26 1.421 15.815 -42.133 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.111 15.013 -43.670 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.108 14.667 -44.881 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.392 13.483 -41.723 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.220 12.561 -44.960 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.285 11.148 -40.982 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.363 10.244 -44.193 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.102 9.531 -42.215 1.00 0.00 H new ATOM 402 N LEU A 27 4.207 14.915 -43.362 1.00 0.00 N ATOM 403 CA LEU A 27 5.460 14.252 -43.062 1.00 0.00 C ATOM 404 C LEU A 27 5.923 14.645 -41.669 1.00 0.00 C ATOM 405 O LEU A 27 6.649 13.920 -41.012 1.00 0.00 O ATOM 406 CB LEU A 27 6.530 14.615 -44.078 1.00 0.00 C ATOM 407 CG LEU A 27 6.151 14.445 -45.539 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.332 14.706 -46.441 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.524 13.085 -45.799 1.00 0.00 C ATOM 0 H LEU A 27 4.244 15.544 -44.164 1.00 0.00 H new ATOM 0 HA LEU A 27 5.298 13.175 -43.108 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.817 15.654 -43.917 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.412 14.006 -43.879 1.00 0.00 H new ATOM 0 HG LEU A 27 5.393 15.191 -45.775 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.031 14.577 -47.481 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.687 15.725 -46.290 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.132 14.004 -46.205 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.266 12.999 -46.854 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.233 12.301 -45.534 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.623 12.978 -45.195 1.00 0.00 H new ATOM 421 N ARG A 28 5.444 15.772 -41.211 1.00 0.00 N ATOM 422 CA ARG A 28 5.762 16.231 -39.893 1.00 0.00 C ATOM 423 C ARG A 28 4.973 15.404 -38.897 1.00 0.00 C ATOM 424 O ARG A 28 5.529 14.808 -38.009 1.00 0.00 O ATOM 425 CB ARG A 28 5.431 17.718 -39.738 1.00 0.00 C ATOM 426 CG ARG A 28 6.056 18.614 -40.805 1.00 0.00 C ATOM 427 CD ARG A 28 7.531 18.312 -40.995 1.00 0.00 C ATOM 428 NE ARG A 28 8.302 18.479 -39.758 1.00 0.00 N ATOM 429 CZ ARG A 28 9.632 18.364 -39.667 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.353 18.033 -40.742 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.231 18.560 -38.498 1.00 0.00 N ATOM 0 H ARG A 28 4.828 16.390 -41.739 1.00 0.00 H new ATOM 0 HA ARG A 28 6.830 16.114 -39.712 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.348 17.842 -39.764 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.767 18.053 -38.757 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.531 18.475 -41.750 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.932 19.659 -40.522 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.646 17.290 -41.356 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.937 18.969 -41.764 1.00 0.00 H new ATOM 0 HE ARG A 28 7.787 18.699 -38.906 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.890 17.867 -41.635 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.367 17.946 -40.669 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.677 18.797 -37.675 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.245 18.473 -38.423 1.00 0.00 H new ATOM 445 N LEU A 29 3.679 15.299 -39.143 1.00 0.00 N ATOM 446 CA LEU A 29 2.748 14.560 -38.287 1.00 0.00 C ATOM 447 C LEU A 29 3.163 13.079 -38.224 1.00 0.00 C ATOM 448 O LEU A 29 3.063 12.445 -37.178 1.00 0.00 O ATOM 449 CB LEU A 29 1.310 14.728 -38.866 1.00 0.00 C ATOM 450 CG LEU A 29 0.077 14.348 -37.989 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.141 12.860 -37.919 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.204 14.916 -36.583 1.00 0.00 C ATOM 0 H LEU A 29 3.232 15.728 -39.953 1.00 0.00 H new ATOM 0 HA LEU A 29 2.767 14.949 -37.269 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.195 15.773 -39.155 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.255 14.136 -39.780 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.792 14.791 -38.476 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.011 12.649 -37.297 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.309 12.469 -38.923 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.739 12.383 -37.487 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.670 14.634 -35.996 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.102 14.519 -36.110 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.271 16.003 -36.634 1.00 0.00 H new ATOM 464 N ARG A 30 3.681 12.551 -39.336 1.00 0.00 N ATOM 465 CA ARG A 30 4.092 11.148 -39.378 1.00 0.00 C ATOM 466 C ARG A 30 5.329 10.957 -38.537 1.00 0.00 C ATOM 467 O ARG A 30 5.484 9.958 -37.851 1.00 0.00 O ATOM 468 CB ARG A 30 4.299 10.647 -40.810 1.00 0.00 C ATOM 469 CG ARG A 30 5.615 11.020 -41.456 1.00 0.00 C ATOM 470 CD ARG A 30 5.664 10.611 -42.918 1.00 0.00 C ATOM 471 NE ARG A 30 5.569 9.160 -43.114 1.00 0.00 N ATOM 472 CZ ARG A 30 5.183 8.569 -44.259 1.00 0.00 C ATOM 473 NH1 ARG A 30 4.808 9.305 -45.311 1.00 0.00 N ATOM 474 NH2 ARG A 30 5.170 7.248 -44.348 1.00 0.00 N ATOM 0 H ARG A 30 3.824 13.065 -40.205 1.00 0.00 H new ATOM 0 HA ARG A 30 3.286 10.544 -38.961 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.211 9.561 -40.811 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.490 11.033 -41.430 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.767 12.096 -41.375 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.433 10.541 -40.917 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.848 11.098 -43.453 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.594 10.971 -43.359 1.00 0.00 H new ATOM 0 HE ARG A 30 5.813 8.558 -42.328 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.813 10.323 -45.249 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.517 8.848 -46.175 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.452 6.680 -43.549 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.878 6.798 -45.215 1.00 0.00 H new ATOM 488 N SER A 31 6.163 11.957 -38.549 1.00 0.00 N ATOM 489 CA SER A 31 7.360 11.956 -37.749 1.00 0.00 C ATOM 490 C SER A 31 6.993 12.008 -36.275 1.00 0.00 C ATOM 491 O SER A 31 7.630 11.368 -35.447 1.00 0.00 O ATOM 492 CB SER A 31 8.272 13.106 -38.152 1.00 0.00 C ATOM 493 OG SER A 31 8.654 12.973 -39.522 1.00 0.00 O ATOM 0 H SER A 31 6.035 12.797 -39.113 1.00 0.00 H new ATOM 0 HA SER A 31 7.913 11.033 -37.923 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.761 14.056 -38.000 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.159 13.116 -37.518 1.00 0.00 H new ATOM 0 HG SER A 31 8.014 13.452 -40.088 1.00 0.00 H new ATOM 499 N LEU A 32 5.896 12.695 -35.977 1.00 0.00 N ATOM 500 CA LEU A 32 5.389 12.784 -34.617 1.00 0.00 C ATOM 501 C LEU A 32 4.911 11.429 -34.133 1.00 0.00 C ATOM 502 O LEU A 32 5.052 11.101 -32.969 1.00 0.00 O ATOM 503 CB LEU A 32 4.253 13.810 -34.493 1.00 0.00 C ATOM 504 CG LEU A 32 4.630 15.271 -34.159 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.285 15.360 -32.792 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.545 15.878 -35.195 1.00 0.00 C ATOM 0 H LEU A 32 5.339 13.201 -36.666 1.00 0.00 H new ATOM 0 HA LEU A 32 6.216 13.120 -33.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.702 13.814 -35.433 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.567 13.457 -33.723 1.00 0.00 H new ATOM 0 HG LEU A 32 3.700 15.839 -34.157 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.542 16.398 -32.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.594 14.993 -32.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.190 14.753 -32.782 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.781 16.905 -34.915 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.465 15.297 -35.253 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.050 15.871 -36.166 1.00 0.00 H new ATOM 518 N MET A 33 4.353 10.650 -35.039 1.00 0.00 N ATOM 519 CA MET A 33 3.866 9.314 -34.735 1.00 0.00 C ATOM 520 C MET A 33 4.993 8.435 -34.247 1.00 0.00 C ATOM 521 O MET A 33 4.887 7.800 -33.212 1.00 0.00 O ATOM 522 CB MET A 33 3.304 8.658 -35.974 1.00 0.00 C ATOM 523 CG MET A 33 2.248 9.423 -36.687 1.00 0.00 C ATOM 524 SD MET A 33 1.707 8.529 -38.136 1.00 0.00 S ATOM 525 CE MET A 33 0.552 9.673 -38.827 1.00 0.00 C ATOM 0 H MET A 33 4.223 10.925 -36.012 1.00 0.00 H new ATOM 0 HA MET A 33 3.097 9.420 -33.969 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.124 8.473 -36.668 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.897 7.686 -35.695 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.402 9.596 -36.021 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.631 10.401 -36.977 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.085 9.158 -39.546 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.064 10.093 -38.032 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.091 10.476 -39.330 1.00 0.00 H new ATOM 535 N TYR A 34 6.070 8.415 -35.002 1.00 0.00 N ATOM 536 CA TYR A 34 7.216 7.566 -34.687 1.00 0.00 C ATOM 537 C TYR A 34 8.048 8.159 -33.564 1.00 0.00 C ATOM 538 O TYR A 34 8.899 7.491 -32.971 1.00 0.00 O ATOM 539 CB TYR A 34 8.050 7.323 -35.935 1.00 0.00 C ATOM 540 CG TYR A 34 7.245 6.674 -37.046 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.762 5.379 -36.913 1.00 0.00 C ATOM 542 CD2 TYR A 34 6.952 7.361 -38.215 1.00 0.00 C ATOM 543 CE1 TYR A 34 6.017 4.797 -37.909 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.204 6.778 -39.220 1.00 0.00 C ATOM 545 CZ TYR A 34 5.739 5.496 -39.059 1.00 0.00 C ATOM 546 OH TYR A 34 4.990 4.895 -40.059 1.00 0.00 O ATOM 0 H TYR A 34 6.183 8.978 -35.845 1.00 0.00 H new ATOM 0 HA TYR A 34 6.846 6.603 -34.335 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.456 8.271 -36.289 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.899 6.687 -35.684 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.975 4.821 -36.013 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.315 8.370 -38.342 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.649 3.789 -37.788 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.987 7.326 -40.125 1.00 0.00 H new ATOM 0 HH TYR A 34 4.058 5.192 -39.994 1.00 0.00 H new ATOM 556 N ASP A 35 7.835 9.425 -33.321 1.00 0.00 N ATOM 557 CA ASP A 35 8.412 10.107 -32.168 1.00 0.00 C ATOM 558 C ASP A 35 7.624 9.683 -30.919 1.00 0.00 C ATOM 559 O ASP A 35 8.136 9.659 -29.807 1.00 0.00 O ATOM 560 CB ASP A 35 8.358 11.621 -32.383 1.00 0.00 C ATOM 561 CG ASP A 35 8.986 12.434 -31.280 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.224 12.376 -31.093 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.274 13.211 -30.639 1.00 0.00 O ATOM 0 H ASP A 35 7.257 10.023 -33.911 1.00 0.00 H new ATOM 0 HA ASP A 35 9.459 9.834 -32.037 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.858 11.859 -33.322 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.316 11.923 -32.491 1.00 0.00 H new ATOM 568 N MET A 36 6.370 9.327 -31.142 1.00 0.00 N ATOM 569 CA MET A 36 5.504 8.760 -30.130 1.00 0.00 C ATOM 570 C MET A 36 5.554 7.221 -30.200 1.00 0.00 C ATOM 571 O MET A 36 6.548 6.657 -30.649 1.00 0.00 O ATOM 572 CB MET A 36 4.075 9.303 -30.289 1.00 0.00 C ATOM 573 CG MET A 36 3.938 10.737 -29.818 1.00 0.00 C ATOM 574 SD MET A 36 2.263 11.409 -29.957 1.00 0.00 S ATOM 575 CE MET A 36 2.082 11.494 -31.736 1.00 0.00 C ATOM 0 H MET A 36 5.919 9.427 -32.051 1.00 0.00 H new ATOM 0 HA MET A 36 5.853 9.056 -29.141 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.781 9.239 -31.337 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.387 8.673 -29.726 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.256 10.797 -28.777 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.618 11.364 -30.396 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.067 11.806 -31.984 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.792 12.215 -32.140 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.276 10.513 -32.169 1.00 0.00 H new ATOM 585 N ASN A 37 4.509 6.550 -29.746 1.00 0.00 N ATOM 586 CA ASN A 37 4.505 5.064 -29.665 1.00 0.00 C ATOM 587 C ASN A 37 4.011 4.375 -30.936 1.00 0.00 C ATOM 588 O ASN A 37 3.899 3.147 -30.972 1.00 0.00 O ATOM 589 CB ASN A 37 3.647 4.564 -28.496 1.00 0.00 C ATOM 590 CG ASN A 37 4.243 4.711 -27.113 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.004 5.726 -26.898 1.00 0.00 O flip ATOM 592 ND2 ASN A 37 3.974 3.909 -26.225 1.00 0.00 N flip ATOM 0 H ASN A 37 3.647 6.990 -29.425 1.00 0.00 H new ATOM 0 HA ASN A 37 5.552 4.800 -29.517 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.697 5.098 -28.517 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.424 3.510 -28.662 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.368 3.113 -26.423 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.356 4.038 -25.288 1.00 0.00 H new ATOM 599 N PHE A 38 3.662 5.141 -31.938 1.00 0.00 N ATOM 600 CA PHE A 38 3.156 4.582 -33.202 1.00 0.00 C ATOM 601 C PHE A 38 4.234 3.811 -33.974 1.00 0.00 C ATOM 602 O PHE A 38 5.431 4.015 -33.771 1.00 0.00 O ATOM 603 CB PHE A 38 2.589 5.670 -34.095 1.00 0.00 C ATOM 604 CG PHE A 38 1.459 6.419 -33.484 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.707 7.498 -32.660 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.154 6.044 -33.721 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.687 8.190 -32.085 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.878 6.739 -33.140 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.600 7.814 -32.320 1.00 0.00 C ATOM 0 H PHE A 38 3.713 6.160 -31.919 1.00 0.00 H new ATOM 0 HA PHE A 38 2.365 3.884 -32.928 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.384 6.372 -34.347 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.252 5.221 -35.030 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.727 7.798 -32.469 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.057 5.203 -34.364 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.897 9.034 -31.445 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.901 6.446 -33.324 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.410 8.361 -31.861 1.00 0.00 H new ATOM 619 N SER A 39 3.801 2.932 -34.852 1.00 0.00 N ATOM 620 CA SER A 39 4.690 2.108 -35.654 1.00 0.00 C ATOM 621 C SER A 39 4.124 1.920 -37.081 1.00 0.00 C ATOM 622 O SER A 39 2.963 2.265 -37.346 1.00 0.00 O ATOM 623 CB SER A 39 4.821 0.754 -34.992 1.00 0.00 C ATOM 624 OG SER A 39 5.204 0.880 -33.621 1.00 0.00 O ATOM 0 H SER A 39 2.811 2.765 -35.034 1.00 0.00 H new ATOM 0 HA SER A 39 5.661 2.598 -35.727 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.873 0.221 -35.059 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.561 0.157 -35.525 1.00 0.00 H new ATOM 0 HG SER A 39 5.279 -0.011 -33.219 1.00 0.00 H new ATOM 630 N SER A 40 4.938 1.354 -37.973 1.00 0.00 N ATOM 631 CA SER A 40 4.562 1.110 -39.360 1.00 0.00 C ATOM 632 C SER A 40 4.103 -0.330 -39.561 1.00 0.00 C ATOM 633 O SER A 40 3.462 -0.657 -40.577 1.00 0.00 O ATOM 634 CB SER A 40 5.768 1.321 -40.242 1.00 0.00 C ATOM 635 OG SER A 40 6.392 2.565 -39.993 1.00 0.00 O ATOM 0 H SER A 40 5.885 1.050 -37.748 1.00 0.00 H new ATOM 0 HA SER A 40 3.751 1.793 -39.612 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.484 0.516 -40.076 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.466 1.269 -41.288 1.00 0.00 H new ATOM 0 HG SER A 40 5.709 3.262 -39.904 1.00 0.00 H new ATOM 641 N ILE A 41 4.485 -1.179 -38.643 1.00 0.00 N ATOM 642 CA ILE A 41 4.174 -2.598 -38.675 1.00 0.00 C ATOM 643 C ILE A 41 3.466 -2.987 -37.387 1.00 0.00 C ATOM 644 O ILE A 41 3.689 -2.365 -36.345 1.00 0.00 O ATOM 645 CB ILE A 41 5.502 -3.472 -38.839 1.00 0.00 C ATOM 646 CG1 ILE A 41 5.994 -3.583 -40.285 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.407 -4.849 -38.228 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.506 -2.314 -40.870 1.00 0.00 C ATOM 0 H ILE A 41 5.035 -0.903 -37.829 1.00 0.00 H new ATOM 0 HA ILE A 41 3.527 -2.792 -39.531 1.00 0.00 H new ATOM 0 HB ILE A 41 6.242 -2.906 -38.274 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.785 -4.332 -40.328 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.175 -3.948 -40.905 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.347 -5.380 -38.380 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.209 -4.760 -37.160 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.596 -5.402 -38.702 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.831 -2.491 -41.895 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.714 -1.565 -40.865 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.348 -1.955 -40.279 1.00 0.00 H new ATOM 660 N VAL A 42 2.600 -3.961 -37.476 1.00 0.00 N ATOM 661 CA VAL A 42 1.975 -4.558 -36.326 1.00 0.00 C ATOM 662 C VAL A 42 1.670 -6.010 -36.687 1.00 0.00 C ATOM 663 O VAL A 42 1.508 -6.325 -37.874 1.00 0.00 O ATOM 664 CB VAL A 42 0.667 -3.807 -35.911 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.381 -3.935 -36.975 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.121 -4.315 -34.588 1.00 0.00 C ATOM 0 H VAL A 42 2.304 -4.368 -38.363 1.00 0.00 H new ATOM 0 HA VAL A 42 2.645 -4.496 -35.468 1.00 0.00 H new ATOM 0 HB VAL A 42 0.927 -2.755 -35.789 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.281 -3.405 -36.664 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.010 -3.505 -37.905 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.615 -4.988 -37.130 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.787 -3.768 -34.335 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.107 -5.378 -34.672 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.865 -4.164 -33.806 1.00 0.00 H new ATOM 676 N ALA A 43 1.694 -6.893 -35.721 1.00 0.00 N ATOM 677 CA ALA A 43 1.308 -8.260 -35.960 1.00 0.00 C ATOM 678 C ALA A 43 -0.177 -8.327 -36.285 1.00 0.00 C ATOM 679 O ALA A 43 -1.005 -7.697 -35.608 1.00 0.00 O ATOM 680 CB ALA A 43 1.627 -9.143 -34.768 1.00 0.00 C ATOM 0 H ALA A 43 1.977 -6.690 -34.762 1.00 0.00 H new ATOM 0 HA ALA A 43 1.881 -8.632 -36.809 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.323 -10.168 -34.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.699 -9.116 -34.572 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.089 -8.780 -33.892 1.00 0.00 H new ATOM 686 N ASP A 44 -0.487 -9.078 -37.309 1.00 0.00 N ATOM 687 CA ASP A 44 -1.847 -9.274 -37.803 1.00 0.00 C ATOM 688 C ASP A 44 -2.543 -10.290 -36.899 1.00 0.00 C ATOM 689 O ASP A 44 -2.014 -10.647 -35.840 1.00 0.00 O ATOM 690 CB ASP A 44 -1.730 -9.861 -39.216 1.00 0.00 C ATOM 691 CG ASP A 44 -2.985 -9.797 -40.039 1.00 0.00 C ATOM 692 OD1 ASP A 44 -3.785 -10.744 -39.953 1.00 0.00 O ATOM 693 OD2 ASP A 44 -3.151 -8.834 -40.784 1.00 0.00 O ATOM 0 H ASP A 44 0.213 -9.590 -37.846 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.411 -8.341 -37.812 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.938 -9.333 -39.747 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.420 -10.903 -39.135 1.00 0.00 H new ATOM 698 N GLU A 45 -3.660 -10.818 -37.327 1.00 0.00 N ATOM 699 CA GLU A 45 -4.366 -11.801 -36.541 1.00 0.00 C ATOM 700 C GLU A 45 -3.673 -13.124 -36.753 1.00 0.00 C ATOM 701 O GLU A 45 -3.742 -14.025 -35.930 1.00 0.00 O ATOM 702 CB GLU A 45 -5.847 -11.903 -36.930 1.00 0.00 C ATOM 703 CG GLU A 45 -6.109 -12.496 -38.301 1.00 0.00 C ATOM 704 CD GLU A 45 -7.580 -12.617 -38.597 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.202 -11.638 -39.035 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.148 -13.710 -38.368 1.00 0.00 O ATOM 0 H GLU A 45 -4.102 -10.585 -38.216 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.348 -11.508 -35.491 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.362 -12.508 -36.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.287 -10.906 -36.891 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.637 -11.873 -39.061 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.645 -13.480 -38.364 1.00 0.00 H new ATOM 713 N TYR A 46 -2.950 -13.201 -37.873 1.00 0.00 N ATOM 714 CA TYR A 46 -2.187 -14.382 -38.215 1.00 0.00 C ATOM 715 C TYR A 46 -0.914 -14.395 -37.391 1.00 0.00 C ATOM 716 O TYR A 46 -0.219 -15.404 -37.311 1.00 0.00 O ATOM 717 CB TYR A 46 -1.769 -14.376 -39.692 1.00 0.00 C ATOM 718 CG TYR A 46 -2.843 -14.015 -40.679 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.143 -14.474 -40.541 1.00 0.00 C ATOM 720 CD2 TYR A 46 -2.549 -13.191 -41.749 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.113 -14.122 -41.444 1.00 0.00 C ATOM 722 CE2 TYR A 46 -3.512 -12.839 -42.657 1.00 0.00 C ATOM 723 CZ TYR A 46 -4.792 -13.302 -42.501 1.00 0.00 C ATOM 724 OH TYR A 46 -5.760 -12.956 -43.419 1.00 0.00 O ATOM 0 H TYR A 46 -2.883 -12.447 -38.557 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.814 -15.252 -38.019 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.942 -13.676 -39.812 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.388 -15.365 -39.945 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.396 -15.118 -39.711 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.543 -12.818 -41.871 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.123 -14.486 -41.326 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.264 -12.200 -43.491 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.369 -12.371 -44.102 1.00 0.00 H new ATOM 734 N GLY A 47 -0.603 -13.248 -36.807 1.00 0.00 N ATOM 735 CA GLY A 47 0.616 -13.090 -36.051 1.00 0.00 C ATOM 736 C GLY A 47 1.756 -12.621 -36.932 1.00 0.00 C ATOM 737 O GLY A 47 2.908 -12.600 -36.518 1.00 0.00 O ATOM 0 H GLY A 47 -1.186 -12.412 -36.846 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.457 -12.372 -35.247 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.882 -14.038 -35.584 1.00 0.00 H new ATOM 741 N ILE A 48 1.432 -12.244 -38.149 1.00 0.00 N ATOM 742 CA ILE A 48 2.421 -11.806 -39.118 1.00 0.00 C ATOM 743 C ILE A 48 2.524 -10.297 -39.102 1.00 0.00 C ATOM 744 O ILE A 48 1.512 -9.620 -39.093 1.00 0.00 O ATOM 745 CB ILE A 48 2.116 -12.354 -40.574 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.647 -13.787 -40.751 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.668 -11.452 -41.676 1.00 0.00 C ATOM 748 CD1 ILE A 48 2.044 -14.803 -39.820 1.00 0.00 C ATOM 0 H ILE A 48 0.474 -12.231 -38.499 1.00 0.00 H new ATOM 0 HA ILE A 48 3.385 -12.225 -38.830 1.00 0.00 H new ATOM 0 HB ILE A 48 1.031 -12.360 -40.673 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.464 -14.103 -41.778 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.727 -13.779 -40.607 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.428 -11.879 -42.650 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.220 -10.462 -41.594 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.750 -11.371 -41.572 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.479 -15.782 -40.019 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.249 -14.518 -38.788 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.966 -14.846 -39.977 1.00 0.00 H new ATOM 760 N PRO A 49 3.738 -9.762 -39.013 1.00 0.00 N ATOM 761 CA PRO A 49 3.970 -8.323 -39.033 1.00 0.00 C ATOM 762 C PRO A 49 3.562 -7.676 -40.379 1.00 0.00 C ATOM 763 O PRO A 49 4.242 -7.813 -41.413 1.00 0.00 O ATOM 764 CB PRO A 49 5.472 -8.183 -38.765 1.00 0.00 C ATOM 765 CG PRO A 49 6.065 -9.510 -39.090 1.00 0.00 C ATOM 766 CD PRO A 49 4.991 -10.525 -38.858 1.00 0.00 C ATOM 0 HA PRO A 49 3.363 -7.803 -38.292 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.908 -7.398 -39.382 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.661 -7.914 -37.726 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.408 -9.538 -40.124 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.932 -9.712 -38.461 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.052 -11.342 -39.577 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.068 -10.968 -37.865 1.00 0.00 H new ATOM 774 N ARG A 50 2.426 -7.039 -40.350 1.00 0.00 N ATOM 775 CA ARG A 50 1.833 -6.375 -41.479 1.00 0.00 C ATOM 776 C ARG A 50 2.156 -4.883 -41.494 1.00 0.00 C ATOM 777 O ARG A 50 2.261 -4.250 -40.436 1.00 0.00 O ATOM 778 CB ARG A 50 0.332 -6.574 -41.410 1.00 0.00 C ATOM 779 CG ARG A 50 -0.119 -7.978 -41.745 1.00 0.00 C ATOM 780 CD ARG A 50 -0.021 -8.204 -43.226 1.00 0.00 C ATOM 781 NE ARG A 50 -0.507 -9.520 -43.686 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.784 -9.773 -44.046 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.791 -9.206 -43.405 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.045 -10.732 -44.917 1.00 0.00 N ATOM 0 H ARG A 50 1.863 -6.964 -39.503 1.00 0.00 H new ATOM 0 HA ARG A 50 2.241 -6.803 -42.394 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.012 -6.323 -40.407 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.149 -5.876 -42.095 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.498 -8.704 -41.216 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.146 -8.129 -41.412 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.587 -7.425 -43.736 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.020 -8.091 -43.528 1.00 0.00 H new ATOM 0 HE ARG A 50 0.164 -10.287 -43.735 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.608 -8.570 -42.629 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.751 -9.405 -43.686 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.283 -11.280 -45.316 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.009 -10.925 -45.190 1.00 0.00 H new ATOM 798 N GLN A 51 2.343 -4.341 -42.692 1.00 0.00 N ATOM 799 CA GLN A 51 2.556 -2.916 -42.884 1.00 0.00 C ATOM 800 C GLN A 51 1.238 -2.174 -42.874 1.00 0.00 C ATOM 801 O GLN A 51 0.242 -2.605 -43.449 1.00 0.00 O ATOM 802 CB GLN A 51 3.311 -2.616 -44.173 1.00 0.00 C ATOM 803 CG GLN A 51 4.805 -2.804 -44.078 1.00 0.00 C ATOM 804 CD GLN A 51 5.567 -1.491 -43.942 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.692 -1.363 -44.412 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.014 -0.553 -43.221 1.00 0.00 N ATOM 0 H GLN A 51 2.351 -4.881 -43.558 1.00 0.00 H new ATOM 0 HA GLN A 51 3.170 -2.572 -42.052 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.926 -3.260 -44.964 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.105 -1.588 -44.470 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.031 -3.439 -43.221 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.156 -3.330 -44.966 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.076 -0.687 -42.843 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.520 0.313 -43.036 1.00 0.00 H new ATOM 815 N LEU A 52 1.265 -1.069 -42.229 1.00 0.00 N ATOM 816 CA LEU A 52 0.096 -0.232 -41.996 1.00 0.00 C ATOM 817 C LEU A 52 0.009 0.900 -42.978 1.00 0.00 C ATOM 818 O LEU A 52 -1.062 1.475 -43.192 1.00 0.00 O ATOM 819 CB LEU A 52 0.282 0.331 -40.603 1.00 0.00 C ATOM 820 CG LEU A 52 0.475 -0.756 -39.575 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.917 -0.200 -38.279 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.793 -1.553 -39.424 1.00 0.00 C ATOM 0 H LEU A 52 2.120 -0.688 -41.825 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.819 -0.814 -42.108 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.145 0.996 -40.593 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.587 0.932 -40.336 1.00 0.00 H new ATOM 0 HG LEU A 52 1.264 -1.423 -39.923 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.047 -1.010 -37.561 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.864 0.323 -38.411 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.167 0.498 -37.907 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.644 -2.336 -38.680 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.600 -0.895 -39.102 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.054 -2.006 -40.380 1.00 0.00 H new ATOM 834 N ASN A 53 1.125 1.169 -43.600 1.00 0.00 N ATOM 835 CA ASN A 53 1.382 2.379 -44.424 1.00 0.00 C ATOM 836 C ASN A 53 0.610 2.496 -45.724 1.00 0.00 C ATOM 837 O ASN A 53 1.160 2.806 -46.776 1.00 0.00 O ATOM 838 CB ASN A 53 2.879 2.594 -44.629 1.00 0.00 C ATOM 839 CG ASN A 53 3.644 2.654 -43.315 1.00 0.00 C ATOM 840 OD1 ASN A 53 4.833 2.345 -43.262 1.00 0.00 O ATOM 841 ND2 ASN A 53 2.965 2.981 -42.233 1.00 0.00 N ATOM 0 H ASN A 53 1.929 0.543 -43.562 1.00 0.00 H new ATOM 0 HA ASN A 53 0.973 3.194 -43.826 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.278 1.786 -45.242 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.038 3.521 -45.181 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.425 2.982 -41.323 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.979 3.233 -42.306 1.00 0.00 H new ATOM 848 N GLU A 54 -0.641 2.298 -45.613 1.00 0.00 N ATOM 849 CA GLU A 54 -1.586 2.535 -46.651 1.00 0.00 C ATOM 850 C GLU A 54 -2.197 3.873 -46.329 1.00 0.00 C ATOM 851 O GLU A 54 -2.150 4.823 -47.108 1.00 0.00 O ATOM 852 CB GLU A 54 -2.651 1.462 -46.611 1.00 0.00 C ATOM 853 CG GLU A 54 -2.068 0.094 -46.728 1.00 0.00 C ATOM 854 CD GLU A 54 -1.466 -0.180 -48.077 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.216 -0.368 -49.051 1.00 0.00 O ATOM 856 OE2 GLU A 54 -0.229 -0.233 -48.186 1.00 0.00 O ATOM 0 H GLU A 54 -1.067 1.948 -44.755 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.130 2.522 -47.641 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.210 1.540 -45.678 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.361 1.625 -47.422 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.302 -0.034 -45.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.845 -0.643 -46.528 1.00 0.00 H new ATOM 863 N ASN A 55 -2.745 3.920 -45.127 1.00 0.00 N ATOM 864 CA ASN A 55 -3.294 5.124 -44.508 1.00 0.00 C ATOM 865 C ASN A 55 -3.466 4.872 -43.032 1.00 0.00 C ATOM 866 O ASN A 55 -4.161 5.610 -42.334 1.00 0.00 O ATOM 867 CB ASN A 55 -4.657 5.522 -45.101 1.00 0.00 C ATOM 868 CG ASN A 55 -5.838 4.579 -44.781 1.00 0.00 C ATOM 869 OD1 ASN A 55 -5.640 3.283 -44.871 1.00 0.00 O flip ATOM 870 ND2 ASN A 55 -6.957 5.041 -44.539 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.825 3.096 -44.531 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.598 5.941 -44.698 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.908 6.521 -44.743 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.554 5.588 -46.184 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.089 6.050 -44.473 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.750 4.413 -44.405 1.00 0.00 H new ATOM 877 N SER A 56 -2.799 3.866 -42.538 1.00 0.00 N ATOM 878 CA SER A 56 -3.020 3.460 -41.213 1.00 0.00 C ATOM 879 C SER A 56 -1.704 3.306 -40.520 1.00 0.00 C ATOM 880 O SER A 56 -0.666 3.218 -41.175 1.00 0.00 O ATOM 881 CB SER A 56 -3.781 2.141 -41.194 1.00 0.00 C ATOM 882 OG SER A 56 -4.933 2.189 -42.038 1.00 0.00 O ATOM 0 H SER A 56 -2.101 3.324 -43.048 1.00 0.00 H new ATOM 0 HA SER A 56 -3.615 4.212 -40.695 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.123 1.335 -41.520 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.086 1.910 -40.173 1.00 0.00 H new ATOM 0 HG SER A 56 -5.289 1.284 -42.157 1.00 0.00 H new ATOM 888 N PHE A 57 -1.735 3.331 -39.224 1.00 0.00 N ATOM 889 CA PHE A 57 -0.571 3.142 -38.408 1.00 0.00 C ATOM 890 C PHE A 57 -1.053 2.505 -37.118 1.00 0.00 C ATOM 891 O PHE A 57 -2.249 2.524 -36.860 1.00 0.00 O ATOM 892 CB PHE A 57 0.115 4.474 -38.110 1.00 0.00 C ATOM 893 CG PHE A 57 0.428 5.325 -39.322 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.620 5.163 -40.002 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.489 6.267 -39.795 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.905 5.920 -41.126 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.208 7.020 -40.921 1.00 0.00 C ATOM 898 CZ PHE A 57 0.991 6.847 -41.584 1.00 0.00 C ATOM 0 H PHE A 57 -2.589 3.487 -38.689 1.00 0.00 H new ATOM 0 HA PHE A 57 0.159 2.515 -38.919 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.521 5.049 -37.437 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.044 4.274 -37.577 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.339 4.437 -39.652 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.426 6.409 -39.277 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.843 5.785 -41.644 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.926 7.742 -41.281 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.213 7.437 -42.461 1.00 0.00 H new ATOM 908 N ALA A 58 -0.168 1.953 -36.323 1.00 0.00 N ATOM 909 CA ALA A 58 -0.581 1.256 -35.114 1.00 0.00 C ATOM 910 C ALA A 58 0.181 1.739 -33.930 1.00 0.00 C ATOM 911 O ALA A 58 1.275 2.270 -34.064 1.00 0.00 O ATOM 912 CB ALA A 58 -0.413 -0.252 -35.247 1.00 0.00 C ATOM 0 H ALA A 58 0.839 1.969 -36.484 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.639 1.474 -34.971 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.732 -0.736 -34.324 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.021 -0.614 -36.076 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.635 -0.486 -35.436 1.00 0.00 H new ATOM 918 N ILE A 59 -0.369 1.533 -32.778 1.00 0.00 N ATOM 919 CA ILE A 59 0.240 1.957 -31.566 1.00 0.00 C ATOM 920 C ILE A 59 -0.080 0.971 -30.449 1.00 0.00 C ATOM 921 O ILE A 59 -1.188 0.470 -30.362 1.00 0.00 O ATOM 922 CB ILE A 59 -0.200 3.390 -31.209 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.544 3.875 -29.993 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.710 3.474 -30.978 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.448 5.353 -29.821 1.00 0.00 C ATOM 0 H ILE A 59 -1.264 1.060 -32.654 1.00 0.00 H new ATOM 0 HA ILE A 59 1.322 1.975 -31.697 1.00 0.00 H new ATOM 0 HB ILE A 59 0.041 4.034 -32.055 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.146 3.382 -29.106 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.593 3.588 -30.073 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.983 4.499 -30.728 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.234 3.169 -31.884 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.990 2.814 -30.157 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.001 5.652 -28.931 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.871 5.849 -30.695 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.598 5.639 -29.712 1.00 0.00 H new ATOM 937 N THR A 60 0.883 0.695 -29.617 1.00 0.00 N ATOM 938 CA THR A 60 0.721 -0.274 -28.552 1.00 0.00 C ATOM 939 C THR A 60 0.377 0.444 -27.224 1.00 0.00 C ATOM 940 O THR A 60 0.691 -0.033 -26.136 1.00 0.00 O ATOM 941 CB THR A 60 2.017 -1.148 -28.409 1.00 0.00 C ATOM 942 OG1 THR A 60 1.764 -2.287 -27.565 1.00 0.00 O ATOM 943 CG2 THR A 60 3.179 -0.349 -27.814 1.00 0.00 C ATOM 0 H THR A 60 1.805 1.131 -29.651 1.00 0.00 H new ATOM 0 HA THR A 60 -0.106 -0.940 -28.799 1.00 0.00 H new ATOM 0 HB THR A 60 2.292 -1.475 -29.412 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.364 -1.987 -26.722 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.057 -0.990 -27.732 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.407 0.498 -28.461 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.901 0.015 -26.825 1.00 0.00 H new ATOM 951 N THR A 61 -0.366 1.518 -27.327 1.00 0.00 N ATOM 952 CA THR A 61 -0.684 2.320 -26.176 1.00 0.00 C ATOM 953 C THR A 61 -1.812 1.655 -25.381 1.00 0.00 C ATOM 954 O THR A 61 -2.535 0.806 -25.897 1.00 0.00 O ATOM 955 CB THR A 61 -1.119 3.753 -26.590 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.185 4.585 -25.437 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.493 3.734 -27.248 1.00 0.00 C ATOM 0 H THR A 61 -0.763 1.857 -28.203 1.00 0.00 H new ATOM 0 HA THR A 61 0.211 2.398 -25.559 1.00 0.00 H new ATOM 0 HB THR A 61 -0.385 4.138 -27.298 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.980 5.510 -25.689 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.776 4.748 -27.529 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.461 3.106 -28.139 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.226 3.334 -26.548 1.00 0.00 H new ATOM 965 N SER A 62 -1.943 2.012 -24.144 1.00 0.00 N ATOM 966 CA SER A 62 -2.968 1.469 -23.327 1.00 0.00 C ATOM 967 C SER A 62 -4.144 2.438 -23.192 1.00 0.00 C ATOM 968 O SER A 62 -5.233 2.035 -22.787 1.00 0.00 O ATOM 969 CB SER A 62 -2.373 1.109 -21.971 1.00 0.00 C ATOM 970 OG SER A 62 -1.498 2.143 -21.515 1.00 0.00 O ATOM 0 H SER A 62 -1.340 2.689 -23.676 1.00 0.00 H new ATOM 0 HA SER A 62 -3.366 0.567 -23.792 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.173 0.956 -21.246 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.826 0.169 -22.046 1.00 0.00 H new ATOM 0 HG SER A 62 -1.126 1.896 -20.642 1.00 0.00 H new ATOM 976 N LEU A 63 -3.923 3.705 -23.525 1.00 0.00 N ATOM 977 CA LEU A 63 -4.976 4.720 -23.434 1.00 0.00 C ATOM 978 C LEU A 63 -6.095 4.476 -24.438 1.00 0.00 C ATOM 979 O LEU A 63 -5.987 3.615 -25.313 1.00 0.00 O ATOM 980 CB LEU A 63 -4.403 6.162 -23.491 1.00 0.00 C ATOM 981 CG LEU A 63 -3.436 6.482 -24.614 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.121 6.838 -25.891 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.396 7.507 -24.203 1.00 0.00 C ATOM 0 H LEU A 63 -3.026 4.057 -23.860 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.434 4.622 -22.450 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.241 6.856 -23.560 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.900 6.363 -22.545 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.896 5.558 -24.819 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.375 7.056 -26.655 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.741 6.003 -26.217 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.748 7.716 -25.735 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.727 7.703 -25.041 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.893 8.432 -23.911 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.820 7.123 -23.361 1.00 0.00 H new ATOM 995 N ALA A 64 -7.153 5.209 -24.314 1.00 0.00 N ATOM 996 CA ALA A 64 -8.310 4.969 -25.123 1.00 0.00 C ATOM 997 C ALA A 64 -8.234 5.668 -26.464 1.00 0.00 C ATOM 998 O ALA A 64 -7.374 6.516 -26.686 1.00 0.00 O ATOM 999 CB ALA A 64 -9.587 5.320 -24.383 1.00 0.00 C ATOM 0 H ALA A 64 -7.243 5.984 -23.657 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.330 3.899 -25.331 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.445 5.126 -25.026 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.664 4.712 -23.482 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.570 6.375 -24.109 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.170 5.336 -27.333 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.216 5.853 -28.696 1.00 0.00 C ATOM 1007 C ALA A 65 -9.300 7.371 -28.737 1.00 0.00 C ATOM 1008 O ALA A 65 -8.577 8.027 -29.493 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.364 5.214 -29.467 1.00 0.00 C ATOM 0 H ALA A 65 -9.931 4.693 -27.114 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.278 5.582 -29.181 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.385 5.610 -30.482 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.222 4.134 -29.502 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.307 5.440 -28.969 1.00 0.00 H new ATOM 1015 N SER A 66 -10.120 7.915 -27.880 1.00 0.00 N ATOM 1016 CA SER A 66 -10.317 9.340 -27.801 1.00 0.00 C ATOM 1017 C SER A 66 -9.058 10.017 -27.240 1.00 0.00 C ATOM 1018 O SER A 66 -8.816 11.206 -27.473 1.00 0.00 O ATOM 1019 CB SER A 66 -11.555 9.643 -26.934 1.00 0.00 C ATOM 1020 OG SER A 66 -11.860 11.034 -26.885 1.00 0.00 O ATOM 0 H SER A 66 -10.675 7.380 -27.212 1.00 0.00 H new ATOM 0 HA SER A 66 -10.492 9.742 -28.799 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.413 9.100 -27.330 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.384 9.276 -25.922 1.00 0.00 H new ATOM 0 HG SER A 66 -12.652 11.176 -26.326 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.222 9.242 -26.567 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.047 9.784 -25.971 1.00 0.00 C ATOM 1028 C GLU A 67 -5.968 9.866 -27.022 1.00 0.00 C ATOM 1029 O GLU A 67 -5.253 10.858 -27.099 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.594 8.946 -24.777 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.642 8.790 -23.704 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.138 8.169 -22.425 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.704 8.907 -21.529 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.209 6.941 -22.270 1.00 0.00 O ATOM 0 H GLU A 67 -8.349 8.239 -26.429 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.261 10.783 -25.590 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.301 7.957 -25.130 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.707 9.405 -24.340 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.061 9.770 -23.477 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.456 8.179 -24.094 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.872 8.816 -27.854 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.893 8.793 -28.957 1.00 0.00 C ATOM 1043 C ILE A 68 -5.115 9.970 -29.883 1.00 0.00 C ATOM 1044 O ILE A 68 -4.158 10.630 -30.278 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.950 7.527 -29.837 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.361 6.304 -29.040 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.598 7.314 -30.494 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.098 4.987 -29.702 1.00 0.00 C ATOM 0 H ILE A 68 -6.453 7.980 -27.787 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.923 8.825 -28.460 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.710 7.673 -30.605 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.838 6.322 -28.084 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.426 6.375 -28.821 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.633 6.420 -31.117 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.354 8.178 -31.112 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.835 7.191 -29.725 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.428 4.179 -29.049 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.644 4.938 -30.644 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.030 4.884 -29.895 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.386 10.229 -30.234 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.706 11.371 -31.077 1.00 0.00 C ATOM 1062 C GLU A 69 -6.176 12.626 -30.470 1.00 0.00 C ATOM 1063 O GLU A 69 -5.448 13.340 -31.114 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.195 11.534 -31.314 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.806 10.499 -32.205 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.278 10.702 -32.369 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.043 10.251 -31.500 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.708 11.309 -33.354 1.00 0.00 O ATOM 0 H GLU A 69 -7.189 9.669 -29.948 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.234 11.180 -32.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.706 11.512 -30.352 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.374 12.518 -31.748 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.324 10.531 -33.182 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.620 9.508 -31.791 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.500 12.845 -29.203 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.087 14.050 -28.465 1.00 0.00 C ATOM 1077 C ASP A 70 -4.580 14.228 -28.491 1.00 0.00 C ATOM 1078 O ASP A 70 -4.079 15.337 -28.722 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.609 14.013 -27.036 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.238 15.235 -26.235 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.843 16.311 -26.459 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.351 15.137 -25.343 1.00 0.00 O ATOM 0 H ASP A 70 -7.058 12.195 -28.649 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.526 14.913 -28.965 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.694 13.915 -27.055 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.218 13.127 -26.536 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.875 13.124 -28.308 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.427 13.089 -28.418 1.00 0.00 C ATOM 1089 C LEU A 71 -1.990 13.631 -29.772 1.00 0.00 C ATOM 1090 O LEU A 71 -1.175 14.543 -29.856 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.910 11.651 -28.251 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.360 11.248 -26.883 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.426 11.307 -25.805 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.752 9.865 -26.974 1.00 0.00 C ATOM 0 H LEU A 71 -4.293 12.223 -28.078 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.008 13.712 -27.628 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.725 10.971 -28.498 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.125 11.489 -28.989 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.588 11.962 -26.597 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.993 11.013 -24.849 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.813 12.323 -25.731 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.239 10.627 -26.060 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.359 9.575 -25.999 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.516 9.152 -27.284 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.057 9.871 -27.704 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.597 13.120 -30.816 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.251 13.505 -32.163 1.00 0.00 C ATOM 1108 C ILE A 72 -2.668 14.965 -32.438 1.00 0.00 C ATOM 1109 O ILE A 72 -1.936 15.723 -33.081 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.912 12.538 -33.178 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.326 11.138 -33.003 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.714 13.015 -34.619 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.239 10.046 -33.455 1.00 0.00 C ATOM 0 H ILE A 72 -3.343 12.427 -30.756 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.169 13.441 -32.279 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.984 12.516 -32.982 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.391 11.072 -33.560 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.082 10.984 -31.952 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.190 12.313 -35.303 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.162 14.001 -34.741 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.648 13.071 -34.841 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.756 9.081 -33.301 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.165 10.085 -32.881 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.463 10.174 -34.514 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.812 15.364 -31.886 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.357 16.701 -32.103 1.00 0.00 C ATOM 1127 C ARG A 73 -3.419 17.770 -31.573 1.00 0.00 C ATOM 1128 O ARG A 73 -3.195 18.795 -32.226 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.730 16.870 -31.448 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.733 15.836 -31.882 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.136 15.901 -33.345 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.895 17.115 -33.677 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.243 17.173 -33.704 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -9.964 16.123 -33.310 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -9.860 18.282 -34.099 1.00 0.00 N ATOM 0 H ARG A 73 -4.383 14.774 -31.280 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.467 16.819 -33.181 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.616 16.822 -30.365 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.117 17.861 -31.684 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.323 14.847 -31.678 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.629 15.942 -31.270 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.241 15.858 -33.965 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.736 15.025 -33.590 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.373 17.962 -33.900 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.497 15.275 -32.988 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.983 16.167 -33.331 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.314 19.095 -34.384 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.879 18.320 -34.117 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.832 17.524 -30.410 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.965 18.511 -29.812 1.00 0.00 C ATOM 1151 C LEU A 74 -0.540 18.411 -30.371 1.00 0.00 C ATOM 1152 O LEU A 74 0.268 19.305 -30.189 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.040 18.481 -28.258 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.456 17.270 -27.521 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.023 17.472 -27.233 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.219 17.011 -26.236 1.00 0.00 C ATOM 0 H LEU A 74 -2.942 16.663 -29.875 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.326 19.500 -30.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.535 19.372 -27.884 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.089 18.567 -27.975 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.559 16.397 -28.166 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.414 16.600 -26.710 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.562 17.604 -28.171 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.155 18.357 -26.611 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.791 16.148 -25.726 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.150 17.886 -25.589 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.265 16.813 -26.468 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.248 17.333 -31.096 1.00 0.00 N ATOM 1169 CA LYS A 75 1.046 17.206 -31.760 1.00 0.00 C ATOM 1170 C LYS A 75 1.005 17.877 -33.114 1.00 0.00 C ATOM 1171 O LYS A 75 2.018 18.043 -33.782 1.00 0.00 O ATOM 1172 CB LYS A 75 1.547 15.752 -31.866 1.00 0.00 C ATOM 1173 CG LYS A 75 2.446 15.310 -30.705 1.00 0.00 C ATOM 1174 CD LYS A 75 1.713 15.231 -29.391 1.00 0.00 C ATOM 1175 CE LYS A 75 2.660 15.040 -28.219 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.547 13.877 -28.386 1.00 0.00 N ATOM 0 H LYS A 75 -0.880 16.545 -31.237 1.00 0.00 H new ATOM 0 HA LYS A 75 1.774 17.716 -31.129 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.686 15.086 -31.918 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.096 15.636 -32.800 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.874 14.334 -30.935 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.277 16.009 -30.610 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.134 16.143 -29.244 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.003 14.404 -29.421 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.265 15.938 -28.097 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.079 14.920 -27.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.688 13.413 -27.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.115 13.204 -29.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.465 14.192 -28.759 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.172 18.308 -33.491 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.363 19.041 -34.714 1.00 0.00 C ATOM 1192 C CYS A 76 0.014 20.511 -34.473 1.00 0.00 C ATOM 1193 O CYS A 76 0.046 21.326 -35.383 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.813 18.901 -35.164 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.225 19.633 -36.765 1.00 0.00 S ATOM 0 H CYS A 76 -1.027 18.159 -32.955 1.00 0.00 H new ATOM 0 HA CYS A 76 0.274 18.646 -35.505 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.060 17.840 -35.198 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.452 19.353 -34.406 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.489 19.456 -37.010 1.00 0.00 H new ATOM 1201 N LEU A 77 0.310 20.826 -33.219 1.00 0.00 N ATOM 1202 CA LEU A 77 0.749 22.144 -32.826 1.00 0.00 C ATOM 1203 C LEU A 77 2.264 22.232 -32.990 1.00 0.00 C ATOM 1204 O LEU A 77 2.874 23.291 -32.798 1.00 0.00 O ATOM 1205 CB LEU A 77 0.377 22.401 -31.366 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.107 22.228 -30.999 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.350 22.581 -29.542 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.004 23.045 -31.914 1.00 0.00 C ATOM 0 H LEU A 77 0.249 20.164 -32.445 1.00 0.00 H new ATOM 0 HA LEU A 77 0.264 22.892 -33.453 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.965 21.729 -30.740 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.676 23.418 -31.111 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.362 21.178 -31.140 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.406 22.451 -29.307 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.753 21.928 -28.905 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.065 23.618 -29.366 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.045 22.900 -31.627 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.748 24.101 -31.827 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.863 22.721 -32.945 1.00 0.00 H new ATOM 1220 N ASP A 78 2.861 21.095 -33.292 1.00 0.00 N ATOM 1221 CA ASP A 78 4.301 20.994 -33.536 1.00 0.00 C ATOM 1222 C ASP A 78 4.562 21.294 -34.974 1.00 0.00 C ATOM 1223 O ASP A 78 5.520 21.981 -35.331 1.00 0.00 O ATOM 1224 CB ASP A 78 4.784 19.587 -33.260 1.00 0.00 C ATOM 1225 CG ASP A 78 6.300 19.473 -33.290 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.942 19.715 -32.255 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.877 19.128 -34.347 1.00 0.00 O ATOM 0 H ASP A 78 2.365 20.208 -33.377 1.00 0.00 H new ATOM 0 HA ASP A 78 4.821 21.695 -32.883 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.418 19.266 -32.285 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.358 18.909 -33.999 1.00 0.00 H new ATOM 1232 N LEU A 79 3.694 20.766 -35.793 1.00 0.00 N ATOM 1233 CA LEU A 79 3.771 20.954 -37.229 1.00 0.00 C ATOM 1234 C LEU A 79 3.141 22.331 -37.615 1.00 0.00 C ATOM 1235 O LEU A 79 2.671 23.049 -36.721 1.00 0.00 O ATOM 1236 CB LEU A 79 3.093 19.738 -37.909 1.00 0.00 C ATOM 1237 CG LEU A 79 1.599 19.534 -37.665 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.757 20.382 -38.591 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.236 18.089 -37.788 1.00 0.00 C ATOM 0 H LEU A 79 2.908 20.190 -35.490 1.00 0.00 H new ATOM 0 HA LEU A 79 4.802 20.992 -37.580 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.249 19.824 -38.984 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.613 18.837 -37.582 1.00 0.00 H new ATOM 0 HG LEU A 79 1.386 19.858 -36.646 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.299 20.207 -38.385 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.989 21.435 -38.431 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.974 20.116 -39.626 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.168 17.966 -37.611 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.480 17.736 -38.790 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.795 17.510 -37.053 1.00 0.00 H new ATOM 1251 N PRO A 80 3.156 22.752 -38.920 1.00 0.00 N ATOM 1252 CA PRO A 80 2.551 24.026 -39.323 1.00 0.00 C ATOM 1253 C PRO A 80 1.020 24.013 -39.187 1.00 0.00 C ATOM 1254 O PRO A 80 0.469 24.640 -38.276 1.00 0.00 O ATOM 1255 CB PRO A 80 2.960 24.214 -40.796 1.00 0.00 C ATOM 1256 CG PRO A 80 3.891 23.091 -41.127 1.00 0.00 C ATOM 1257 CD PRO A 80 3.764 22.049 -40.062 1.00 0.00 C ATOM 0 HA PRO A 80 2.894 24.840 -38.684 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.085 24.197 -41.446 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.448 25.178 -40.943 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.647 22.670 -42.102 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.918 23.453 -41.184 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.140 21.219 -40.393 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.736 21.632 -39.798 1.00 0.00 H new ATOM 1265 N ASP A 81 0.352 23.282 -40.085 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.103 23.123 -40.090 1.00 0.00 C ATOM 1267 C ASP A 81 -1.505 22.169 -41.194 1.00 0.00 C ATOM 1268 O ASP A 81 -0.966 22.237 -42.296 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.818 24.460 -40.298 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.317 24.313 -40.431 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -3.986 23.932 -39.444 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -3.853 24.585 -41.526 1.00 0.00 O ATOM 0 H ASP A 81 0.816 22.777 -40.840 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.397 22.726 -39.118 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.596 25.119 -39.459 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.425 24.941 -41.194 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.418 21.283 -40.893 1.00 0.00 N ATOM 1278 CA ILE A 82 -2.940 20.330 -41.828 1.00 0.00 C ATOM 1279 C ILE A 82 -4.340 19.945 -41.428 1.00 0.00 C ATOM 1280 O ILE A 82 -4.597 19.554 -40.282 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.059 19.034 -41.988 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -2.828 17.946 -42.769 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.566 18.510 -40.648 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.058 16.665 -42.967 1.00 0.00 C ATOM 0 H ILE A 82 -2.829 21.205 -39.963 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.933 20.823 -42.800 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.174 19.307 -42.563 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.754 17.722 -42.240 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.106 18.344 -43.745 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.963 17.616 -40.807 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.961 19.274 -40.159 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.420 18.264 -40.017 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.670 15.955 -43.524 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.144 16.872 -43.524 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.802 16.240 -41.996 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.240 20.141 -42.328 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.586 19.661 -42.177 1.00 0.00 C ATOM 1298 C ASP A 83 -6.623 18.172 -42.476 1.00 0.00 C ATOM 1299 O ASP A 83 -6.578 17.757 -43.638 1.00 0.00 O ATOM 1300 CB ASP A 83 -7.551 20.442 -43.078 1.00 0.00 C ATOM 1301 CG ASP A 83 -8.940 19.824 -43.193 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.536 19.407 -42.167 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -9.485 19.790 -44.328 1.00 0.00 O ATOM 0 H ASP A 83 -5.070 20.642 -43.200 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.913 19.819 -41.149 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.648 21.457 -42.693 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.117 20.520 -44.075 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.605 17.382 -41.436 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.650 15.939 -41.567 1.00 0.00 C ATOM 1310 C PHE A 84 -7.758 15.364 -40.710 1.00 0.00 C ATOM 1311 O PHE A 84 -8.273 16.027 -39.798 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.302 15.287 -41.159 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.934 15.444 -39.691 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.273 16.565 -39.253 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.263 14.464 -38.761 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.938 16.722 -37.922 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.932 14.612 -37.427 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.269 15.744 -37.008 1.00 0.00 C ATOM 0 H PHE A 84 -6.559 17.714 -40.473 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.842 15.716 -42.617 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.342 14.224 -41.397 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.507 15.720 -41.766 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.011 17.337 -39.961 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.784 13.575 -39.085 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.417 17.611 -37.597 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.193 13.842 -36.716 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.009 15.865 -35.967 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.100 14.145 -40.998 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.073 13.389 -40.250 1.00 0.00 C ATOM 1330 C ASP A 85 -8.448 12.065 -39.885 1.00 0.00 C ATOM 1331 O ASP A 85 -7.616 11.556 -40.645 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.324 13.159 -41.105 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.327 12.250 -40.446 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -11.689 12.493 -39.284 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.807 11.301 -41.101 1.00 0.00 O ATOM 0 H ASP A 85 -7.701 13.629 -41.782 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.367 13.931 -39.351 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.795 14.119 -41.316 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.029 12.732 -42.063 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.771 11.534 -38.733 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.259 10.267 -38.344 1.00 0.00 C ATOM 1342 C LEU A 86 -9.338 9.479 -37.632 1.00 0.00 C ATOM 1343 O LEU A 86 -10.270 10.055 -37.041 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.063 10.414 -37.397 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.393 10.695 -35.914 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.215 10.408 -35.037 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.871 12.116 -35.685 1.00 0.00 C ATOM 0 H LEU A 86 -9.391 11.972 -38.052 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.935 9.749 -39.247 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.472 9.500 -37.448 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.432 11.223 -37.766 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.210 10.024 -35.649 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.475 10.614 -33.999 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.932 9.360 -35.139 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.378 11.040 -35.334 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.089 12.260 -34.627 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.094 12.815 -35.994 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.774 12.295 -36.269 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.222 8.195 -37.696 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.069 7.315 -36.975 1.00 0.00 C ATOM 1361 C ASN A 87 -9.239 6.317 -36.215 1.00 0.00 C ATOM 1362 O ASN A 87 -8.457 5.571 -36.811 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.047 6.604 -37.907 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.860 5.553 -37.191 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.398 4.342 -37.240 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.911 5.834 -36.615 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.520 7.721 -38.264 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.655 7.902 -36.268 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.718 7.338 -38.354 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.494 6.139 -38.723 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.241 6.799 -36.599 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.451 5.102 -36.154 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.367 6.329 -34.919 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.706 5.363 -34.086 1.00 0.00 C ATOM 1375 C ILE A 88 -9.586 4.131 -33.960 1.00 0.00 C ATOM 1376 O ILE A 88 -10.802 4.240 -33.789 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.432 5.907 -32.668 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.500 7.122 -32.694 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -7.825 4.807 -31.803 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.119 6.809 -33.194 1.00 0.00 C ATOM 0 H ILE A 88 -9.932 7.008 -34.409 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.751 5.126 -34.554 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.384 6.229 -32.245 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.940 7.894 -33.326 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.428 7.536 -31.688 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.633 5.195 -30.803 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.519 3.969 -31.740 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.888 4.470 -32.247 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.515 7.716 -33.185 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.659 6.060 -32.549 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.179 6.423 -34.212 1.00 0.00 H new ATOM 1392 N MET A 89 -8.985 2.993 -34.067 1.00 0.00 N ATOM 1393 CA MET A 89 -9.644 1.740 -33.894 1.00 0.00 C ATOM 1394 C MET A 89 -8.622 0.796 -33.315 1.00 0.00 C ATOM 1395 O MET A 89 -7.458 1.115 -33.279 1.00 0.00 O ATOM 1396 CB MET A 89 -10.171 1.190 -35.241 1.00 0.00 C ATOM 1397 CG MET A 89 -9.098 0.590 -36.155 1.00 0.00 C ATOM 1398 SD MET A 89 -9.726 0.140 -37.785 1.00 0.00 S ATOM 1399 CE MET A 89 -9.965 1.734 -38.529 1.00 0.00 C ATOM 0 H MET A 89 -7.992 2.906 -34.284 1.00 0.00 H new ATOM 0 HA MET A 89 -10.507 1.852 -33.238 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.922 0.427 -35.037 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.673 1.997 -35.775 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.286 1.307 -36.271 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.676 -0.295 -35.678 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.773 1.668 -39.600 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.991 2.063 -38.364 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.278 2.451 -38.081 1.00 0.00 H new ATOM 1409 N THR A 90 -9.045 -0.285 -32.821 1.00 0.00 N ATOM 1410 CA THR A 90 -8.182 -1.329 -32.369 1.00 0.00 C ATOM 1411 C THR A 90 -7.628 -2.117 -33.568 1.00 0.00 C ATOM 1412 O THR A 90 -8.299 -2.239 -34.584 1.00 0.00 O ATOM 1413 CB THR A 90 -9.025 -2.215 -31.474 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.400 -2.003 -31.861 1.00 0.00 O ATOM 1415 CG2 THR A 90 -8.865 -1.809 -30.033 1.00 0.00 C ATOM 0 H THR A 90 -10.037 -0.495 -32.707 1.00 0.00 H new ATOM 0 HA THR A 90 -7.322 -0.936 -31.826 1.00 0.00 H new ATOM 0 HB THR A 90 -8.723 -3.257 -31.577 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.851 -2.868 -31.953 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.477 -2.455 -29.403 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.819 -1.904 -29.742 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.184 -0.774 -29.909 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.400 -2.612 -33.451 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.739 -3.420 -34.505 1.00 0.00 C ATOM 1425 C VAL A 91 -6.622 -4.614 -34.893 1.00 0.00 C ATOM 1426 O VAL A 91 -6.804 -4.925 -36.083 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.374 -3.953 -33.989 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.752 -4.959 -34.947 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.405 -2.831 -33.761 1.00 0.00 C ATOM 0 H VAL A 91 -5.821 -2.471 -32.623 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.582 -2.784 -35.376 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.580 -4.455 -33.044 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.799 -5.304 -34.545 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.424 -5.809 -35.069 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.587 -4.486 -35.915 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.459 -3.235 -33.400 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.239 -2.298 -34.697 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.812 -2.144 -33.020 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.195 -5.225 -33.880 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.083 -6.372 -34.012 1.00 0.00 C ATOM 1441 C ASP A 92 -9.288 -6.009 -34.859 1.00 0.00 C ATOM 1442 O ASP A 92 -9.701 -6.758 -35.736 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.518 -6.823 -32.613 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.560 -7.908 -32.607 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -9.243 -9.064 -32.912 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.720 -7.625 -32.270 1.00 0.00 O ATOM 0 H ASP A 92 -7.056 -4.934 -32.912 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.560 -7.189 -34.509 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.641 -7.175 -32.069 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.905 -5.961 -32.070 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.768 -4.802 -34.664 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.939 -4.310 -35.366 1.00 0.00 C ATOM 1453 C ASP A 93 -10.562 -3.671 -36.683 1.00 0.00 C ATOM 1454 O ASP A 93 -11.420 -3.288 -37.477 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.765 -3.357 -34.500 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.455 -4.075 -33.357 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.505 -4.700 -33.579 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -11.962 -4.027 -32.212 1.00 0.00 O ATOM 0 H ASP A 93 -9.359 -4.130 -34.014 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.569 -5.172 -35.584 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.116 -2.578 -34.099 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.512 -2.861 -35.119 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.287 -3.584 -36.923 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.775 -3.056 -38.145 1.00 0.00 C ATOM 1465 C TYR A 94 -8.642 -4.122 -39.196 1.00 0.00 C ATOM 1466 O TYR A 94 -9.314 -4.073 -40.229 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.446 -2.355 -37.913 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.704 -1.930 -39.165 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -7.178 -0.912 -39.966 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.506 -2.539 -39.520 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.487 -0.510 -41.086 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.809 -2.146 -40.644 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.306 -1.130 -41.422 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.616 -0.717 -42.541 1.00 0.00 O ATOM 0 H TYR A 94 -8.567 -3.883 -36.265 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.492 -2.322 -38.513 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.623 -1.472 -37.300 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.801 -3.019 -37.337 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.106 -0.423 -39.710 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.113 -3.335 -38.904 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.871 0.291 -41.700 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.882 -2.633 -40.909 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.802 -1.254 -42.640 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.807 -5.101 -38.924 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.508 -6.155 -39.896 1.00 0.00 C ATOM 1486 C PHE A 95 -8.727 -6.961 -40.283 1.00 0.00 C ATOM 1487 O PHE A 95 -8.801 -7.507 -41.367 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.400 -7.075 -39.421 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.029 -6.471 -39.471 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.519 -5.985 -40.669 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.234 -6.413 -38.340 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.249 -5.453 -40.731 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.969 -5.881 -38.402 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.475 -5.402 -39.595 1.00 0.00 C ATOM 0 H PHE A 95 -7.316 -5.198 -38.035 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.161 -5.635 -40.789 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.612 -7.380 -38.396 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.408 -7.978 -40.031 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.125 -6.025 -41.562 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.611 -6.789 -37.401 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.863 -5.078 -41.667 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.359 -5.838 -37.512 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.479 -4.986 -39.639 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.694 -6.987 -39.406 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.955 -7.678 -39.661 1.00 0.00 C ATOM 1506 C ARG A 96 -11.748 -7.024 -40.816 1.00 0.00 C ATOM 1507 O ARG A 96 -12.721 -7.593 -41.320 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.780 -7.794 -38.363 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.188 -6.481 -37.716 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.507 -5.931 -38.226 1.00 0.00 C ATOM 1511 NE ARG A 96 -13.813 -4.644 -37.589 1.00 0.00 N ATOM 1512 CZ ARG A 96 -14.906 -4.369 -36.856 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.787 -5.324 -36.578 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -15.091 -3.143 -36.382 1.00 0.00 N ATOM 0 H ARG A 96 -9.642 -6.535 -38.493 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.728 -8.691 -39.993 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.682 -8.366 -38.579 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.203 -8.370 -37.639 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.257 -6.624 -36.638 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.405 -5.742 -37.890 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.460 -5.805 -39.308 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.307 -6.643 -38.022 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.136 -3.891 -37.714 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.636 -6.273 -36.921 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.614 -5.109 -36.021 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.405 -2.413 -36.574 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.919 -2.931 -35.826 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.325 -5.829 -41.219 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.948 -5.128 -42.332 1.00 0.00 C ATOM 1530 C GLN A 97 -11.046 -5.255 -43.559 1.00 0.00 C ATOM 1531 O GLN A 97 -11.512 -5.443 -44.683 1.00 0.00 O ATOM 1532 CB GLN A 97 -12.078 -3.635 -42.017 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.639 -3.315 -40.651 1.00 0.00 C ATOM 1534 CD GLN A 97 -12.546 -1.842 -40.335 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -11.407 -1.459 -39.879 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -13.463 -1.061 -40.572 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.550 -5.326 -40.788 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.933 -5.561 -42.509 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.094 -3.174 -42.106 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.716 -3.174 -42.772 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.681 -3.631 -40.603 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.098 -3.883 -39.894 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.350 -1.411 -40.933 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.338 -0.062 -40.408 1.00 0.00 H new