USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 963 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.128 USER MOD Single : A 17 GLN : amide:sc= 0.374 X(o=0.37,f=-0.086) USER MOD Single : A 24 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 177:sc= -0.884 (180deg=-0.93) USER MOD Single : A 32 MET CE :methyl -161:sc= -0.387 (180deg=-0.987) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -117:sc= -3.58! (180deg=-8.43!) USER MOD Single : A 46 CYS SG : rot 87:sc= 0.316 USER MOD Single : A 49 TYR OH : rot -112:sc= 0.0228 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.172 F(o=-2.8!,f=-0.17) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-1.1) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 160:sc= -0.925 USER MOD Single : A 65 TYR OH : rot -165:sc= 0.0109 USER MOD Single : A 66 MET CE :methyl 168:sc= -4.01! (180deg=-4.8!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.237 F(o=-1.5!,f=0.24) USER MOD Single : A 81 ASN : amide:sc= -6.47! C(o=-6.5!,f=-7.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -1.07 F(o=-1.7,f=-1.1) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.328 X(o=-0.33,f=0.051) USER MOD Single : A 131 HIS : no HD1:sc= -0.778 K(o=-0.78,f=-3.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 1.861 4.528 18.083 1.00 0.00 N ATOM 96 CA PRO A 7 3.100 5.307 18.177 1.00 0.00 C ATOM 97 C PRO A 7 3.737 5.576 16.824 1.00 0.00 C ATOM 98 O PRO A 7 4.786 6.214 16.733 1.00 0.00 O ATOM 99 CB PRO A 7 4.026 4.429 19.028 1.00 0.00 C ATOM 100 CG PRO A 7 3.159 3.348 19.585 1.00 0.00 C ATOM 101 CD PRO A 7 2.044 3.166 18.599 1.00 0.00 C ATOM 0 HA PRO A 7 2.911 6.293 18.602 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.833 4.012 18.425 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.491 5.008 19.826 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.722 2.423 19.713 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.772 3.624 20.566 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.310 2.464 17.809 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.139 2.785 19.073 1.00 0.00 H new ATOM 109 N VAL A 8 3.099 5.085 15.782 1.00 0.00 N ATOM 110 CA VAL A 8 3.596 5.261 14.419 1.00 0.00 C ATOM 111 C VAL A 8 2.573 5.973 13.538 1.00 0.00 C ATOM 112 O VAL A 8 1.383 5.659 13.574 1.00 0.00 O ATOM 113 CB VAL A 8 3.952 3.906 13.776 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.503 4.106 12.371 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.942 3.146 14.642 1.00 0.00 C ATOM 0 H VAL A 8 2.229 4.556 15.846 1.00 0.00 H new ATOM 0 HA VAL A 8 4.494 5.875 14.490 1.00 0.00 H new ATOM 0 HB VAL A 8 3.041 3.312 13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.748 3.138 11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.754 4.603 11.754 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.402 4.721 12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.180 2.192 14.171 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.853 3.733 14.754 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.504 2.966 15.624 1.00 0.00 H new ATOM 125 N THR A 9 3.048 6.932 12.746 1.00 0.00 N ATOM 126 CA THR A 9 2.184 7.692 11.848 1.00 0.00 C ATOM 127 C THR A 9 2.927 8.076 10.573 1.00 0.00 C ATOM 128 O THR A 9 4.115 8.398 10.610 1.00 0.00 O ATOM 129 CB THR A 9 1.654 8.973 12.522 1.00 0.00 C ATOM 130 OG1 THR A 9 2.749 9.798 12.936 1.00 0.00 O ATOM 131 CG2 THR A 9 0.784 8.636 13.724 1.00 0.00 C ATOM 0 H THR A 9 4.031 7.201 12.709 1.00 0.00 H new ATOM 0 HA THR A 9 1.341 7.047 11.600 1.00 0.00 H new ATOM 0 HB THR A 9 1.046 9.512 11.795 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.404 10.610 13.362 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.423 9.557 14.181 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.065 8.034 13.401 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.370 8.075 14.452 1.00 0.00 H new ATOM 139 N ALA A 10 2.223 8.041 9.443 1.00 0.00 N ATOM 140 CA ALA A 10 2.822 8.386 8.160 1.00 0.00 C ATOM 141 C ALA A 10 2.727 9.884 7.888 1.00 0.00 C ATOM 142 O ALA A 10 2.203 10.642 8.704 1.00 0.00 O ATOM 143 CB ALA A 10 2.155 7.603 7.040 1.00 0.00 C ATOM 0 H ALA A 10 1.239 7.777 9.392 1.00 0.00 H new ATOM 0 HA ALA A 10 3.878 8.119 8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.612 7.870 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.282 6.535 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.092 7.842 7.012 1.00 0.00 H new ATOM 149 N SER A 11 3.239 10.302 6.733 1.00 0.00 N ATOM 150 CA SER A 11 3.215 11.710 6.346 1.00 0.00 C ATOM 151 C SER A 11 3.340 11.856 4.832 1.00 0.00 C ATOM 152 O SER A 11 3.700 10.909 4.139 1.00 0.00 O ATOM 153 CB SER A 11 4.347 12.472 7.038 1.00 0.00 C ATOM 154 OG SER A 11 4.321 13.847 6.697 1.00 0.00 O ATOM 0 H SER A 11 3.676 9.685 6.048 1.00 0.00 H new ATOM 0 HA SER A 11 2.260 12.132 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.257 12.361 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.307 12.042 6.752 1.00 0.00 H new ATOM 0 HG SER A 11 5.053 14.311 7.154 1.00 0.00 H new ATOM 160 N LEU A 12 3.039 13.046 4.323 1.00 0.00 N ATOM 161 CA LEU A 12 3.121 13.299 2.890 1.00 0.00 C ATOM 162 C LEU A 12 4.468 13.911 2.515 1.00 0.00 C ATOM 163 O LEU A 12 4.827 14.987 2.992 1.00 0.00 O ATOM 164 CB LEU A 12 1.983 14.221 2.449 1.00 0.00 C ATOM 165 CG LEU A 12 1.784 14.323 0.936 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.597 12.940 0.329 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.592 15.212 0.618 1.00 0.00 C ATOM 0 H LEU A 12 2.738 13.847 4.879 1.00 0.00 H new ATOM 0 HA LEU A 12 3.026 12.344 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.055 13.869 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.171 15.219 2.844 1.00 0.00 H new ATOM 0 HG LEU A 12 2.676 14.772 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.457 13.031 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.479 12.332 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.721 12.465 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.463 15.275 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.307 14.789 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.764 16.210 1.022 1.00 0.00 H new ATOM 179 N VAL A 13 5.207 13.213 1.656 1.00 0.00 N ATOM 180 CA VAL A 13 6.516 13.681 1.214 1.00 0.00 C ATOM 181 C VAL A 13 6.380 14.757 0.140 1.00 0.00 C ATOM 182 O VAL A 13 5.368 14.822 -0.560 1.00 0.00 O ATOM 183 CB VAL A 13 7.366 12.518 0.661 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.786 12.979 0.365 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.374 11.353 1.640 1.00 0.00 C ATOM 0 H VAL A 13 4.921 12.321 1.253 1.00 0.00 H new ATOM 0 HA VAL A 13 7.016 14.105 2.085 1.00 0.00 H new ATOM 0 HB VAL A 13 6.918 12.181 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.367 12.142 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.762 13.779 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.248 13.346 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.978 10.541 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.796 11.679 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.354 11.003 1.797 1.00 0.00 H new ATOM 195 N ALA A 14 7.402 15.600 0.016 1.00 0.00 N ATOM 196 CA ALA A 14 7.395 16.672 -0.973 1.00 0.00 C ATOM 197 C ALA A 14 7.172 16.119 -2.377 1.00 0.00 C ATOM 198 O ALA A 14 7.469 14.957 -2.650 1.00 0.00 O ATOM 199 CB ALA A 14 8.697 17.456 -0.912 1.00 0.00 C ATOM 0 H ALA A 14 8.245 15.561 0.589 1.00 0.00 H new ATOM 0 HA ALA A 14 6.570 17.344 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.677 18.253 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.814 17.890 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.534 16.788 -1.118 1.00 0.00 H new ATOM 205 N GLU A 15 6.650 16.960 -3.262 1.00 0.00 N ATOM 206 CA GLU A 15 6.382 16.554 -4.637 1.00 0.00 C ATOM 207 C GLU A 15 7.675 16.386 -5.429 1.00 0.00 C ATOM 208 O GLU A 15 7.727 15.629 -6.398 1.00 0.00 O ATOM 209 CB GLU A 15 5.483 17.583 -5.327 1.00 0.00 C ATOM 210 CG GLU A 15 6.094 18.973 -5.396 1.00 0.00 C ATOM 211 CD GLU A 15 5.201 19.969 -6.111 1.00 0.00 C ATOM 212 OE1 GLU A 15 4.354 20.595 -5.440 1.00 0.00 O ATOM 213 OE2 GLU A 15 5.348 20.122 -7.342 1.00 0.00 O ATOM 0 H GLU A 15 6.404 17.927 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 15 5.873 15.591 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.263 17.241 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.533 17.638 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.292 19.329 -4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.054 18.918 -5.909 1.00 0.00 H new ATOM 220 N ALA A 16 8.719 17.096 -5.011 1.00 0.00 N ATOM 221 CA ALA A 16 10.007 17.031 -5.691 1.00 0.00 C ATOM 222 C ALA A 16 10.943 16.020 -5.034 1.00 0.00 C ATOM 223 O ALA A 16 12.066 15.819 -5.495 1.00 0.00 O ATOM 224 CB ALA A 16 10.656 18.405 -5.719 1.00 0.00 C ATOM 0 H ALA A 16 8.698 17.722 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 16 9.825 16.698 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.617 18.343 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.008 19.103 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.809 18.756 -4.698 1.00 0.00 H new ATOM 230 N GLN A 17 10.483 15.391 -3.956 1.00 0.00 N ATOM 231 CA GLN A 17 11.295 14.406 -3.246 1.00 0.00 C ATOM 232 C GLN A 17 10.606 13.045 -3.196 1.00 0.00 C ATOM 233 O GLN A 17 11.236 12.034 -2.890 1.00 0.00 O ATOM 234 CB GLN A 17 11.587 14.890 -1.825 1.00 0.00 C ATOM 235 CG GLN A 17 12.504 16.101 -1.769 1.00 0.00 C ATOM 236 CD GLN A 17 13.901 15.794 -2.269 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.782 15.421 -1.495 1.00 0.00 O ATOM 238 NE2 GLN A 17 14.108 15.945 -3.571 1.00 0.00 N ATOM 0 H GLN A 17 9.557 15.544 -3.556 1.00 0.00 H new ATOM 0 HA GLN A 17 12.232 14.292 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.646 15.135 -1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.040 14.076 -1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.076 16.905 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.560 16.463 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.348 16.257 -4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.027 15.749 -3.967 1.00 0.00 H new ATOM 247 N ARG A 18 9.312 13.025 -3.500 1.00 0.00 N ATOM 248 CA ARG A 18 8.543 11.784 -3.480 1.00 0.00 C ATOM 249 C ARG A 18 8.935 10.869 -4.636 1.00 0.00 C ATOM 250 O ARG A 18 8.707 9.659 -4.584 1.00 0.00 O ATOM 251 CB ARG A 18 7.044 12.084 -3.537 1.00 0.00 C ATOM 252 CG ARG A 18 6.624 12.868 -4.770 1.00 0.00 C ATOM 253 CD ARG A 18 5.114 13.028 -4.837 1.00 0.00 C ATOM 254 NE ARG A 18 4.436 11.750 -5.026 1.00 0.00 N ATOM 255 CZ ARG A 18 3.129 11.632 -5.235 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.360 12.711 -5.279 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.589 10.431 -5.402 1.00 0.00 N ATOM 0 H ARG A 18 8.775 13.851 -3.763 1.00 0.00 H new ATOM 0 HA ARG A 18 8.770 11.269 -2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.493 11.144 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.761 12.645 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.095 13.851 -4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.978 12.357 -5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.758 13.495 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.857 13.699 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 18 4.997 10.899 -4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.771 13.636 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.357 12.616 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.177 9.598 -5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.586 10.341 -5.562 1.00 0.00 H new ATOM 271 N LEU A 19 9.526 11.446 -5.677 1.00 0.00 N ATOM 272 CA LEU A 19 9.940 10.671 -6.842 1.00 0.00 C ATOM 273 C LEU A 19 11.234 9.914 -6.563 1.00 0.00 C ATOM 274 O LEU A 19 11.579 8.969 -7.272 1.00 0.00 O ATOM 275 CB LEU A 19 10.123 11.580 -8.059 1.00 0.00 C ATOM 276 CG LEU A 19 11.434 12.375 -8.099 1.00 0.00 C ATOM 277 CD1 LEU A 19 11.531 13.176 -9.388 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.545 13.293 -6.893 1.00 0.00 C ATOM 0 H LEU A 19 9.729 12.444 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 19 9.153 9.948 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.062 10.969 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.291 12.283 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 19 12.263 11.668 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.467 13.734 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.502 12.498 -10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.693 13.871 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.483 13.847 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.710 13.993 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.523 12.698 -5.980 1.00 0.00 H new ATOM 290 N ASP A 20 11.945 10.337 -5.523 1.00 0.00 N ATOM 291 CA ASP A 20 13.200 9.700 -5.145 1.00 0.00 C ATOM 292 C ASP A 20 13.071 9.061 -3.771 1.00 0.00 C ATOM 293 O ASP A 20 13.946 8.318 -3.334 1.00 0.00 O ATOM 294 CB ASP A 20 14.337 10.721 -5.135 1.00 0.00 C ATOM 295 CG ASP A 20 15.703 10.064 -5.116 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.237 9.770 -6.207 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.242 9.844 -4.010 1.00 0.00 O ATOM 0 H ASP A 20 11.673 11.119 -4.927 1.00 0.00 H new ATOM 0 HA ASP A 20 13.428 8.927 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.256 11.360 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.235 11.366 -4.262 1.00 0.00 H new ATOM 302 N PHE A 21 11.963 9.357 -3.102 1.00 0.00 N ATOM 303 CA PHE A 21 11.701 8.820 -1.773 1.00 0.00 C ATOM 304 C PHE A 21 11.345 7.344 -1.862 1.00 0.00 C ATOM 305 O PHE A 21 11.805 6.531 -1.059 1.00 0.00 O ATOM 306 CB PHE A 21 10.560 9.585 -1.106 1.00 0.00 C ATOM 307 CG PHE A 21 10.613 9.567 0.394 1.00 0.00 C ATOM 308 CD1 PHE A 21 10.017 8.541 1.109 1.00 0.00 C ATOM 309 CD2 PHE A 21 11.256 10.578 1.090 1.00 0.00 C ATOM 310 CE1 PHE A 21 10.061 8.524 2.491 1.00 0.00 C ATOM 311 CE2 PHE A 21 11.305 10.567 2.471 1.00 0.00 C ATOM 312 CZ PHE A 21 10.706 9.538 3.172 1.00 0.00 C ATOM 0 H PHE A 21 11.229 9.968 -3.460 1.00 0.00 H new ATOM 0 HA PHE A 21 12.603 8.934 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.580 10.620 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.611 9.160 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.512 7.745 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.725 11.385 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.592 7.719 3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.810 11.361 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.742 9.527 4.251 1.00 0.00 H new ATOM 322 N LEU A 22 10.519 7.006 -2.846 1.00 0.00 N ATOM 323 CA LEU A 22 10.096 5.628 -3.051 1.00 0.00 C ATOM 324 C LEU A 22 11.303 4.724 -3.315 1.00 0.00 C ATOM 325 O LEU A 22 11.455 3.695 -2.664 1.00 0.00 O ATOM 326 CB LEU A 22 9.097 5.539 -4.211 1.00 0.00 C ATOM 327 CG LEU A 22 8.031 4.446 -4.077 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.669 3.065 -4.097 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.220 4.641 -2.806 1.00 0.00 C ATOM 0 H LEU A 22 10.129 7.670 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 22 9.603 5.284 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.596 6.502 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.652 5.371 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 22 7.357 4.523 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.894 2.305 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.201 2.924 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.370 2.976 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.469 3.855 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.882 4.595 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.727 5.613 -2.835 1.00 0.00 H new ATOM 341 N PRO A 23 12.180 5.091 -4.273 1.00 0.00 N ATOM 342 CA PRO A 23 13.372 4.297 -4.588 1.00 0.00 C ATOM 343 C PRO A 23 14.418 4.375 -3.480 1.00 0.00 C ATOM 344 O PRO A 23 15.343 3.568 -3.423 1.00 0.00 O ATOM 345 CB PRO A 23 13.902 4.939 -5.870 1.00 0.00 C ATOM 346 CG PRO A 23 13.418 6.345 -5.811 1.00 0.00 C ATOM 347 CD PRO A 23 12.082 6.293 -5.127 1.00 0.00 C ATOM 0 HA PRO A 23 13.142 3.237 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.990 4.896 -5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.526 4.427 -6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.115 6.975 -5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.328 6.769 -6.811 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.898 7.191 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.266 6.210 -5.845 1.00 0.00 H new ATOM 355 N THR A 24 14.266 5.363 -2.611 1.00 0.00 N ATOM 356 CA THR A 24 15.186 5.558 -1.497 1.00 0.00 C ATOM 357 C THR A 24 14.865 4.611 -0.342 1.00 0.00 C ATOM 358 O THR A 24 15.762 4.174 0.382 1.00 0.00 O ATOM 359 CB THR A 24 15.148 7.019 -1.002 1.00 0.00 C ATOM 360 OG1 THR A 24 15.967 7.840 -1.843 1.00 0.00 O ATOM 361 CG2 THR A 24 15.623 7.135 0.437 1.00 0.00 C ATOM 0 H THR A 24 13.510 6.047 -2.655 1.00 0.00 H new ATOM 0 HA THR A 24 16.189 5.334 -1.859 1.00 0.00 H new ATOM 0 HB THR A 24 14.113 7.358 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.397 8.373 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.582 8.178 0.751 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.979 6.537 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.649 6.773 0.512 1.00 0.00 H new ATOM 369 N TYR A 25 13.586 4.291 -0.177 1.00 0.00 N ATOM 370 CA TYR A 25 13.156 3.398 0.895 1.00 0.00 C ATOM 371 C TYR A 25 12.792 2.014 0.363 1.00 0.00 C ATOM 372 O TYR A 25 12.777 1.037 1.111 1.00 0.00 O ATOM 373 CB TYR A 25 11.966 4.001 1.638 1.00 0.00 C ATOM 374 CG TYR A 25 12.359 5.035 2.669 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.834 6.282 2.285 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.258 4.761 4.028 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.198 7.227 3.226 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.620 5.701 4.973 1.00 0.00 C ATOM 379 CZ TYR A 25 13.089 6.932 4.568 1.00 0.00 C ATOM 380 OH TYR A 25 13.450 7.870 5.507 1.00 0.00 O ATOM 0 H TYR A 25 12.830 4.635 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 25 13.992 3.282 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.291 4.459 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.412 3.201 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.920 6.517 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.891 3.798 4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.566 8.192 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.536 5.472 6.025 1.00 0.00 H new ATOM 0 HH TYR A 25 13.311 7.504 6.405 1.00 0.00 H new ATOM 390 N PHE A 26 12.503 1.937 -0.931 1.00 0.00 N ATOM 391 CA PHE A 26 12.138 0.673 -1.560 1.00 0.00 C ATOM 392 C PHE A 26 13.259 0.187 -2.470 1.00 0.00 C ATOM 393 O PHE A 26 13.554 -1.006 -2.531 1.00 0.00 O ATOM 394 CB PHE A 26 10.844 0.834 -2.361 1.00 0.00 C ATOM 395 CG PHE A 26 9.976 -0.395 -2.370 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.729 -1.096 -1.199 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.408 -0.848 -3.549 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.932 -2.225 -1.206 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.610 -1.976 -3.562 1.00 0.00 C ATOM 400 CZ PHE A 26 8.371 -2.665 -2.389 1.00 0.00 C ATOM 0 H PHE A 26 12.514 2.736 -1.565 1.00 0.00 H new ATOM 0 HA PHE A 26 11.978 -0.068 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.274 1.666 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.095 1.097 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.164 -0.756 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.591 -0.313 -4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.748 -2.763 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.174 -2.319 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.747 -3.546 -2.397 1.00 0.00 H new ATOM 410 N GLY A 27 13.879 1.127 -3.176 1.00 0.00 N ATOM 411 CA GLY A 27 14.967 0.788 -4.072 1.00 0.00 C ATOM 412 C GLY A 27 14.874 1.506 -5.407 1.00 0.00 C ATOM 413 O GLY A 27 13.783 1.651 -5.956 1.00 0.00 O ATOM 0 H GLY A 27 13.646 2.119 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.915 1.037 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.969 -0.289 -4.243 1.00 0.00 H new ATOM 417 N PRO A 28 16.013 1.967 -5.956 1.00 0.00 N ATOM 418 CA PRO A 28 16.044 2.682 -7.238 1.00 0.00 C ATOM 419 C PRO A 28 15.526 1.829 -8.388 1.00 0.00 C ATOM 420 O PRO A 28 15.208 2.343 -9.461 1.00 0.00 O ATOM 421 CB PRO A 28 17.529 3.009 -7.441 1.00 0.00 C ATOM 422 CG PRO A 28 18.259 2.058 -6.556 1.00 0.00 C ATOM 423 CD PRO A 28 17.359 1.821 -5.377 1.00 0.00 C ATOM 0 HA PRO A 28 15.403 3.563 -7.223 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.822 2.882 -8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.746 4.043 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.474 1.125 -7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.216 2.474 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.509 0.831 -4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.537 2.544 -4.581 1.00 0.00 H new ATOM 431 N ARG A 29 15.453 0.524 -8.162 1.00 0.00 N ATOM 432 CA ARG A 29 14.965 -0.397 -9.177 1.00 0.00 C ATOM 433 C ARG A 29 13.506 -0.768 -8.927 1.00 0.00 C ATOM 434 O ARG A 29 12.738 -0.960 -9.870 1.00 0.00 O ATOM 435 CB ARG A 29 15.829 -1.663 -9.209 1.00 0.00 C ATOM 436 CG ARG A 29 15.188 -2.827 -9.952 1.00 0.00 C ATOM 437 CD ARG A 29 14.903 -2.480 -11.406 1.00 0.00 C ATOM 438 NE ARG A 29 14.039 -3.471 -12.045 1.00 0.00 N ATOM 439 CZ ARG A 29 14.282 -4.002 -13.240 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.362 -3.644 -13.922 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.445 -4.893 -13.753 1.00 0.00 N ATOM 0 H ARG A 29 15.726 0.081 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 29 15.031 0.104 -10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.785 -1.427 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.043 -1.971 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.847 -3.694 -9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.259 -3.107 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.431 -1.499 -11.459 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.843 -2.411 -11.954 1.00 0.00 H new ATOM 0 HE ARG A 29 13.202 -3.772 -11.546 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.009 -2.960 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.545 -4.053 -14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.614 -5.172 -13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.632 -5.300 -14.669 1.00 0.00 H new ATOM 455 N LEU A 30 13.124 -0.866 -7.659 1.00 0.00 N ATOM 456 CA LEU A 30 11.762 -1.229 -7.290 1.00 0.00 C ATOM 457 C LEU A 30 10.789 -0.073 -7.489 1.00 0.00 C ATOM 458 O LEU A 30 9.607 -0.294 -7.721 1.00 0.00 O ATOM 459 CB LEU A 30 11.727 -1.679 -5.827 1.00 0.00 C ATOM 460 CG LEU A 30 12.308 -3.069 -5.550 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.796 -3.105 -5.863 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.058 -3.467 -4.103 1.00 0.00 C ATOM 0 H LEU A 30 13.743 -0.698 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 30 11.450 -2.044 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.273 -0.950 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.692 -1.662 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 30 11.807 -3.786 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.187 -4.102 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.953 -2.862 -6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.316 -2.377 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.476 -4.457 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.533 -2.744 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.985 -3.485 -3.911 1.00 0.00 H new ATOM 474 N MET A 31 11.288 1.152 -7.369 1.00 0.00 N ATOM 475 CA MET A 31 10.466 2.356 -7.530 1.00 0.00 C ATOM 476 C MET A 31 9.324 2.172 -8.530 1.00 0.00 C ATOM 477 O MET A 31 8.226 2.685 -8.318 1.00 0.00 O ATOM 478 CB MET A 31 11.340 3.535 -7.957 1.00 0.00 C ATOM 479 CG MET A 31 12.430 3.152 -8.943 1.00 0.00 C ATOM 480 SD MET A 31 12.681 4.396 -10.223 1.00 0.00 S ATOM 481 CE MET A 31 13.164 5.810 -9.238 1.00 0.00 C ATOM 0 H MET A 31 12.268 1.343 -7.159 1.00 0.00 H new ATOM 0 HA MET A 31 10.012 2.556 -6.560 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.709 4.302 -8.405 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.799 3.976 -7.072 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.365 2.999 -8.403 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.173 2.202 -9.411 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.405 6.646 -9.895 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.343 6.092 -8.579 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.039 5.555 -8.640 1.00 0.00 H new ATOM 491 N MET A 32 9.578 1.448 -9.614 1.00 0.00 N ATOM 492 CA MET A 32 8.554 1.215 -10.625 1.00 0.00 C ATOM 493 C MET A 32 7.975 -0.189 -10.491 1.00 0.00 C ATOM 494 O MET A 32 6.803 -0.421 -10.788 1.00 0.00 O ATOM 495 CB MET A 32 9.125 1.411 -12.031 1.00 0.00 C ATOM 496 CG MET A 32 10.207 0.409 -12.395 1.00 0.00 C ATOM 497 SD MET A 32 11.858 0.970 -11.938 1.00 0.00 S ATOM 498 CE MET A 32 12.046 2.384 -13.022 1.00 0.00 C ATOM 0 H MET A 32 10.479 1.014 -9.815 1.00 0.00 H new ATOM 0 HA MET A 32 7.756 1.941 -10.467 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.315 1.337 -12.756 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.533 2.418 -12.111 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.000 -0.539 -11.899 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.176 0.221 -13.468 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.103 2.634 -13.114 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.643 2.144 -14.006 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.507 3.235 -12.607 1.00 0.00 H new ATOM 508 N ARG A 33 8.808 -1.120 -10.040 1.00 0.00 N ATOM 509 CA ARG A 33 8.388 -2.503 -9.860 1.00 0.00 C ATOM 510 C ARG A 33 7.466 -2.644 -8.652 1.00 0.00 C ATOM 511 O ARG A 33 6.812 -3.673 -8.480 1.00 0.00 O ATOM 512 CB ARG A 33 9.610 -3.408 -9.690 1.00 0.00 C ATOM 513 CG ARG A 33 10.600 -3.318 -10.842 1.00 0.00 C ATOM 514 CD ARG A 33 10.022 -3.899 -12.122 1.00 0.00 C ATOM 515 NE ARG A 33 9.782 -5.334 -12.012 1.00 0.00 N ATOM 516 CZ ARG A 33 8.908 -5.998 -12.762 1.00 0.00 C ATOM 517 NH1 ARG A 33 8.190 -5.356 -13.674 1.00 0.00 N ATOM 518 NH2 ARG A 33 8.752 -7.304 -12.601 1.00 0.00 N ATOM 0 H ARG A 33 9.781 -0.940 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 33 7.836 -2.806 -10.750 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.120 -3.146 -8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.276 -4.441 -9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.875 -2.276 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.514 -3.851 -10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.087 -3.392 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.707 -3.708 -12.948 1.00 0.00 H new ATOM 0 HE ARG A 33 10.316 -5.858 -11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.308 -4.351 -13.801 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.520 -5.868 -14.248 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.303 -7.801 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.081 -7.812 -13.177 1.00 0.00 H new ATOM 532 N GLY A 34 7.416 -1.608 -7.816 1.00 0.00 N ATOM 533 CA GLY A 34 6.572 -1.648 -6.638 1.00 0.00 C ATOM 534 C GLY A 34 5.373 -0.731 -6.757 1.00 0.00 C ATOM 535 O GLY A 34 4.255 -1.118 -6.418 1.00 0.00 O ATOM 0 H GLY A 34 7.945 -0.744 -7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.230 -2.670 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.158 -1.364 -5.764 1.00 0.00 H new ATOM 539 N GLU A 35 5.603 0.488 -7.240 1.00 0.00 N ATOM 540 CA GLU A 35 4.523 1.453 -7.403 1.00 0.00 C ATOM 541 C GLU A 35 3.458 0.891 -8.335 1.00 0.00 C ATOM 542 O GLU A 35 2.266 1.149 -8.163 1.00 0.00 O ATOM 543 CB GLU A 35 5.062 2.785 -7.940 1.00 0.00 C ATOM 544 CG GLU A 35 5.502 2.740 -9.396 1.00 0.00 C ATOM 545 CD GLU A 35 4.380 3.071 -10.359 1.00 0.00 C ATOM 546 OE1 GLU A 35 3.877 4.213 -10.314 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.004 2.188 -11.158 1.00 0.00 O ATOM 0 H GLU A 35 6.522 0.828 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 35 4.072 1.640 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.291 3.547 -7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.908 3.095 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.322 3.443 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.889 1.747 -9.623 1.00 0.00 H new ATOM 554 N ALA A 36 3.898 0.120 -9.327 1.00 0.00 N ATOM 555 CA ALA A 36 2.981 -0.496 -10.278 1.00 0.00 C ATOM 556 C ALA A 36 2.327 -1.741 -9.685 1.00 0.00 C ATOM 557 O ALA A 36 1.268 -2.173 -10.137 1.00 0.00 O ATOM 558 CB ALA A 36 3.715 -0.847 -11.564 1.00 0.00 C ATOM 0 H ALA A 36 4.882 -0.092 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 36 2.194 0.223 -10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.019 -1.306 -12.266 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.130 0.059 -12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.522 -1.546 -11.343 1.00 0.00 H new ATOM 564 N LEU A 37 2.969 -2.315 -8.672 1.00 0.00 N ATOM 565 CA LEU A 37 2.456 -3.512 -8.016 1.00 0.00 C ATOM 566 C LEU A 37 1.330 -3.177 -7.042 1.00 0.00 C ATOM 567 O LEU A 37 0.355 -3.919 -6.930 1.00 0.00 O ATOM 568 CB LEU A 37 3.581 -4.222 -7.265 1.00 0.00 C ATOM 569 CG LEU A 37 3.737 -5.706 -7.585 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.481 -5.894 -8.898 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.453 -6.421 -6.449 1.00 0.00 C ATOM 0 H LEU A 37 3.848 -1.969 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 37 2.057 -4.167 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.521 -3.717 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.407 -4.113 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 37 2.745 -6.144 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.583 -6.958 -9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.924 -5.416 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.470 -5.443 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.556 -7.478 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.441 -5.983 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.875 -6.315 -5.531 1.00 0.00 H new ATOM 583 N VAL A 38 1.469 -2.056 -6.343 1.00 0.00 N ATOM 584 CA VAL A 38 0.469 -1.639 -5.368 1.00 0.00 C ATOM 585 C VAL A 38 -0.828 -1.227 -6.054 1.00 0.00 C ATOM 586 O VAL A 38 -1.921 -1.518 -5.565 1.00 0.00 O ATOM 587 CB VAL A 38 0.978 -0.476 -4.492 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.359 -0.792 -3.942 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.996 0.828 -5.272 1.00 0.00 C ATOM 0 H VAL A 38 2.262 -1.421 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 38 0.277 -2.499 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 38 0.291 -0.355 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.704 0.038 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.311 -1.697 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.054 -0.944 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.359 1.631 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.655 0.727 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.013 1.063 -5.611 1.00 0.00 H new ATOM 599 N TYR A 39 -0.702 -0.549 -7.189 1.00 0.00 N ATOM 600 CA TYR A 39 -1.863 -0.101 -7.943 1.00 0.00 C ATOM 601 C TYR A 39 -2.451 -1.250 -8.757 1.00 0.00 C ATOM 602 O TYR A 39 -3.609 -1.202 -9.172 1.00 0.00 O ATOM 603 CB TYR A 39 -1.477 1.073 -8.851 1.00 0.00 C ATOM 604 CG TYR A 39 -1.487 0.757 -10.331 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.391 0.161 -10.939 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.591 1.060 -11.118 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.393 -0.127 -12.291 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.601 0.777 -12.470 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.501 0.184 -13.052 1.00 0.00 C ATOM 610 OH TYR A 39 -1.507 -0.099 -14.398 1.00 0.00 O ATOM 0 H TYR A 39 0.194 -0.298 -7.606 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.627 0.239 -7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.163 1.899 -8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.481 1.417 -8.573 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.478 -0.082 -10.346 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.455 1.524 -10.666 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.467 -0.593 -12.749 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.467 1.019 -13.068 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.361 0.181 -14.787 1.00 0.00 H new ATOM 620 N ALA A 40 -1.643 -2.284 -8.980 1.00 0.00 N ATOM 621 CA ALA A 40 -2.085 -3.450 -9.736 1.00 0.00 C ATOM 622 C ALA A 40 -3.175 -4.198 -8.980 1.00 0.00 C ATOM 623 O ALA A 40 -4.111 -4.727 -9.580 1.00 0.00 O ATOM 624 CB ALA A 40 -0.909 -4.370 -10.025 1.00 0.00 C ATOM 0 H ALA A 40 -0.680 -2.337 -8.648 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.500 -3.109 -10.685 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.255 -5.236 -10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.161 -3.832 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.468 -4.702 -9.085 1.00 0.00 H new ATOM 630 N TRP A 41 -3.044 -4.238 -7.658 1.00 0.00 N ATOM 631 CA TRP A 41 -4.019 -4.911 -6.812 1.00 0.00 C ATOM 632 C TRP A 41 -5.230 -4.016 -6.567 1.00 0.00 C ATOM 633 O TRP A 41 -6.355 -4.497 -6.439 1.00 0.00 O ATOM 634 CB TRP A 41 -3.384 -5.300 -5.474 1.00 0.00 C ATOM 635 CG TRP A 41 -2.393 -6.419 -5.581 1.00 0.00 C ATOM 636 CD1 TRP A 41 -1.036 -6.309 -5.695 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.685 -7.821 -5.581 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.467 -7.558 -5.763 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.458 -8.502 -5.697 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.865 -8.567 -5.494 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.379 -9.892 -5.728 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.783 -9.947 -5.525 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.549 -10.597 -5.640 1.00 0.00 C ATOM 0 H TRP A 41 -2.270 -3.811 -7.150 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.349 -5.813 -7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.889 -4.427 -5.049 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.172 -5.589 -4.778 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.491 -5.377 -5.727 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.531 -7.751 -5.849 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.822 -8.075 -5.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.428 -10.396 -5.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.687 -10.534 -5.459 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.519 -11.676 -5.660 1.00 0.00 H new ATOM 654 N MET A 42 -4.988 -2.709 -6.506 1.00 0.00 N ATOM 655 CA MET A 42 -6.054 -1.740 -6.269 1.00 0.00 C ATOM 656 C MET A 42 -7.060 -1.716 -7.419 1.00 0.00 C ATOM 657 O MET A 42 -8.271 -1.721 -7.195 1.00 0.00 O ATOM 658 CB MET A 42 -5.460 -0.344 -6.069 1.00 0.00 C ATOM 659 CG MET A 42 -6.506 0.752 -5.955 1.00 0.00 C ATOM 660 SD MET A 42 -7.762 0.394 -4.711 1.00 0.00 S ATOM 661 CE MET A 42 -6.797 0.506 -3.207 1.00 0.00 C ATOM 0 H MET A 42 -4.062 -2.296 -6.618 1.00 0.00 H new ATOM 0 HA MET A 42 -6.584 -2.044 -5.366 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.847 -0.345 -5.168 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.798 -0.117 -6.904 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.014 1.693 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.989 0.889 -6.923 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.785 -0.464 -2.709 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.776 0.801 -3.451 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.241 1.249 -2.544 1.00 0.00 H new ATOM 671 N ARG A 43 -6.553 -1.688 -8.647 1.00 0.00 N ATOM 672 CA ARG A 43 -7.407 -1.648 -9.830 1.00 0.00 C ATOM 673 C ARG A 43 -8.223 -2.929 -9.971 1.00 0.00 C ATOM 674 O ARG A 43 -9.217 -2.965 -10.696 1.00 0.00 O ATOM 675 CB ARG A 43 -6.562 -1.426 -11.084 1.00 0.00 C ATOM 676 CG ARG A 43 -5.509 -2.498 -11.306 1.00 0.00 C ATOM 677 CD ARG A 43 -4.609 -2.157 -12.481 1.00 0.00 C ATOM 678 NE ARG A 43 -5.361 -2.015 -13.724 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.859 -2.284 -14.925 1.00 0.00 C ATOM 680 NH1 ARG A 43 -3.610 -2.717 -15.045 1.00 0.00 N ATOM 681 NH2 ARG A 43 -5.606 -2.124 -16.009 1.00 0.00 N ATOM 0 H ARG A 43 -5.553 -1.692 -8.850 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.102 -0.816 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.219 -1.389 -11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.071 -0.455 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.906 -2.610 -10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.996 -3.457 -11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.076 -1.229 -12.272 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.857 -2.937 -12.600 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.327 -1.691 -13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.032 -2.844 -14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.228 -2.923 -15.968 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.567 -1.794 -15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.219 -2.331 -16.930 1.00 0.00 H new ATOM 695 N ARG A 44 -7.797 -3.979 -9.277 1.00 0.00 N ATOM 696 CA ARG A 44 -8.494 -5.258 -9.325 1.00 0.00 C ATOM 697 C ARG A 44 -9.685 -5.260 -8.370 1.00 0.00 C ATOM 698 O ARG A 44 -10.800 -5.617 -8.751 1.00 0.00 O ATOM 699 CB ARG A 44 -7.534 -6.397 -8.977 1.00 0.00 C ATOM 700 CG ARG A 44 -6.482 -6.650 -10.046 1.00 0.00 C ATOM 701 CD ARG A 44 -5.662 -7.892 -9.739 1.00 0.00 C ATOM 702 NE ARG A 44 -6.485 -9.099 -9.718 1.00 0.00 N ATOM 703 CZ ARG A 44 -5.992 -10.326 -9.583 1.00 0.00 C ATOM 704 NH1 ARG A 44 -4.684 -10.511 -9.460 1.00 0.00 N ATOM 705 NH2 ARG A 44 -6.808 -11.372 -9.572 1.00 0.00 N ATOM 0 H ARG A 44 -6.973 -3.969 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.866 -5.409 -10.338 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.036 -6.167 -8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.108 -7.310 -8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.967 -6.764 -11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.822 -5.786 -10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.876 -8.002 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.169 -7.772 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.495 -8.994 -9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.053 -9.710 -9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.310 -11.454 -9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.814 -11.235 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.429 -12.313 -9.468 1.00 0.00 H new ATOM 719 N LEU A 45 -9.430 -4.867 -7.127 1.00 0.00 N ATOM 720 CA LEU A 45 -10.470 -4.808 -6.103 1.00 0.00 C ATOM 721 C LEU A 45 -11.728 -4.104 -6.611 1.00 0.00 C ATOM 722 O LEU A 45 -12.823 -4.341 -6.105 1.00 0.00 O ATOM 723 CB LEU A 45 -9.954 -4.090 -4.860 1.00 0.00 C ATOM 724 CG LEU A 45 -8.614 -4.597 -4.321 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.109 -3.689 -3.209 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.745 -6.029 -3.823 1.00 0.00 C ATOM 0 H LEU A 45 -8.506 -4.583 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.732 -5.836 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.857 -3.028 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.702 -4.180 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.888 -4.582 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.155 -4.064 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.975 -2.679 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.834 -3.672 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.782 -6.372 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.485 -6.070 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.061 -6.672 -4.644 1.00 0.00 H new ATOM 738 N CYS A 46 -11.572 -3.234 -7.604 1.00 0.00 N ATOM 739 CA CYS A 46 -12.708 -2.512 -8.172 1.00 0.00 C ATOM 740 C CYS A 46 -12.830 -2.783 -9.668 1.00 0.00 C ATOM 741 O CYS A 46 -11.829 -2.959 -10.362 1.00 0.00 O ATOM 742 CB CYS A 46 -12.568 -1.011 -7.925 1.00 0.00 C ATOM 743 SG CYS A 46 -13.891 -0.015 -8.651 1.00 0.00 S ATOM 0 H CYS A 46 -10.673 -3.011 -8.032 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.612 -2.868 -7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.541 -0.832 -6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.613 -0.675 -8.328 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.883 0.065 -7.815 1.00 0.00 H new ATOM 749 N GLU A 47 -14.065 -2.814 -10.157 1.00 0.00 N ATOM 750 CA GLU A 47 -14.327 -3.062 -11.570 1.00 0.00 C ATOM 751 C GLU A 47 -14.239 -1.767 -12.369 1.00 0.00 C ATOM 752 O GLU A 47 -13.916 -1.776 -13.556 1.00 0.00 O ATOM 753 CB GLU A 47 -15.711 -3.685 -11.746 1.00 0.00 C ATOM 754 CG GLU A 47 -16.840 -2.792 -11.261 1.00 0.00 C ATOM 755 CD GLU A 47 -18.197 -3.457 -11.360 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.833 -3.352 -12.430 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.625 -4.084 -10.367 1.00 0.00 O ATOM 0 H GLU A 47 -14.903 -2.670 -9.593 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.571 -3.754 -11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.867 -3.915 -12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.747 -4.630 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.654 -2.509 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.847 -1.873 -11.846 1.00 0.00 H new ATOM 764 N ARG A 48 -14.531 -0.656 -11.702 1.00 0.00 N ATOM 765 CA ARG A 48 -14.490 0.654 -12.336 1.00 0.00 C ATOM 766 C ARG A 48 -13.447 1.537 -11.661 1.00 0.00 C ATOM 767 O ARG A 48 -13.742 2.648 -11.221 1.00 0.00 O ATOM 768 CB ARG A 48 -15.869 1.315 -12.270 1.00 0.00 C ATOM 769 CG ARG A 48 -16.424 1.431 -10.860 1.00 0.00 C ATOM 770 CD ARG A 48 -17.850 1.955 -10.863 1.00 0.00 C ATOM 771 NE ARG A 48 -18.761 1.053 -11.561 1.00 0.00 N ATOM 772 CZ ARG A 48 -20.074 1.026 -11.358 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.632 1.852 -10.482 1.00 0.00 N ATOM 774 NH2 ARG A 48 -20.833 0.172 -12.030 1.00 0.00 N ATOM 0 H ARG A 48 -14.800 -0.638 -10.718 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.212 0.528 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.806 2.311 -12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.567 0.741 -12.880 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.395 0.455 -10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.792 2.097 -10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.189 2.090 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.875 2.936 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.367 0.406 -12.244 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.053 2.511 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.640 1.828 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.409 -0.466 -12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.841 0.152 -11.873 1.00 0.00 H new ATOM 788 N TYR A 49 -12.220 1.032 -11.590 1.00 0.00 N ATOM 789 CA TYR A 49 -11.127 1.763 -10.963 1.00 0.00 C ATOM 790 C TYR A 49 -10.114 2.237 -12.001 1.00 0.00 C ATOM 791 O TYR A 49 -9.179 1.514 -12.343 1.00 0.00 O ATOM 792 CB TYR A 49 -10.428 0.876 -9.935 1.00 0.00 C ATOM 793 CG TYR A 49 -9.867 1.638 -8.761 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.723 2.414 -8.889 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.488 1.584 -7.523 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.213 3.113 -7.813 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.986 2.277 -6.442 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.850 3.042 -6.590 1.00 0.00 C ATOM 799 OH TYR A 49 -8.346 3.737 -5.515 1.00 0.00 O ATOM 0 H TYR A 49 -11.958 0.118 -11.960 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.548 2.638 -10.467 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.135 0.131 -9.570 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.619 0.334 -10.425 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.224 2.472 -9.845 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.381 0.988 -7.403 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.321 3.712 -7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.481 2.220 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.997 3.106 -4.852 1.00 0.00 H new ATOM 809 N ASN A 50 -10.310 3.451 -12.508 1.00 0.00 N ATOM 810 CA ASN A 50 -9.405 4.016 -13.504 1.00 0.00 C ATOM 811 C ASN A 50 -8.019 4.253 -12.910 1.00 0.00 C ATOM 812 O ASN A 50 -7.005 3.989 -13.554 1.00 0.00 O ATOM 813 CB ASN A 50 -9.970 5.331 -14.050 1.00 0.00 C ATOM 814 CG ASN A 50 -11.189 5.127 -14.931 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.964 4.085 -14.650 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -11.434 5.902 -15.855 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.085 4.061 -12.247 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.313 3.300 -14.321 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.235 5.981 -13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.196 5.844 -14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.813 6.690 -16.038 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.258 5.756 -16.438 1.00 0.00 H new ATOM 823 N GLY A 51 -7.985 4.756 -11.679 1.00 0.00 N ATOM 824 CA GLY A 51 -6.719 5.022 -11.019 1.00 0.00 C ATOM 825 C GLY A 51 -6.790 6.223 -10.096 1.00 0.00 C ATOM 826 O GLY A 51 -7.874 6.743 -9.829 1.00 0.00 O ATOM 0 H GLY A 51 -8.812 4.984 -11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.419 4.144 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.948 5.190 -11.771 1.00 0.00 H new ATOM 830 N ALA A 52 -5.632 6.669 -9.612 1.00 0.00 N ATOM 831 CA ALA A 52 -5.568 7.817 -8.713 1.00 0.00 C ATOM 832 C ALA A 52 -4.124 8.164 -8.365 1.00 0.00 C ATOM 833 O ALA A 52 -3.190 7.495 -8.808 1.00 0.00 O ATOM 834 CB ALA A 52 -6.362 7.541 -7.447 1.00 0.00 C ATOM 0 H ALA A 52 -4.726 6.252 -9.828 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.007 8.672 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.305 8.406 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.404 7.349 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.948 6.669 -6.940 1.00 0.00 H new ATOM 840 N TYR A 53 -3.948 9.214 -7.568 1.00 0.00 N ATOM 841 CA TYR A 53 -2.618 9.647 -7.157 1.00 0.00 C ATOM 842 C TYR A 53 -2.188 8.939 -5.878 1.00 0.00 C ATOM 843 O TYR A 53 -2.549 9.351 -4.776 1.00 0.00 O ATOM 844 CB TYR A 53 -2.588 11.162 -6.948 1.00 0.00 C ATOM 845 CG TYR A 53 -2.399 11.953 -8.224 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.307 11.721 -9.051 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.309 12.934 -8.597 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.128 12.444 -10.216 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.136 13.661 -9.760 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.045 13.413 -10.564 1.00 0.00 C ATOM 851 OH TYR A 53 -1.869 14.135 -11.723 1.00 0.00 O ATOM 0 H TYR A 53 -4.710 9.780 -7.195 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.919 9.385 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.519 11.472 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.782 11.408 -6.257 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.586 10.964 -8.780 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.165 13.132 -7.969 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.275 12.251 -10.850 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.853 14.420 -10.037 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.603 14.777 -11.823 1.00 0.00 H new ATOM 861 N TRP A 54 -1.425 7.865 -6.037 1.00 0.00 N ATOM 862 CA TRP A 54 -0.941 7.089 -4.900 1.00 0.00 C ATOM 863 C TRP A 54 0.178 7.826 -4.165 1.00 0.00 C ATOM 864 O TRP A 54 1.355 7.486 -4.303 1.00 0.00 O ATOM 865 CB TRP A 54 -0.449 5.719 -5.374 1.00 0.00 C ATOM 866 CG TRP A 54 -1.176 5.219 -6.587 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.483 4.828 -6.658 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.638 5.065 -7.905 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.789 4.439 -7.939 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.674 4.574 -8.723 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.618 5.292 -8.473 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.490 4.309 -10.077 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.799 5.029 -9.818 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.251 4.541 -10.607 1.00 0.00 C ATOM 0 H TRP A 54 -1.127 7.510 -6.945 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.768 6.952 -4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.617 5.779 -5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.566 4.998 -4.565 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.174 4.825 -5.828 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.699 4.104 -8.255 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.433 5.666 -7.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.298 3.933 -10.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.765 5.202 -10.268 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.078 4.344 -11.655 1.00 0.00 H new ATOM 885 N HIS A 55 -0.202 8.846 -3.399 1.00 0.00 N ATOM 886 CA HIS A 55 0.753 9.640 -2.631 1.00 0.00 C ATOM 887 C HIS A 55 1.748 8.747 -1.900 1.00 0.00 C ATOM 888 O HIS A 55 1.363 7.789 -1.229 1.00 0.00 O ATOM 889 CB HIS A 55 0.019 10.523 -1.618 1.00 0.00 C ATOM 890 CG HIS A 55 -0.891 11.535 -2.242 1.00 0.00 C ATOM 891 ND1 HIS A 55 -0.509 12.837 -2.494 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.177 11.436 -2.657 1.00 0.00 C ATOM 893 CE1 HIS A 55 -1.520 13.493 -3.035 1.00 0.00 C ATOM 894 NE2 HIS A 55 -2.542 12.665 -3.145 1.00 0.00 N ATOM 0 H HIS A 55 -1.172 9.143 -3.294 1.00 0.00 H new ATOM 0 HA HIS A 55 1.300 10.270 -3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.564 9.887 -0.952 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.754 11.041 -1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.799 10.554 -2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.512 14.530 -3.336 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.456 12.901 -3.531 1.00 0.00 H new ATOM 903 N TYR A 56 3.031 9.069 -2.033 1.00 0.00 N ATOM 904 CA TYR A 56 4.080 8.295 -1.380 1.00 0.00 C ATOM 905 C TYR A 56 4.264 8.753 0.061 1.00 0.00 C ATOM 906 O TYR A 56 5.101 9.607 0.352 1.00 0.00 O ATOM 907 CB TYR A 56 5.401 8.423 -2.137 1.00 0.00 C ATOM 908 CG TYR A 56 5.324 7.989 -3.585 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.774 6.763 -3.935 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.802 8.807 -4.601 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.703 6.364 -5.255 1.00 0.00 C ATOM 912 CE2 TYR A 56 5.733 8.415 -5.924 1.00 0.00 C ATOM 913 CZ TYR A 56 5.183 7.193 -6.246 1.00 0.00 C ATOM 914 OH TYR A 56 5.112 6.800 -7.563 1.00 0.00 O ATOM 0 H TYR A 56 3.368 9.858 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 56 3.776 7.248 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.732 9.461 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 56 6.159 7.826 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.395 6.111 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.235 9.765 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.273 5.407 -5.510 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.108 9.063 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 56 5.493 7.500 -8.134 1.00 0.00 H new ATOM 924 N TYR A 57 3.470 8.181 0.957 1.00 0.00 N ATOM 925 CA TYR A 57 3.537 8.527 2.371 1.00 0.00 C ATOM 926 C TYR A 57 4.779 7.942 3.029 1.00 0.00 C ATOM 927 O TYR A 57 5.262 6.880 2.639 1.00 0.00 O ATOM 928 CB TYR A 57 2.285 8.036 3.098 1.00 0.00 C ATOM 929 CG TYR A 57 1.067 8.892 2.846 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.800 9.997 3.643 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.187 8.599 1.813 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.310 10.787 3.419 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.925 9.385 1.580 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.170 10.477 2.386 1.00 0.00 C ATOM 935 OH TYR A 57 -2.277 11.263 2.158 1.00 0.00 O ATOM 0 H TYR A 57 2.771 7.474 0.729 1.00 0.00 H new ATOM 0 HA TYR A 57 3.594 9.613 2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.071 7.014 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.484 8.008 4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.472 10.243 4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.375 7.743 1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.504 11.643 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.599 9.146 0.771 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.778 10.909 1.393 1.00 0.00 H new ATOM 945 N ALA A 58 5.289 8.651 4.029 1.00 0.00 N ATOM 946 CA ALA A 58 6.473 8.216 4.757 1.00 0.00 C ATOM 947 C ALA A 58 6.138 7.926 6.215 1.00 0.00 C ATOM 948 O ALA A 58 5.799 8.833 6.976 1.00 0.00 O ATOM 949 CB ALA A 58 7.562 9.272 4.663 1.00 0.00 C ATOM 0 H ALA A 58 4.898 9.535 4.355 1.00 0.00 H new ATOM 0 HA ALA A 58 6.836 7.294 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.443 8.936 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.824 9.432 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.201 10.206 5.093 1.00 0.00 H new ATOM 955 N LEU A 59 6.237 6.659 6.598 1.00 0.00 N ATOM 956 CA LEU A 59 5.941 6.247 7.965 1.00 0.00 C ATOM 957 C LEU A 59 7.168 6.379 8.860 1.00 0.00 C ATOM 958 O LEU A 59 8.304 6.266 8.398 1.00 0.00 O ATOM 959 CB LEU A 59 5.421 4.810 7.974 1.00 0.00 C ATOM 960 CG LEU A 59 3.911 4.679 7.773 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.562 3.317 7.200 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.183 4.905 9.087 1.00 0.00 C ATOM 0 H LEU A 59 6.520 5.898 5.981 1.00 0.00 H new ATOM 0 HA LEU A 59 5.170 6.907 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.929 4.249 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.690 4.346 8.923 1.00 0.00 H new ATOM 0 HG LEU A 59 3.591 5.440 7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.483 3.245 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.058 3.189 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.895 2.538 7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.109 4.809 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.510 4.164 9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.407 5.905 9.460 1.00 0.00 H new ATOM 974 N SER A 60 6.927 6.619 10.146 1.00 0.00 N ATOM 975 CA SER A 60 8.006 6.780 11.114 1.00 0.00 C ATOM 976 C SER A 60 8.664 5.442 11.435 1.00 0.00 C ATOM 977 O SER A 60 9.780 5.398 11.952 1.00 0.00 O ATOM 978 CB SER A 60 7.474 7.419 12.398 1.00 0.00 C ATOM 979 OG SER A 60 6.464 6.617 12.987 1.00 0.00 O ATOM 0 H SER A 60 5.991 6.706 10.542 1.00 0.00 H new ATOM 0 HA SER A 60 8.758 7.433 10.671 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.292 7.557 13.105 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.074 8.409 12.177 1.00 0.00 H new ATOM 0 HG SER A 60 6.367 6.855 13.933 1.00 0.00 H new ATOM 985 N ASP A 61 7.966 4.354 11.129 1.00 0.00 N ATOM 986 CA ASP A 61 8.487 3.018 11.390 1.00 0.00 C ATOM 987 C ASP A 61 9.322 2.524 10.213 1.00 0.00 C ATOM 988 O ASP A 61 10.001 1.500 10.305 1.00 0.00 O ATOM 989 CB ASP A 61 7.338 2.045 11.662 1.00 0.00 C ATOM 990 CG ASP A 61 7.756 0.887 12.549 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.931 0.472 12.470 1.00 0.00 O ATOM 992 OD2 ASP A 61 6.907 0.400 13.325 1.00 0.00 O ATOM 0 H ASP A 61 7.040 4.371 10.701 1.00 0.00 H new ATOM 0 HA ASP A 61 9.127 3.067 12.271 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.515 2.582 12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.963 1.656 10.715 1.00 0.00 H new ATOM 997 N GLY A 62 9.270 3.261 9.107 1.00 0.00 N ATOM 998 CA GLY A 62 10.025 2.883 7.926 1.00 0.00 C ATOM 999 C GLY A 62 9.217 2.027 6.970 1.00 0.00 C ATOM 1000 O GLY A 62 9.749 1.513 5.987 1.00 0.00 O ATOM 0 H GLY A 62 8.718 4.113 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.359 3.783 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.919 2.338 8.229 1.00 0.00 H new ATOM 1004 N GLY A 63 7.929 1.876 7.262 1.00 0.00 N ATOM 1005 CA GLY A 63 7.066 1.076 6.413 1.00 0.00 C ATOM 1006 C GLY A 63 6.196 1.920 5.506 1.00 0.00 C ATOM 1007 O GLY A 63 5.011 1.634 5.335 1.00 0.00 O ATOM 0 H GLY A 63 7.468 2.293 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.678 0.409 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.431 0.447 7.037 1.00 0.00 H new ATOM 1011 N PHE A 64 6.792 2.961 4.926 1.00 0.00 N ATOM 1012 CA PHE A 64 6.086 3.869 4.022 1.00 0.00 C ATOM 1013 C PHE A 64 5.043 3.129 3.187 1.00 0.00 C ATOM 1014 O PHE A 64 5.259 1.989 2.775 1.00 0.00 O ATOM 1015 CB PHE A 64 7.088 4.566 3.098 1.00 0.00 C ATOM 1016 CG PHE A 64 7.800 3.627 2.166 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.733 2.724 2.649 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.531 3.645 0.807 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.386 1.857 1.793 1.00 0.00 C ATOM 1020 CE2 PHE A 64 8.181 2.781 -0.053 1.00 0.00 C ATOM 1021 CZ PHE A 64 9.109 1.885 0.441 1.00 0.00 C ATOM 0 H PHE A 64 7.774 3.198 5.068 1.00 0.00 H new ATOM 0 HA PHE A 64 5.568 4.611 4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.564 5.320 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.826 5.091 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.953 2.697 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.805 4.342 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.112 1.158 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.964 2.806 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.617 1.208 -0.229 1.00 0.00 H new ATOM 1031 N TYR A 65 3.915 3.788 2.933 1.00 0.00 N ATOM 1032 CA TYR A 65 2.842 3.182 2.155 1.00 0.00 C ATOM 1033 C TYR A 65 2.308 4.151 1.100 1.00 0.00 C ATOM 1034 O TYR A 65 2.574 5.352 1.152 1.00 0.00 O ATOM 1035 CB TYR A 65 1.710 2.723 3.082 1.00 0.00 C ATOM 1036 CG TYR A 65 0.692 3.794 3.404 1.00 0.00 C ATOM 1037 CD1 TYR A 65 0.994 4.834 4.276 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.574 3.761 2.835 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.061 5.810 4.570 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.512 4.734 3.124 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.189 5.756 3.992 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.121 6.726 4.283 1.00 0.00 O ATOM 0 H TYR A 65 3.722 4.737 3.254 1.00 0.00 H new ATOM 0 HA TYR A 65 3.248 2.314 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.198 1.879 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.144 2.360 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.973 4.880 4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.830 2.962 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.310 6.611 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.492 4.694 2.673 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.008 6.423 3.999 1.00 0.00 H new ATOM 1052 N MET A 66 1.554 3.614 0.144 1.00 0.00 N ATOM 1053 CA MET A 66 0.982 4.417 -0.934 1.00 0.00 C ATOM 1054 C MET A 66 -0.541 4.426 -0.863 1.00 0.00 C ATOM 1055 O MET A 66 -1.169 3.382 -0.686 1.00 0.00 O ATOM 1056 CB MET A 66 1.429 3.868 -2.290 1.00 0.00 C ATOM 1057 CG MET A 66 2.935 3.879 -2.489 1.00 0.00 C ATOM 1058 SD MET A 66 3.451 2.956 -3.951 1.00 0.00 S ATOM 1059 CE MET A 66 2.479 3.754 -5.227 1.00 0.00 C ATOM 0 H MET A 66 1.324 2.622 0.094 1.00 0.00 H new ATOM 0 HA MET A 66 1.339 5.440 -0.818 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.065 2.846 -2.396 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.963 4.456 -3.081 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.278 4.910 -2.575 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.417 3.455 -1.608 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.840 3.443 -6.207 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.433 3.469 -5.119 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.572 4.836 -5.132 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.129 5.609 -1.003 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.579 5.751 -0.965 1.00 0.00 C ATOM 1071 C ALA A 67 -3.080 6.608 -2.126 1.00 0.00 C ATOM 1072 O ALA A 67 -2.583 7.710 -2.352 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.018 6.351 0.361 1.00 0.00 C ATOM 0 H ALA A 67 -0.623 6.484 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.017 4.758 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.103 6.451 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.704 5.700 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.562 7.333 0.485 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.078 6.107 -2.878 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.648 6.829 -4.021 1.00 0.00 C ATOM 1081 C PRO A 68 -5.419 8.075 -3.594 1.00 0.00 C ATOM 1082 O PRO A 68 -5.797 8.214 -2.431 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.592 5.806 -4.656 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.946 4.877 -3.548 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.727 4.799 -2.673 1.00 0.00 C ATOM 0 HA PRO A 68 -3.875 7.192 -4.699 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.479 6.288 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.108 5.277 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.806 5.246 -2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.214 3.893 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.992 4.641 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.074 3.976 -2.965 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.648 8.977 -4.543 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.371 10.213 -4.267 1.00 0.00 C ATOM 1095 C ASP A 69 -7.804 10.144 -4.797 1.00 0.00 C ATOM 1096 O ASP A 69 -8.092 10.613 -5.898 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.638 11.400 -4.895 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.192 12.735 -4.435 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.796 13.198 -3.345 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.022 13.315 -5.166 1.00 0.00 O ATOM 0 H ASP A 69 -5.343 8.875 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.414 10.346 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.579 11.344 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.711 11.335 -5.981 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.693 9.555 -4.002 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.096 9.412 -4.377 1.00 0.00 C ATOM 1107 C LEU A 70 -11.008 9.785 -3.213 1.00 0.00 C ATOM 1108 O LEU A 70 -10.988 9.138 -2.165 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.377 7.971 -4.808 1.00 0.00 C ATOM 1110 CG LEU A 70 -10.659 7.759 -6.296 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -9.612 8.451 -7.154 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.701 6.272 -6.605 1.00 0.00 C ATOM 0 H LEU A 70 -8.464 9.166 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.298 10.087 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.521 7.356 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.232 7.603 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.628 8.200 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.837 8.284 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.621 9.521 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.627 8.045 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.902 6.126 -7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.742 5.821 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.489 5.801 -6.018 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.805 10.829 -3.402 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.724 11.287 -2.365 1.00 0.00 C ATOM 1126 C ALA A 71 -14.154 10.837 -2.649 1.00 0.00 C ATOM 1127 O ALA A 71 -14.811 11.356 -3.550 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.662 12.802 -2.240 1.00 0.00 C ATOM 0 H ALA A 71 -11.834 11.375 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.415 10.838 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.352 13.132 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.648 13.104 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.941 13.257 -3.190 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.629 9.864 -1.874 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.981 9.363 -2.053 1.00 0.00 C ATOM 1136 C GLY A 72 -16.093 7.873 -1.796 1.00 0.00 C ATOM 1137 O GLY A 72 -15.083 7.171 -1.731 1.00 0.00 O ATOM 0 H GLY A 72 -14.101 9.414 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.653 9.895 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.312 9.578 -3.069 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.324 7.389 -1.644 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.567 5.974 -1.398 1.00 0.00 C ATOM 1143 C ARG A 73 -17.054 5.131 -2.557 1.00 0.00 C ATOM 1144 O ARG A 73 -17.747 4.938 -3.557 1.00 0.00 O ATOM 1145 CB ARG A 73 -19.060 5.712 -1.186 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.652 6.469 -0.008 1.00 0.00 C ATOM 1147 CD ARG A 73 -21.074 6.020 0.283 1.00 0.00 C ATOM 1148 NE ARG A 73 -21.138 4.603 0.628 1.00 0.00 N ATOM 1149 CZ ARG A 73 -22.245 3.992 1.039 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -23.379 4.670 1.151 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -22.219 2.700 1.335 1.00 0.00 N ATOM 0 H ARG A 73 -18.169 7.959 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 73 -17.028 5.692 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.600 5.987 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -19.214 4.644 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.032 6.313 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.643 7.538 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.481 6.612 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.700 6.210 -0.589 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.285 4.050 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.404 5.664 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -24.226 4.198 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.349 2.174 1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -23.069 2.232 1.650 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.832 4.639 -2.416 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.212 3.820 -3.450 1.00 0.00 C ATOM 1167 C LEU A 74 -15.577 2.350 -3.280 1.00 0.00 C ATOM 1168 O LEU A 74 -15.095 1.686 -2.364 1.00 0.00 O ATOM 1169 CB LEU A 74 -13.691 3.972 -3.408 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.181 5.412 -3.373 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -11.680 5.432 -3.131 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.527 6.136 -4.666 1.00 0.00 C ATOM 0 H LEU A 74 -15.248 4.793 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 74 -15.587 4.164 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.314 3.449 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.268 3.475 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.672 5.934 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.329 6.464 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.459 4.952 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.175 4.894 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.155 7.160 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.065 5.619 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.609 6.149 -4.798 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.430 1.847 -4.165 1.00 0.00 N ATOM 1185 CA GLU A 75 -16.841 0.450 -4.111 1.00 0.00 C ATOM 1186 C GLU A 75 -15.649 -0.458 -4.388 1.00 0.00 C ATOM 1187 O GLU A 75 -15.365 -0.792 -5.539 1.00 0.00 O ATOM 1188 CB GLU A 75 -17.955 0.179 -5.124 1.00 0.00 C ATOM 1189 CG GLU A 75 -19.190 1.038 -4.913 1.00 0.00 C ATOM 1190 CD GLU A 75 -20.269 0.771 -5.943 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.228 1.398 -7.023 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -21.156 -0.066 -5.671 1.00 0.00 O ATOM 0 H GLU A 75 -16.849 2.383 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.222 0.239 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -17.570 0.351 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.239 -0.872 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.591 0.853 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -18.907 2.090 -4.953 1.00 0.00 H new ATOM 1199 N ILE A 76 -14.949 -0.849 -3.327 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.780 -1.706 -3.461 1.00 0.00 C ATOM 1201 C ILE A 76 -14.016 -3.078 -2.841 1.00 0.00 C ATOM 1202 O ILE A 76 -14.065 -3.223 -1.619 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.531 -1.062 -2.816 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -11.880 -0.073 -3.790 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.531 -2.129 -2.386 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.103 -0.737 -4.907 1.00 0.00 C ATOM 0 H ILE A 76 -15.172 -0.585 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.605 -1.828 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.846 -0.517 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.655 0.558 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.210 0.583 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.661 -1.652 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.998 -2.793 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.218 -2.706 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.672 0.027 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.305 -1.346 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.772 -1.371 -5.489 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.181 -4.078 -3.695 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.383 -5.442 -3.234 1.00 0.00 C ATOM 1220 C GLU A 77 -13.050 -6.176 -3.205 1.00 0.00 C ATOM 1221 O GLU A 77 -12.228 -6.025 -4.106 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.395 -6.179 -4.120 1.00 0.00 C ATOM 1223 CG GLU A 77 -15.021 -6.225 -5.593 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.036 -7.332 -5.917 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.369 -8.511 -5.679 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -12.933 -7.019 -6.414 1.00 0.00 O ATOM 0 H GLU A 77 -14.179 -3.970 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.792 -5.414 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.506 -7.200 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.367 -5.697 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.924 -6.363 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.591 -5.266 -5.884 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.840 -6.966 -2.165 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.595 -7.705 -2.017 1.00 0.00 C ATOM 1235 C VAL A 78 -11.790 -9.187 -2.278 1.00 0.00 C ATOM 1236 O VAL A 78 -12.373 -9.896 -1.459 1.00 0.00 O ATOM 1237 CB VAL A 78 -10.993 -7.531 -0.613 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.144 -6.273 -0.548 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -12.082 -7.492 0.438 1.00 0.00 C ATOM 0 H VAL A 78 -13.513 -7.113 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.909 -7.293 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.353 -8.390 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.727 -6.167 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.333 -6.343 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.762 -5.405 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.633 -7.368 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.752 -6.656 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.647 -8.424 0.411 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.307 -9.656 -3.423 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.425 -11.067 -3.763 1.00 0.00 C ATOM 1251 C ASN A 79 -10.634 -11.908 -2.767 1.00 0.00 C ATOM 1252 O ASN A 79 -11.003 -13.042 -2.461 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.908 -11.313 -5.180 1.00 0.00 C ATOM 1254 CG ASN A 79 -11.359 -10.240 -6.150 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -10.617 -9.139 -6.196 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -12.366 -10.393 -6.843 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.835 -9.086 -4.125 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.476 -11.354 -3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.819 -11.352 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.257 -12.285 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.906 -11.256 -6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.660 -9.657 -7.485 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.539 -11.332 -2.275 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.691 -12.016 -1.314 1.00 0.00 C ATOM 1265 C GLY A 80 -9.470 -12.688 -0.198 1.00 0.00 C ATOM 1266 O GLY A 80 -9.062 -13.736 0.301 1.00 0.00 O ATOM 0 H GLY A 80 -9.223 -10.396 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.095 -12.766 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.993 -11.299 -0.880 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.591 -12.091 0.196 1.00 0.00 N ATOM 1271 CA ASN A 81 -11.413 -12.654 1.259 1.00 0.00 C ATOM 1272 C ASN A 81 -12.898 -12.443 0.977 1.00 0.00 C ATOM 1273 O ASN A 81 -13.737 -12.604 1.863 1.00 0.00 O ATOM 1274 CB ASN A 81 -11.034 -12.044 2.606 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.415 -10.585 2.707 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.509 -10.251 3.153 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.507 -9.707 2.302 1.00 0.00 N ATOM 0 H ASN A 81 -10.948 -11.223 -0.203 1.00 0.00 H new ATOM 0 HA ASN A 81 -11.227 -13.727 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.525 -12.601 3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.960 -12.147 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.705 -8.708 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.611 -10.031 1.938 1.00 0.00 H new ATOM 1284 N GLY A 82 -13.212 -12.088 -0.266 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.592 -11.878 -0.667 1.00 0.00 C ATOM 1286 C GLY A 82 -15.342 -10.842 0.152 1.00 0.00 C ATOM 1287 O GLY A 82 -16.560 -10.948 0.303 1.00 0.00 O ATOM 0 H GLY A 82 -12.528 -11.941 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.609 -11.575 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.123 -12.827 -0.601 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.647 -9.839 0.686 1.00 0.00 N ATOM 1292 CA PHE A 83 -15.327 -8.806 1.468 1.00 0.00 C ATOM 1293 C PHE A 83 -15.775 -7.651 0.583 1.00 0.00 C ATOM 1294 O PHE A 83 -14.964 -6.837 0.142 1.00 0.00 O ATOM 1295 CB PHE A 83 -14.438 -8.287 2.599 1.00 0.00 C ATOM 1296 CG PHE A 83 -15.022 -7.109 3.328 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -16.065 -7.280 4.225 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -14.530 -5.832 3.114 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -16.605 -6.197 4.894 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -15.065 -4.747 3.780 1.00 0.00 C ATOM 1301 CZ PHE A 83 -16.104 -4.930 4.671 1.00 0.00 C ATOM 0 H PHE A 83 -13.638 -9.719 0.596 1.00 0.00 H new ATOM 0 HA PHE A 83 -16.210 -9.267 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -14.261 -9.093 3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.468 -8.006 2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.460 -8.269 4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.718 -5.683 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -17.418 -6.342 5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.671 -3.757 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.524 -4.083 5.193 1.00 0.00 H new ATOM 1311 N ARG A 84 -17.076 -7.590 0.328 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.646 -6.532 -0.492 1.00 0.00 C ATOM 1313 C ARG A 84 -18.025 -5.343 0.381 1.00 0.00 C ATOM 1314 O ARG A 84 -18.909 -5.443 1.233 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.871 -7.051 -1.253 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.387 -6.095 -2.320 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.316 -5.044 -1.735 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.795 -4.111 -2.752 1.00 0.00 N ATOM 1319 CZ ARG A 84 -21.957 -3.470 -2.677 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.761 -3.662 -1.639 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.318 -2.634 -3.643 1.00 0.00 N ATOM 0 H ARG A 84 -17.757 -8.264 0.679 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.901 -6.208 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.618 -8.002 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.671 -7.250 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.544 -5.604 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -19.915 -6.659 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -21.167 -5.535 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.793 -4.492 -0.954 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.204 -3.942 -3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.488 -4.304 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.652 -3.168 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -21.704 -2.483 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.210 -2.142 -3.585 1.00 0.00 H new ATOM 1335 N GLY A 85 -17.351 -4.220 0.165 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.632 -3.032 0.951 1.00 0.00 C ATOM 1337 C GLY A 85 -16.974 -1.786 0.397 1.00 0.00 C ATOM 1338 O GLY A 85 -15.852 -1.837 -0.108 1.00 0.00 O ATOM 0 H GLY A 85 -16.619 -4.110 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.710 -2.878 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.292 -3.191 1.974 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.677 -0.661 0.491 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.158 0.611 0.007 1.00 0.00 C ATOM 1344 C GLU A 86 -16.199 1.215 1.026 1.00 0.00 C ATOM 1345 O GLU A 86 -16.482 1.226 2.225 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.303 1.588 -0.270 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.327 1.069 -1.267 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.193 -0.037 -0.697 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.133 0.277 0.064 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -19.930 -1.217 -1.009 1.00 0.00 O ATOM 0 H GLU A 86 -18.610 -0.606 0.899 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.619 0.428 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.808 1.817 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.887 2.523 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.963 1.893 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.810 0.700 -2.153 1.00 0.00 H new ATOM 1357 N LEU A 87 -15.066 1.715 0.548 1.00 0.00 N ATOM 1358 CA LEU A 87 -14.071 2.312 1.428 1.00 0.00 C ATOM 1359 C LEU A 87 -13.447 3.545 0.785 1.00 0.00 C ATOM 1360 O LEU A 87 -13.661 3.816 -0.396 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.985 1.286 1.763 1.00 0.00 C ATOM 1362 CG LEU A 87 -12.272 1.501 3.099 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -13.278 1.602 4.237 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -11.284 0.375 3.358 1.00 0.00 C ATOM 0 H LEU A 87 -14.815 1.719 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.567 2.621 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.435 0.293 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.241 1.296 0.967 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.722 2.441 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.749 1.755 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.948 2.443 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.858 0.681 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.784 0.542 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.816 -0.576 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.542 0.351 2.559 1.00 0.00 H new ATOM 1376 N SER A 88 -12.678 4.290 1.570 1.00 0.00 N ATOM 1377 CA SER A 88 -12.024 5.496 1.077 1.00 0.00 C ATOM 1378 C SER A 88 -10.702 5.155 0.397 1.00 0.00 C ATOM 1379 O SER A 88 -10.150 4.075 0.600 1.00 0.00 O ATOM 1380 CB SER A 88 -11.785 6.479 2.225 1.00 0.00 C ATOM 1381 OG SER A 88 -10.962 5.905 3.225 1.00 0.00 O ATOM 0 H SER A 88 -12.492 4.080 2.551 1.00 0.00 H new ATOM 0 HA SER A 88 -12.680 5.963 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.317 7.385 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.740 6.774 2.660 1.00 0.00 H new ATOM 0 HG SER A 88 -10.823 6.554 3.946 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.201 6.086 -0.409 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.946 5.886 -1.121 1.00 0.00 C ATOM 1389 C ALA A 89 -7.788 5.679 -0.153 1.00 0.00 C ATOM 1390 O ALA A 89 -6.783 5.058 -0.497 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.663 7.070 -2.029 1.00 0.00 C ATOM 0 H ALA A 89 -10.646 6.987 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.044 4.986 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.722 6.908 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.471 7.174 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.592 7.979 -1.431 1.00 0.00 H new ATOM 1397 N ASP A 90 -7.937 6.198 1.060 1.00 0.00 N ATOM 1398 CA ASP A 90 -6.901 6.074 2.076 1.00 0.00 C ATOM 1399 C ASP A 90 -6.933 4.695 2.723 1.00 0.00 C ATOM 1400 O ASP A 90 -5.931 3.979 2.733 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.076 7.156 3.144 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.103 6.995 4.295 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -6.428 6.255 5.247 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -5.018 7.611 4.246 1.00 0.00 O ATOM 0 H ASP A 90 -8.766 6.709 1.363 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.934 6.203 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.938 8.137 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.096 7.123 3.527 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.092 4.327 3.260 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.259 3.037 3.919 1.00 0.00 C ATOM 1411 C ALA A 91 -8.172 1.880 2.927 1.00 0.00 C ATOM 1412 O ALA A 91 -8.169 0.714 3.325 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.585 2.997 4.661 1.00 0.00 C ATOM 0 H ALA A 91 -8.932 4.906 3.251 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.444 2.920 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.700 2.029 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.606 3.787 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.402 3.146 3.955 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.103 2.201 1.640 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.018 1.180 0.604 1.00 0.00 C ATOM 1421 C ALA A 92 -6.596 1.064 0.069 1.00 0.00 C ATOM 1422 O ALA A 92 -6.118 -0.034 -0.212 1.00 0.00 O ATOM 1423 CB ALA A 92 -8.986 1.493 -0.527 1.00 0.00 C ATOM 0 H ALA A 92 -8.104 3.159 1.290 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.293 0.222 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.911 0.722 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.004 1.520 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.737 2.461 -0.961 1.00 0.00 H new ATOM 1429 N GLY A 93 -5.927 2.206 -0.069 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.564 2.209 -0.562 1.00 0.00 C ATOM 1431 C GLY A 93 -3.664 1.314 0.261 1.00 0.00 C ATOM 1432 O GLY A 93 -2.694 0.755 -0.250 1.00 0.00 O ATOM 0 H GLY A 93 -6.306 3.127 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.553 1.878 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.175 3.227 -0.547 1.00 0.00 H new ATOM 1436 N ILE A 94 -3.990 1.181 1.541 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.215 0.339 2.443 1.00 0.00 C ATOM 1438 C ILE A 94 -3.247 -1.109 1.970 1.00 0.00 C ATOM 1439 O ILE A 94 -2.212 -1.764 1.866 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.753 0.413 3.881 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -3.845 1.870 4.333 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.865 -0.385 4.825 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -5.137 2.192 5.043 1.00 0.00 C ATOM 0 H ILE A 94 -4.786 1.646 1.978 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.189 0.708 2.436 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.752 -0.023 3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.009 2.091 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.744 2.520 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.261 -0.321 5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.843 -1.428 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.854 0.022 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.139 3.241 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.977 2.001 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.230 1.566 5.930 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.449 -1.599 1.686 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.629 -2.961 1.209 1.00 0.00 C ATOM 1457 C VAL A 95 -4.010 -3.124 -0.174 1.00 0.00 C ATOM 1458 O VAL A 95 -3.675 -4.231 -0.591 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.126 -3.333 1.144 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.307 -4.766 0.668 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.784 -3.127 2.500 1.00 0.00 C ATOM 0 H VAL A 95 -5.315 -1.069 1.779 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.131 -3.628 1.913 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.612 -2.675 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.370 -5.005 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.875 -4.876 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.807 -5.445 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.839 -3.394 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.294 -3.758 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.691 -2.082 2.794 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.852 -2.007 -0.877 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.272 -2.023 -2.217 1.00 0.00 C ATOM 1473 C ALA A 96 -1.761 -2.223 -2.165 1.00 0.00 C ATOM 1474 O ALA A 96 -1.208 -3.045 -2.896 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.607 -0.734 -2.949 1.00 0.00 C ATOM 0 H ALA A 96 -4.117 -1.080 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.703 -2.864 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.169 -0.758 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.689 -0.632 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.203 0.114 -2.396 1.00 0.00 H new ATOM 1481 N THR A 97 -1.100 -1.463 -1.297 1.00 0.00 N ATOM 1482 CA THR A 97 0.348 -1.550 -1.152 1.00 0.00 C ATOM 1483 C THR A 97 0.760 -2.813 -0.402 1.00 0.00 C ATOM 1484 O THR A 97 1.722 -3.480 -0.779 1.00 0.00 O ATOM 1485 CB THR A 97 0.916 -0.319 -0.423 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.302 -0.520 -0.123 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.148 -0.045 0.862 1.00 0.00 C ATOM 0 H THR A 97 -1.545 -0.780 -0.684 1.00 0.00 H new ATOM 0 HA THR A 97 0.760 -1.587 -2.160 1.00 0.00 H new ATOM 0 HB THR A 97 0.809 0.543 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.654 0.269 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.569 0.830 1.358 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.900 0.141 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.224 -0.909 1.523 1.00 0.00 H new ATOM 1495 N LEU A 98 0.029 -3.133 0.664 1.00 0.00 N ATOM 1496 CA LEU A 98 0.322 -4.319 1.465 1.00 0.00 C ATOM 1497 C LEU A 98 0.425 -5.568 0.593 1.00 0.00 C ATOM 1498 O LEU A 98 1.419 -6.293 0.649 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.755 -4.522 2.534 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.663 -3.582 3.739 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.868 -3.763 4.648 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.628 -3.825 4.510 1.00 0.00 C ATOM 0 H LEU A 98 -0.769 -2.589 0.992 1.00 0.00 H new ATOM 0 HA LEU A 98 1.285 -4.159 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.733 -4.397 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.701 -5.551 2.891 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.657 -2.555 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.786 -3.087 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.779 -3.539 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.904 -4.793 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.676 -3.148 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.652 -4.856 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.482 -3.646 3.856 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.606 -5.817 -0.210 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.624 -6.981 -1.091 1.00 0.00 C ATOM 1516 C PHE A 99 0.576 -6.978 -2.032 1.00 0.00 C ATOM 1517 O PHE A 99 1.108 -8.035 -2.376 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.924 -7.021 -1.897 1.00 0.00 C ATOM 1519 CG PHE A 99 -3.024 -7.791 -1.220 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.875 -7.170 -0.319 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.203 -9.138 -1.487 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.884 -7.880 0.302 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.210 -9.853 -0.869 1.00 0.00 C ATOM 1524 CZ PHE A 99 -5.052 -9.223 0.028 1.00 0.00 C ATOM 0 H PHE A 99 -1.438 -5.230 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.566 -7.873 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.263 -6.001 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.725 -7.467 -2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.748 -6.120 -0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.547 -9.635 -2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.541 -7.385 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.339 -10.903 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.840 -9.780 0.514 1.00 0.00 H new ATOM 1534 N ALA A 100 1.000 -5.788 -2.442 1.00 0.00 N ATOM 1535 CA ALA A 100 2.144 -5.654 -3.334 1.00 0.00 C ATOM 1536 C ALA A 100 3.433 -6.023 -2.612 1.00 0.00 C ATOM 1537 O ALA A 100 4.341 -6.613 -3.197 1.00 0.00 O ATOM 1538 CB ALA A 100 2.227 -4.238 -3.881 1.00 0.00 C ATOM 0 H ALA A 100 0.569 -4.904 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 100 2.011 -6.341 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.087 -4.154 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.317 -4.008 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.337 -3.535 -3.055 1.00 0.00 H new ATOM 1544 N LEU A 101 3.503 -5.665 -1.333 1.00 0.00 N ATOM 1545 CA LEU A 101 4.674 -5.962 -0.514 1.00 0.00 C ATOM 1546 C LEU A 101 4.945 -7.460 -0.476 1.00 0.00 C ATOM 1547 O LEU A 101 6.092 -7.898 -0.577 1.00 0.00 O ATOM 1548 CB LEU A 101 4.467 -5.440 0.909 1.00 0.00 C ATOM 1549 CG LEU A 101 4.349 -3.920 1.038 1.00 0.00 C ATOM 1550 CD1 LEU A 101 3.930 -3.537 2.450 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.663 -3.249 0.670 1.00 0.00 C ATOM 0 H LEU A 101 2.761 -5.168 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 101 5.535 -5.464 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.564 -5.894 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.300 -5.777 1.526 1.00 0.00 H new ATOM 0 HG LEU A 101 3.582 -3.574 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.851 -2.452 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.964 -3.988 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.675 -3.896 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.560 -2.168 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.450 -3.600 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.922 -3.497 -0.359 1.00 0.00 H new ATOM 1563 N GLY A 102 3.882 -8.244 -0.330 1.00 0.00 N ATOM 1564 CA GLY A 102 4.021 -9.687 -0.271 1.00 0.00 C ATOM 1565 C GLY A 102 4.366 -10.305 -1.612 1.00 0.00 C ATOM 1566 O GLY A 102 5.094 -11.296 -1.673 1.00 0.00 O ATOM 0 H GLY A 102 2.924 -7.904 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.797 -9.942 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.090 -10.121 0.094 1.00 0.00 H new ATOM 1570 N GLN A 103 3.847 -9.722 -2.688 1.00 0.00 N ATOM 1571 CA GLN A 103 4.107 -10.237 -4.029 1.00 0.00 C ATOM 1572 C GLN A 103 5.557 -9.995 -4.435 1.00 0.00 C ATOM 1573 O GLN A 103 6.247 -10.911 -4.885 1.00 0.00 O ATOM 1574 CB GLN A 103 3.161 -9.590 -5.044 1.00 0.00 C ATOM 1575 CG GLN A 103 3.284 -10.171 -6.444 1.00 0.00 C ATOM 1576 CD GLN A 103 2.174 -9.710 -7.368 1.00 0.00 C ATOM 1577 OE1 GLN A 103 2.405 -8.606 -8.067 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 1.121 -10.342 -7.455 1.00 0.00 N flip ATOM 0 H GLN A 103 3.247 -8.897 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 103 3.929 -11.312 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.134 -9.709 -4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.362 -8.519 -5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.247 -9.885 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.273 -11.259 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.985 -11.186 -6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.384 -10.021 -8.083 1.00 0.00 H new ATOM 1587 N LEU A 104 6.014 -8.757 -4.275 1.00 0.00 N ATOM 1588 CA LEU A 104 7.379 -8.392 -4.622 1.00 0.00 C ATOM 1589 C LEU A 104 8.380 -9.176 -3.776 1.00 0.00 C ATOM 1590 O LEU A 104 9.410 -9.630 -4.276 1.00 0.00 O ATOM 1591 CB LEU A 104 7.580 -6.890 -4.416 1.00 0.00 C ATOM 1592 CG LEU A 104 8.534 -6.213 -5.402 1.00 0.00 C ATOM 1593 CD1 LEU A 104 9.953 -6.735 -5.226 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.060 -6.415 -6.832 1.00 0.00 C ATOM 0 H LEU A 104 5.455 -7.988 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 104 7.550 -8.638 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.609 -6.399 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.953 -6.726 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 104 8.538 -5.144 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.614 -6.240 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.293 -6.529 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.970 -7.810 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.752 -5.926 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.021 -7.481 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.066 -5.983 -6.950 1.00 0.00 H new ATOM 1606 N ALA A 105 8.069 -9.330 -2.492 1.00 0.00 N ATOM 1607 CA ALA A 105 8.939 -10.054 -1.573 1.00 0.00 C ATOM 1608 C ALA A 105 9.078 -11.517 -1.980 1.00 0.00 C ATOM 1609 O ALA A 105 10.147 -12.112 -1.841 1.00 0.00 O ATOM 1610 CB ALA A 105 8.399 -9.956 -0.154 1.00 0.00 C ATOM 0 H ALA A 105 7.219 -8.962 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 105 9.927 -9.596 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.057 -10.500 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.354 -8.909 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.399 -10.388 -0.115 1.00 0.00 H new ATOM 1616 N ALA A 106 7.990 -12.092 -2.483 1.00 0.00 N ATOM 1617 CA ALA A 106 7.987 -13.486 -2.907 1.00 0.00 C ATOM 1618 C ALA A 106 8.455 -13.628 -4.351 1.00 0.00 C ATOM 1619 O ALA A 106 8.737 -14.732 -4.817 1.00 0.00 O ATOM 1620 CB ALA A 106 6.597 -14.084 -2.742 1.00 0.00 C ATOM 0 H ALA A 106 7.098 -11.612 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 106 8.686 -14.031 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.609 -15.126 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.300 -14.030 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.886 -13.525 -3.351 1.00 0.00 H new ATOM 1626 N GLU A 107 8.536 -12.503 -5.054 1.00 0.00 N ATOM 1627 CA GLU A 107 8.971 -12.503 -6.446 1.00 0.00 C ATOM 1628 C GLU A 107 10.489 -12.631 -6.540 1.00 0.00 C ATOM 1629 O GLU A 107 11.013 -13.242 -7.470 1.00 0.00 O ATOM 1630 CB GLU A 107 8.508 -11.223 -7.145 1.00 0.00 C ATOM 1631 CG GLU A 107 8.956 -11.121 -8.594 1.00 0.00 C ATOM 1632 CD GLU A 107 8.471 -9.854 -9.268 1.00 0.00 C ATOM 1633 OE1 GLU A 107 9.134 -8.807 -9.113 1.00 0.00 O ATOM 1634 OE2 GLU A 107 7.428 -9.906 -9.953 1.00 0.00 O ATOM 0 H GLU A 107 8.306 -11.581 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 107 8.522 -13.362 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.420 -11.172 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.888 -10.362 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.045 -11.157 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.587 -11.985 -9.146 1.00 0.00 H new ATOM 1750 N LEU A 117 12.406 -5.903 2.415 1.00 0.00 N ATOM 1751 CA LEU A 117 11.195 -5.159 2.094 1.00 0.00 C ATOM 1752 C LEU A 117 10.021 -5.665 2.924 1.00 0.00 C ATOM 1753 O LEU A 117 8.996 -4.994 3.047 1.00 0.00 O ATOM 1754 CB LEU A 117 10.885 -5.245 0.586 1.00 0.00 C ATOM 1755 CG LEU A 117 10.203 -6.530 0.085 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.848 -7.771 0.685 1.00 0.00 C ATOM 1757 CD2 LEU A 117 8.708 -6.500 0.376 1.00 0.00 C ATOM 0 HA LEU A 117 11.359 -4.110 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.250 -4.399 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.821 -5.123 0.040 1.00 0.00 H new ATOM 0 HG LEU A 117 10.339 -6.577 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.342 -8.661 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.901 -7.806 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.764 -7.736 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.248 -7.419 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.548 -6.415 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.257 -5.645 -0.127 1.00 0.00 H new ATOM 1769 N ILE A 118 10.182 -6.855 3.496 1.00 0.00 N ATOM 1770 CA ILE A 118 9.143 -7.455 4.321 1.00 0.00 C ATOM 1771 C ILE A 118 8.849 -6.572 5.526 1.00 0.00 C ATOM 1772 O ILE A 118 7.707 -6.474 5.978 1.00 0.00 O ATOM 1773 CB ILE A 118 9.552 -8.864 4.804 1.00 0.00 C ATOM 1774 CG1 ILE A 118 9.330 -9.894 3.691 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.782 -9.252 6.060 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.881 -10.043 3.277 1.00 0.00 C ATOM 0 H ILE A 118 11.025 -7.422 3.402 1.00 0.00 H new ATOM 0 HA ILE A 118 8.247 -7.546 3.707 1.00 0.00 H new ATOM 0 HB ILE A 118 10.613 -8.847 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.919 -9.607 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.704 -10.862 4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.087 -10.248 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.994 -8.535 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.713 -9.251 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.803 -10.789 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.288 -10.361 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.507 -9.087 2.912 1.00 0.00 H new ATOM 1788 N ASP A 119 9.892 -5.929 6.034 1.00 0.00 N ATOM 1789 CA ASP A 119 9.765 -5.046 7.185 1.00 0.00 C ATOM 1790 C ASP A 119 8.678 -4.003 6.955 1.00 0.00 C ATOM 1791 O ASP A 119 7.881 -3.719 7.847 1.00 0.00 O ATOM 1792 CB ASP A 119 11.097 -4.353 7.460 1.00 0.00 C ATOM 1793 CG ASP A 119 11.824 -4.947 8.651 1.00 0.00 C ATOM 1794 OD1 ASP A 119 11.259 -4.922 9.765 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.958 -5.436 8.470 1.00 0.00 O ATOM 0 H ASP A 119 10.840 -6.003 5.665 1.00 0.00 H new ATOM 0 HA ASP A 119 9.485 -5.650 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.731 -4.428 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.921 -3.292 7.637 1.00 0.00 H new ATOM 1800 N ARG A 120 8.655 -3.439 5.752 1.00 0.00 N ATOM 1801 CA ARG A 120 7.674 -2.420 5.399 1.00 0.00 C ATOM 1802 C ARG A 120 6.255 -2.912 5.657 1.00 0.00 C ATOM 1803 O ARG A 120 5.396 -2.151 6.103 1.00 0.00 O ATOM 1804 CB ARG A 120 7.826 -2.018 3.928 1.00 0.00 C ATOM 1805 CG ARG A 120 9.027 -1.125 3.654 1.00 0.00 C ATOM 1806 CD ARG A 120 10.340 -1.853 3.900 1.00 0.00 C ATOM 1807 NE ARG A 120 11.497 -0.999 3.647 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.641 -1.090 4.317 1.00 0.00 C ATOM 1809 NH1 ARG A 120 12.778 -1.991 5.281 1.00 0.00 N ATOM 1810 NH2 ARG A 120 13.649 -0.279 4.027 1.00 0.00 N ATOM 0 H ARG A 120 9.307 -3.672 5.003 1.00 0.00 H new ATOM 0 HA ARG A 120 7.856 -1.549 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.910 -2.920 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.921 -1.502 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.993 -0.776 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.976 -0.242 4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.370 -2.208 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.392 -2.733 3.259 1.00 0.00 H new ATOM 0 HE ARG A 120 11.423 -0.293 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.004 -2.615 5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.657 -2.059 5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.547 0.417 3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.526 -0.351 4.543 1.00 0.00 H new ATOM 1824 N TYR A 121 6.012 -4.188 5.373 1.00 0.00 N ATOM 1825 CA TYR A 121 4.693 -4.773 5.577 1.00 0.00 C ATOM 1826 C TYR A 121 4.315 -4.753 7.054 1.00 0.00 C ATOM 1827 O TYR A 121 3.261 -4.239 7.427 1.00 0.00 O ATOM 1828 CB TYR A 121 4.656 -6.209 5.048 1.00 0.00 C ATOM 1829 CG TYR A 121 3.286 -6.850 5.123 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.787 -7.336 6.326 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.492 -6.970 3.989 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.538 -7.923 6.398 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.241 -7.556 4.053 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.769 -8.031 5.258 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.475 -8.614 5.325 1.00 0.00 O ATOM 0 H TYR A 121 6.709 -4.834 5.002 1.00 0.00 H new ATOM 0 HA TYR A 121 3.969 -4.174 5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.993 -6.214 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.362 -6.814 5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.386 -7.253 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.858 -6.600 3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.166 -8.295 7.341 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.636 -7.641 3.162 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.886 -8.611 4.435 1.00 0.00 H new ATOM 1845 N HIS A 122 5.180 -5.320 7.889 1.00 0.00 N ATOM 1846 CA HIS A 122 4.938 -5.370 9.327 1.00 0.00 C ATOM 1847 C HIS A 122 4.771 -3.969 9.907 1.00 0.00 C ATOM 1848 O HIS A 122 4.000 -3.765 10.845 1.00 0.00 O ATOM 1849 CB HIS A 122 6.087 -6.092 10.032 1.00 0.00 C ATOM 1850 CG HIS A 122 6.180 -7.547 9.692 1.00 0.00 C ATOM 1851 ND1 HIS A 122 5.848 -8.550 10.578 1.00 0.00 N ATOM 1852 CD2 HIS A 122 6.572 -8.167 8.553 1.00 0.00 C ATOM 1853 CE1 HIS A 122 6.032 -9.724 9.999 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.470 -9.519 8.772 1.00 0.00 N ATOM 0 H HIS A 122 6.056 -5.752 7.594 1.00 0.00 H new ATOM 0 HA HIS A 122 4.012 -5.921 9.492 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.026 -5.605 9.769 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.964 -5.987 11.110 1.00 0.00 H new ATOM 0 HD2 HIS A 122 6.903 -7.688 7.643 1.00 0.00 H new ATOM 0 HE1 HIS A 122 5.854 -10.687 10.454 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.697 -10.247 8.095 1.00 0.00 H new ATOM 1863 N PHE A 123 5.498 -3.010 9.345 1.00 0.00 N ATOM 1864 CA PHE A 123 5.431 -1.628 9.815 1.00 0.00 C ATOM 1865 C PHE A 123 4.069 -1.004 9.514 1.00 0.00 C ATOM 1866 O PHE A 123 3.400 -0.491 10.412 1.00 0.00 O ATOM 1867 CB PHE A 123 6.534 -0.785 9.169 1.00 0.00 C ATOM 1868 CG PHE A 123 7.933 -1.219 9.519 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.200 -1.875 10.712 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.983 -0.964 8.650 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.486 -2.268 11.029 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.270 -1.354 8.964 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.522 -2.007 10.154 1.00 0.00 C ATOM 0 H PHE A 123 6.139 -3.161 8.566 1.00 0.00 H new ATOM 0 HA PHE A 123 5.575 -1.643 10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.415 -0.821 8.086 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.403 0.255 9.469 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.394 -2.081 11.400 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.792 -0.455 7.717 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.681 -2.779 11.960 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.079 -1.148 8.279 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.528 -2.313 10.400 1.00 0.00 H new ATOM 1883 N LEU A 124 3.666 -1.050 8.248 1.00 0.00 N ATOM 1884 CA LEU A 124 2.391 -0.479 7.827 1.00 0.00 C ATOM 1885 C LEU A 124 1.220 -1.194 8.489 1.00 0.00 C ATOM 1886 O LEU A 124 0.286 -0.555 8.974 1.00 0.00 O ATOM 1887 CB LEU A 124 2.250 -0.555 6.305 1.00 0.00 C ATOM 1888 CG LEU A 124 0.875 -0.154 5.760 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.561 1.293 6.112 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.816 -0.364 4.256 1.00 0.00 C ATOM 0 H LEU A 124 4.205 -1.477 7.495 1.00 0.00 H new ATOM 0 HA LEU A 124 2.376 0.565 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.005 0.088 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.467 -1.574 5.986 1.00 0.00 H new ATOM 0 HG LEU A 124 0.122 -0.790 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.419 1.559 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.560 1.412 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.317 1.946 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.168 -0.074 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.579 0.246 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.994 -1.415 4.028 1.00 0.00 H new ATOM 1902 N ARG A 125 1.271 -2.522 8.492 1.00 0.00 N ATOM 1903 CA ARG A 125 0.217 -3.329 9.094 1.00 0.00 C ATOM 1904 C ARG A 125 -0.159 -2.798 10.475 1.00 0.00 C ATOM 1905 O ARG A 125 -1.334 -2.780 10.842 1.00 0.00 O ATOM 1906 CB ARG A 125 0.658 -4.790 9.201 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.430 -5.715 9.725 1.00 0.00 C ATOM 1908 CD ARG A 125 0.052 -7.154 9.809 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.005 -8.058 10.251 1.00 0.00 N ATOM 1910 CZ ARG A 125 -0.837 -9.366 10.422 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.345 -9.923 10.194 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -1.852 -10.119 10.824 1.00 0.00 N ATOM 0 H ARG A 125 2.033 -3.063 8.083 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.660 -3.268 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.978 -5.138 8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.525 -4.852 9.859 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.750 -5.380 10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.301 -5.660 9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.417 -7.472 8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.894 -7.215 10.499 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.926 -7.663 10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.129 -9.348 9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.470 -10.927 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.762 -9.695 11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.722 -11.122 10.955 1.00 0.00 H new ATOM 1926 N GLY A 126 0.842 -2.366 11.237 1.00 0.00 N ATOM 1927 CA GLY A 126 0.589 -1.843 12.567 1.00 0.00 C ATOM 1928 C GLY A 126 -0.047 -0.467 12.550 1.00 0.00 C ATOM 1929 O GLY A 126 -0.798 -0.115 13.461 1.00 0.00 O ATOM 0 H GLY A 126 1.823 -2.369 10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.062 -2.532 13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.528 -1.797 13.118 1.00 0.00 H new ATOM 1933 N PHE A 127 0.248 0.315 11.516 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.301 1.661 11.387 1.00 0.00 C ATOM 1935 C PHE A 127 -1.784 1.613 11.025 1.00 0.00 C ATOM 1936 O PHE A 127 -2.566 2.460 11.454 1.00 0.00 O ATOM 1937 CB PHE A 127 0.481 2.439 10.323 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.149 3.745 9.924 1.00 0.00 C ATOM 1939 CD1 PHE A 127 0.045 4.887 10.684 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.932 3.828 8.783 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.531 6.088 10.313 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.509 5.026 8.408 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.309 6.158 9.173 1.00 0.00 C ATOM 0 H PHE A 127 0.866 0.039 10.753 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.205 2.169 12.347 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.486 2.633 10.697 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.586 1.814 9.436 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.653 4.839 11.576 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.093 2.946 8.180 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.373 6.971 10.914 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.116 5.077 7.517 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.759 7.095 8.881 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.160 0.614 10.234 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.545 0.449 9.813 1.00 0.00 C ATOM 1955 C ALA A 128 -4.450 0.151 11.004 1.00 0.00 C ATOM 1956 O ALA A 128 -5.673 0.251 10.904 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.652 -0.661 8.777 1.00 0.00 C ATOM 0 H ALA A 128 -1.523 -0.095 9.871 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.876 1.385 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.692 -0.774 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.044 -0.408 7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.297 -1.597 9.209 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.843 -0.215 12.128 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.597 -0.525 13.336 1.00 0.00 C ATOM 1965 C ALA A 129 -5.071 0.751 14.022 1.00 0.00 C ATOM 1966 O ALA A 129 -6.063 0.744 14.751 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.750 -1.357 14.288 1.00 0.00 C ATOM 0 H ALA A 129 -2.832 -0.304 12.227 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.476 -1.104 13.052 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.326 -1.581 15.186 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.462 -2.288 13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.855 -0.799 14.561 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.353 1.844 13.781 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.715 3.116 14.378 1.00 0.00 C ATOM 1975 C GLY A 130 -5.792 3.831 13.588 1.00 0.00 C ATOM 1976 O GLY A 130 -6.300 4.868 14.014 1.00 0.00 O ATOM 0 H GLY A 130 -3.527 1.871 13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.063 2.951 15.398 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.831 3.751 14.442 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.137 3.274 12.432 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.161 3.856 11.575 1.00 0.00 C ATOM 1982 C HIS A 131 -8.557 3.481 12.064 1.00 0.00 C ATOM 1983 O HIS A 131 -8.768 2.380 12.574 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.969 3.389 10.130 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.124 4.313 9.310 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.537 5.573 8.932 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.883 4.156 8.792 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.589 6.150 8.217 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.574 5.312 8.118 1.00 0.00 N ATOM 0 H HIS A 131 -5.720 2.417 12.067 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.062 4.941 11.615 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.512 2.399 10.134 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.946 3.287 9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.253 3.284 8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.636 7.139 7.786 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.702 5.494 7.621 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.532 4.396 11.915 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.914 4.152 12.344 1.00 0.00 C ATOM 2000 C PRO A 132 -11.565 3.015 11.564 1.00 0.00 C ATOM 2001 O PRO A 132 -12.510 2.384 12.038 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.625 5.478 12.055 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.781 6.154 11.031 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.368 5.733 11.316 1.00 0.00 C ATOM 0 HA PRO A 132 -10.967 3.850 13.390 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.636 5.311 11.685 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.712 6.084 12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -11.080 5.862 10.024 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.885 7.237 11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.767 5.697 10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.872 6.423 11.999 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.052 2.759 10.365 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.577 1.695 9.518 1.00 0.00 C ATOM 2014 C GLU A 133 -10.701 0.454 9.601 1.00 0.00 C ATOM 2015 O GLU A 133 -10.792 -0.438 8.759 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.675 2.162 8.068 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.803 3.146 7.830 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.482 4.541 8.328 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.658 5.226 7.686 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -13.054 4.948 9.361 1.00 0.00 O ATOM 0 H GLU A 133 -10.272 3.275 9.958 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.575 1.443 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.732 2.624 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.817 1.295 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.023 3.188 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.704 2.786 8.327 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.844 0.419 10.616 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.944 -0.708 10.830 1.00 0.00 C ATOM 2029 C ALA A 134 -9.651 -2.033 10.577 1.00 0.00 C ATOM 2030 O ALA A 134 -9.105 -2.921 9.923 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.380 -0.672 12.242 1.00 0.00 C ATOM 0 H ALA A 134 -9.754 1.164 11.307 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.123 -0.623 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.710 -1.519 12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.829 0.257 12.390 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.197 -0.728 12.962 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.864 -2.162 11.103 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.648 -3.376 10.929 1.00 0.00 C ATOM 2039 C ALA A 135 -11.781 -3.752 9.455 1.00 0.00 C ATOM 2040 O ALA A 135 -11.626 -4.915 9.087 1.00 0.00 O ATOM 2041 CB ALA A 135 -13.023 -3.211 11.559 1.00 0.00 C ATOM 0 H ALA A 135 -11.325 -1.438 11.654 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.121 -4.187 11.432 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.599 -4.126 11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.913 -3.008 12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.544 -2.380 11.083 1.00 0.00 H new ATOM 2047 N ALA A 136 -12.076 -2.766 8.617 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.233 -3.006 7.186 1.00 0.00 C ATOM 2049 C ALA A 136 -10.893 -3.292 6.511 1.00 0.00 C ATOM 2050 O ALA A 136 -10.807 -4.125 5.609 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.910 -1.813 6.527 1.00 0.00 C ATOM 0 H ALA A 136 -12.211 -1.796 8.901 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.860 -3.889 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -13.022 -2.002 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.892 -1.660 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.301 -0.921 6.675 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.852 -2.593 6.949 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.517 -2.755 6.380 1.00 0.00 C ATOM 2059 C ILE A 137 -7.929 -4.147 6.618 1.00 0.00 C ATOM 2060 O ILE A 137 -7.498 -4.809 5.674 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.550 -1.700 6.949 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.045 -0.294 6.605 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.143 -1.923 6.415 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.275 0.806 7.300 1.00 0.00 C ATOM 0 H ILE A 137 -9.907 -1.905 7.700 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.632 -2.621 5.304 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.519 -1.800 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.978 -0.148 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.099 -0.213 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.473 -1.168 6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.796 -2.914 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.150 -1.846 5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.681 1.775 7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.363 0.686 8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.225 0.752 7.013 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.906 -4.591 7.873 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.332 -5.893 8.204 1.00 0.00 C ATOM 2078 C TYR A 138 -8.139 -7.036 7.591 1.00 0.00 C ATOM 2079 O TYR A 138 -7.574 -8.044 7.171 1.00 0.00 O ATOM 2080 CB TYR A 138 -7.215 -6.066 9.725 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.394 -6.759 10.373 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.536 -6.052 10.717 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -8.357 -8.121 10.646 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.612 -6.681 11.315 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.429 -8.759 11.243 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.553 -8.034 11.575 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.622 -8.663 12.170 1.00 0.00 O ATOM 0 H TYR A 138 -8.275 -4.074 8.671 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.331 -5.929 7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.311 -6.634 9.944 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.092 -5.084 10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.586 -4.992 10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.477 -8.691 10.388 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.494 -6.116 11.577 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.386 -9.819 11.448 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.420 -9.615 12.282 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.457 -6.880 7.543 1.00 0.00 N ATOM 2098 CA ARG A 139 -10.316 -7.911 6.970 1.00 0.00 C ATOM 2099 C ARG A 139 -10.147 -7.956 5.457 1.00 0.00 C ATOM 2100 O ARG A 139 -10.246 -9.017 4.842 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.783 -7.662 7.331 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.367 -6.414 6.690 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.824 -6.217 7.076 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.007 -6.175 8.524 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.027 -5.564 9.121 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.945 -4.937 8.398 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.128 -5.580 10.443 1.00 0.00 N ATOM 0 H ARG A 139 -9.951 -6.058 7.890 1.00 0.00 H new ATOM 0 HA ARG A 139 -10.020 -8.873 7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.374 -8.526 7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.872 -7.579 8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.788 -5.542 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.284 -6.488 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -14.193 -5.290 6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -14.422 -7.027 6.659 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.314 -6.640 9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.870 -4.922 7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.726 -4.470 8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -14.424 -6.061 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -15.910 -5.111 10.900 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.888 -6.794 4.866 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.697 -6.697 3.426 1.00 0.00 C ATOM 2123 C ALA A 140 -8.435 -7.438 2.996 1.00 0.00 C ATOM 2124 O ALA A 140 -8.378 -8.003 1.903 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.631 -5.241 2.993 1.00 0.00 C ATOM 0 H ALA A 140 -9.806 -5.907 5.363 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.552 -7.165 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.488 -5.189 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.561 -4.739 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.797 -4.750 3.494 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.426 -7.431 3.862 1.00 0.00 N ATOM 2132 CA ILE A 141 -6.166 -8.107 3.572 1.00 0.00 C ATOM 2133 C ILE A 141 -6.171 -9.538 4.101 1.00 0.00 C ATOM 2134 O ILE A 141 -5.346 -10.360 3.701 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.964 -7.354 4.174 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -5.066 -7.313 5.701 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.885 -5.944 3.606 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.822 -6.778 6.378 1.00 0.00 C ATOM 0 H ILE A 141 -7.456 -6.965 4.769 1.00 0.00 H new ATOM 0 HA ILE A 141 -6.065 -8.123 2.487 1.00 0.00 H new ATOM 0 HB ILE A 141 -4.052 -7.887 3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.918 -6.694 5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -5.266 -8.319 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -4.031 -5.424 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.767 -5.994 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.800 -5.403 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.967 -6.778 7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.970 -7.410 6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.632 -5.760 6.038 1.00 0.00 H new ATOM 2150 N ASP A 142 -7.103 -9.829 5.003 1.00 0.00 N ATOM 2151 CA ASP A 142 -7.212 -11.160 5.588 1.00 0.00 C ATOM 2152 C ASP A 142 -8.130 -12.048 4.755 1.00 0.00 C ATOM 2153 O ASP A 142 -7.638 -12.662 3.785 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.734 -11.068 7.022 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.859 -12.427 7.682 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -6.842 -12.929 8.205 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.975 -12.990 7.678 1.00 0.00 O ATOM 2158 OXT ASP A 142 -9.334 -12.124 5.081 1.00 0.00 O ATOM 0 H ASP A 142 -7.794 -9.161 5.345 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.218 -11.607 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.063 -10.442 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.707 -10.577 7.020 1.00 0.00 H new