USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 985 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 0:sc= -2.39! USER MOD Set 1.2: A 34 ASN : amide:sc= -0.0044 K(o=-9.5,f=-13!) USER MOD Set 1.3: A 52 GLN : amide:sc= -5.99 X(o=-9.5,f=-9.3!) USER MOD Set 1.4: A 95 MET CE :methyl 155:sc= -1.08 (180deg=-0.0493) USER MOD Set 2.1: A 12 SER OG : rot -161:sc= -0.0622 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -3.95! C(o=-4!,f=-11!) USER MOD Set 3.1: A 7 THR OG1 : rot -7:sc= 0.823 USER MOD Set 3.2: A 85 SER OG : rot 155:sc= 0.182 USER MOD Single : A 6 THR OG1 : rot -17:sc= 0.59 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0111 F(o=-1.3,f=-0.011) USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.192 F(o=-0.67,f=0.19) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 31 SER OG : rot 180:sc= -0.115 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0313) USER MOD Single : A 40 THR OG1 : rot 25:sc= 0.12 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.282 F(o=-3.2!,f=-0.28) USER MOD Single : A 49 GLN :FLIP amide:sc= 0.0234 F(o=-2.6,f=0.023) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00698 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 66:sc= 1.33 USER MOD Single : A 69 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 70 SER OG : rot 86:sc= 1.09 USER MOD Single : A 81 MET CE :methyl -169:sc= -4.16! (180deg=-4.81!) USER MOD Single : A 84 TYR OH : rot 41:sc= 0.519 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.0075) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -33:sc= 0.491 USER MOD Single : A 128 MET CE :methyl -134:sc= -1.15 (180deg=-2.34!) USER MOD Single : A 133 SER OG : rot -81:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 16.997 -3.122 4.322 1.00 0.00 N ATOM 63 CA LEU A 5 15.708 -2.554 3.951 1.00 0.00 C ATOM 64 C LEU A 5 14.626 -2.965 4.935 1.00 0.00 C ATOM 65 O LEU A 5 14.886 -3.659 5.917 1.00 0.00 O ATOM 66 CB LEU A 5 15.321 -2.999 2.539 1.00 0.00 C ATOM 67 CG LEU A 5 15.342 -1.899 1.477 1.00 0.00 C ATOM 68 CD1 LEU A 5 16.718 -1.257 1.398 1.00 0.00 C ATOM 69 CD2 LEU A 5 14.937 -2.466 0.125 1.00 0.00 C ATOM 0 HA LEU A 5 15.800 -1.468 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.999 -3.794 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.320 -3.429 2.573 1.00 0.00 H new ATOM 0 HG LEU A 5 14.624 -1.129 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.712 -0.477 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 5 16.971 -0.820 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.458 -2.013 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.956 -1.673 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.634 -3.253 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.930 -2.879 0.190 1.00 0.00 H new ATOM 81 N THR A 6 13.413 -2.516 4.658 1.00 0.00 N ATOM 82 CA THR A 6 12.267 -2.803 5.501 1.00 0.00 C ATOM 83 C THR A 6 10.980 -2.636 4.697 1.00 0.00 C ATOM 84 O THR A 6 10.973 -1.952 3.680 1.00 0.00 O ATOM 85 CB THR A 6 12.258 -1.866 6.723 1.00 0.00 C ATOM 86 OG1 THR A 6 13.477 -2.013 7.461 1.00 0.00 O ATOM 87 CG2 THR A 6 11.078 -2.156 7.639 1.00 0.00 C ATOM 0 H THR A 6 13.196 -1.943 3.843 1.00 0.00 H new ATOM 0 HA THR A 6 12.334 -3.832 5.854 1.00 0.00 H new ATOM 0 HB THR A 6 12.166 -0.844 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.917 -2.850 7.203 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.103 -1.476 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.147 -2.015 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.137 -3.185 7.994 1.00 0.00 H new ATOM 95 N THR A 7 9.899 -3.275 5.127 1.00 0.00 N ATOM 96 CA THR A 7 8.628 -3.163 4.423 1.00 0.00 C ATOM 97 C THR A 7 7.512 -2.759 5.368 1.00 0.00 C ATOM 98 O THR A 7 6.907 -3.603 6.025 1.00 0.00 O ATOM 99 CB THR A 7 8.223 -4.474 3.718 1.00 0.00 C ATOM 100 OG1 THR A 7 9.288 -4.925 2.873 1.00 0.00 O ATOM 101 CG2 THR A 7 6.957 -4.276 2.886 1.00 0.00 C ATOM 0 H THR A 7 9.876 -3.872 5.954 1.00 0.00 H new ATOM 0 HA THR A 7 8.775 -2.393 3.666 1.00 0.00 H new ATOM 0 HB THR A 7 8.023 -5.224 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.992 -4.244 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.691 -5.214 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.140 -3.961 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.135 -3.512 2.129 1.00 0.00 H new ATOM 109 N LEU A 8 7.248 -1.464 5.445 1.00 0.00 N ATOM 110 CA LEU A 8 6.186 -0.966 6.277 1.00 0.00 C ATOM 111 C LEU A 8 4.927 -0.870 5.444 1.00 0.00 C ATOM 112 O LEU A 8 4.930 -0.279 4.372 1.00 0.00 O ATOM 113 CB LEU A 8 6.520 0.403 6.843 1.00 0.00 C ATOM 114 CG LEU A 8 5.295 1.168 7.306 1.00 0.00 C ATOM 115 CD1 LEU A 8 5.436 1.606 8.746 1.00 0.00 C ATOM 116 CD2 LEU A 8 5.040 2.348 6.398 1.00 0.00 C ATOM 0 H LEU A 8 7.761 -0.744 4.936 1.00 0.00 H new ATOM 0 HA LEU A 8 6.046 -1.650 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.207 0.286 7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.041 0.987 6.084 1.00 0.00 H new ATOM 0 HG LEU A 8 4.434 0.502 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.543 2.152 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.559 0.730 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.308 2.253 8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.158 2.888 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.903 3.014 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.875 1.995 5.380 1.00 0.00 H new ATOM 128 N ILE A 9 3.857 -1.445 5.934 1.00 0.00 N ATOM 129 CA ILE A 9 2.604 -1.415 5.219 1.00 0.00 C ATOM 130 C ILE A 9 1.538 -0.816 6.114 1.00 0.00 C ATOM 131 O ILE A 9 1.615 -0.945 7.328 1.00 0.00 O ATOM 132 CB ILE A 9 2.231 -2.832 4.742 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.333 -3.351 3.809 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.878 -2.842 4.048 1.00 0.00 C ATOM 135 CD1 ILE A 9 3.094 -4.747 3.292 1.00 0.00 C ATOM 0 H ILE A 9 3.828 -1.940 6.825 1.00 0.00 H new ATOM 0 HA ILE A 9 2.692 -0.791 4.330 1.00 0.00 H new ATOM 0 HB ILE A 9 2.150 -3.490 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.426 -2.672 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.284 -3.330 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.643 -3.856 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.111 -2.496 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.909 -2.181 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.917 -5.040 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.031 -5.440 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.160 -4.772 2.730 1.00 0.00 H new ATOM 147 N TYR A 10 0.571 -0.126 5.533 1.00 0.00 N ATOM 148 CA TYR A 10 -0.461 0.509 6.333 1.00 0.00 C ATOM 149 C TYR A 10 -1.713 0.770 5.521 1.00 0.00 C ATOM 150 O TYR A 10 -1.639 1.088 4.336 1.00 0.00 O ATOM 151 CB TYR A 10 0.063 1.833 6.885 1.00 0.00 C ATOM 152 CG TYR A 10 0.653 2.724 5.818 1.00 0.00 C ATOM 153 CD1 TYR A 10 1.954 2.532 5.379 1.00 0.00 C ATOM 154 CD2 TYR A 10 -0.086 3.752 5.249 1.00 0.00 C ATOM 155 CE1 TYR A 10 2.505 3.336 4.404 1.00 0.00 C ATOM 156 CE2 TYR A 10 0.459 4.562 4.272 1.00 0.00 C ATOM 157 CZ TYR A 10 1.756 4.350 3.854 1.00 0.00 C ATOM 158 OH TYR A 10 2.306 5.152 2.881 1.00 0.00 O ATOM 0 H TYR A 10 0.479 0.007 4.526 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.717 -0.168 7.148 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.751 2.361 7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.821 1.630 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.547 1.738 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.102 3.921 5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.520 3.170 4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.128 5.358 3.837 1.00 0.00 H new ATOM 0 HH TYR A 10 3.226 4.866 2.703 1.00 0.00 H new ATOM 168 N ARG A 11 -2.860 0.645 6.166 1.00 0.00 N ATOM 169 CA ARG A 11 -4.125 0.897 5.496 1.00 0.00 C ATOM 170 C ARG A 11 -4.867 2.030 6.175 1.00 0.00 C ATOM 171 O ARG A 11 -4.997 2.066 7.399 1.00 0.00 O ATOM 172 CB ARG A 11 -5.007 -0.353 5.447 1.00 0.00 C ATOM 173 CG ARG A 11 -5.505 -0.822 6.801 1.00 0.00 C ATOM 174 CD ARG A 11 -6.739 -1.696 6.669 1.00 0.00 C ATOM 175 NE ARG A 11 -7.108 -2.308 7.942 1.00 0.00 N ATOM 176 CZ ARG A 11 -8.354 -2.630 8.277 1.00 0.00 C ATOM 177 NH1 ARG A 11 -9.351 -2.402 7.433 1.00 0.00 N ATOM 178 NH2 ARG A 11 -8.603 -3.181 9.456 1.00 0.00 N ATOM 0 H ARG A 11 -2.942 0.373 7.146 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.896 1.181 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.866 -0.152 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.445 -1.162 4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.716 -1.379 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.735 0.042 7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.571 -1.097 6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.555 -2.476 5.930 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.366 -2.500 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.163 -1.979 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.306 -2.650 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.839 -3.359 10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.559 -3.428 9.712 1.00 0.00 H new ATOM 192 N SER A 12 -5.342 2.960 5.369 1.00 0.00 N ATOM 193 CA SER A 12 -6.080 4.098 5.868 1.00 0.00 C ATOM 194 C SER A 12 -7.464 4.074 5.275 1.00 0.00 C ATOM 195 O SER A 12 -7.912 3.044 4.772 1.00 0.00 O ATOM 196 CB SER A 12 -5.375 5.404 5.496 1.00 0.00 C ATOM 197 OG SER A 12 -5.190 5.504 4.095 1.00 0.00 O ATOM 0 H SER A 12 -5.227 2.946 4.356 1.00 0.00 H new ATOM 0 HA SER A 12 -6.138 4.042 6.955 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.963 6.251 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.409 5.455 5.998 1.00 0.00 H new ATOM 0 HG SER A 12 -4.498 6.171 3.903 1.00 0.00 H new ATOM 203 N GLN A 13 -8.144 5.196 5.330 1.00 0.00 N ATOM 204 CA GLN A 13 -9.465 5.272 4.765 1.00 0.00 C ATOM 205 C GLN A 13 -9.573 6.452 3.819 1.00 0.00 C ATOM 206 O GLN A 13 -8.715 6.668 2.965 1.00 0.00 O ATOM 207 CB GLN A 13 -10.528 5.344 5.858 1.00 0.00 C ATOM 208 CG GLN A 13 -10.425 4.240 6.882 1.00 0.00 C ATOM 209 CD GLN A 13 -11.757 3.922 7.521 1.00 0.00 C ATOM 210 OE1 GLN A 13 -12.616 4.927 7.606 1.00 0.00 O flip ATOM 211 NE2 GLN A 13 -12.011 2.789 7.933 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.806 6.059 5.756 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.642 4.361 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.450 6.306 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.514 5.307 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.030 3.342 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.714 4.530 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.317 2.047 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.916 2.593 8.362 1.00 0.00 H new ATOM 220 N VAL A 14 -10.636 7.194 3.984 1.00 0.00 N ATOM 221 CA VAL A 14 -10.917 8.357 3.160 1.00 0.00 C ATOM 222 C VAL A 14 -12.139 9.078 3.709 1.00 0.00 C ATOM 223 O VAL A 14 -12.686 8.681 4.734 1.00 0.00 O ATOM 224 CB VAL A 14 -11.199 7.933 1.707 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.632 7.450 1.586 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.918 9.073 0.736 1.00 0.00 C ATOM 0 H VAL A 14 -11.342 7.013 4.698 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.049 9.016 3.177 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.529 7.114 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.829 7.150 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.786 6.598 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.312 8.254 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.126 8.744 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.555 9.924 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.872 9.369 0.815 1.00 0.00 H new ATOM 236 N HIS A 15 -12.573 10.122 3.025 1.00 0.00 N ATOM 237 CA HIS A 15 -13.739 10.867 3.443 1.00 0.00 C ATOM 238 C HIS A 15 -14.975 10.404 2.675 1.00 0.00 C ATOM 239 O HIS A 15 -15.218 10.859 1.557 1.00 0.00 O ATOM 240 CB HIS A 15 -13.518 12.344 3.207 1.00 0.00 C ATOM 241 CG HIS A 15 -12.735 13.019 4.283 1.00 0.00 C ATOM 242 ND1 HIS A 15 -11.408 13.238 4.390 1.00 0.00 N flip ATOM 243 CD2 HIS A 15 -13.307 13.565 5.412 1.00 0.00 C flip ATOM 244 CE1 HIS A 15 -11.199 13.906 5.571 1.00 0.00 C flip ATOM 245 NE2 HIS A 15 -12.362 14.093 6.169 1.00 0.00 N flip ATOM 0 H HIS A 15 -12.131 10.471 2.175 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.900 10.690 4.506 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.000 12.476 2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.486 12.836 3.113 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.693 12.959 3.718 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.362 13.562 5.642 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.240 14.227 5.950 1.00 0.00 H new ATOM 254 N PRO A 16 -15.771 9.491 3.259 1.00 0.00 N ATOM 255 CA PRO A 16 -16.988 8.976 2.619 1.00 0.00 C ATOM 256 C PRO A 16 -17.960 10.082 2.237 1.00 0.00 C ATOM 257 O PRO A 16 -18.940 9.852 1.529 1.00 0.00 O ATOM 258 CB PRO A 16 -17.607 8.079 3.688 1.00 0.00 C ATOM 259 CG PRO A 16 -16.956 8.487 4.965 1.00 0.00 C ATOM 260 CD PRO A 16 -15.564 8.885 4.584 1.00 0.00 C ATOM 0 HA PRO A 16 -16.761 8.459 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.688 8.213 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.425 7.026 3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.489 9.315 5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.949 7.667 5.683 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.133 9.592 5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.892 8.028 4.540 1.00 0.00 H new ATOM 268 N ASP A 17 -17.675 11.280 2.718 1.00 0.00 N ATOM 269 CA ASP A 17 -18.522 12.437 2.447 1.00 0.00 C ATOM 270 C ASP A 17 -17.961 13.317 1.328 1.00 0.00 C ATOM 271 O ASP A 17 -18.718 14.001 0.638 1.00 0.00 O ATOM 272 CB ASP A 17 -18.696 13.266 3.721 1.00 0.00 C ATOM 273 CG ASP A 17 -19.670 14.412 3.536 1.00 0.00 C ATOM 274 OD1 ASP A 17 -19.236 15.496 3.092 1.00 0.00 O ATOM 275 OD2 ASP A 17 -20.870 14.227 3.835 1.00 0.00 O ATOM 0 H ASP A 17 -16.862 11.481 3.300 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.489 12.061 2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.047 12.621 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.728 13.662 4.029 1.00 0.00 H new ATOM 280 N ARG A 18 -16.641 13.307 1.144 1.00 0.00 N ATOM 281 CA ARG A 18 -16.013 14.121 0.108 1.00 0.00 C ATOM 282 C ARG A 18 -16.051 13.398 -1.248 1.00 0.00 C ATOM 283 O ARG A 18 -16.572 12.286 -1.335 1.00 0.00 O ATOM 284 CB ARG A 18 -14.581 14.449 0.532 1.00 0.00 C ATOM 285 CG ARG A 18 -13.561 13.439 0.098 1.00 0.00 C ATOM 286 CD ARG A 18 -12.176 13.894 0.493 1.00 0.00 C ATOM 287 NE ARG A 18 -12.201 14.933 1.523 1.00 0.00 N ATOM 288 CZ ARG A 18 -11.260 15.862 1.659 1.00 0.00 C ATOM 289 NH1 ARG A 18 -10.216 15.881 0.841 1.00 0.00 N ATOM 290 NH2 ARG A 18 -11.364 16.773 2.617 1.00 0.00 N ATOM 0 H ARG A 18 -15.991 12.747 1.696 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.565 15.053 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.308 15.422 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.548 14.538 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.778 12.473 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.612 13.301 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.606 13.039 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.656 14.272 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.986 14.945 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.133 15.181 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.496 16.596 0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.165 16.760 3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.643 17.487 2.723 1.00 0.00 H new ATOM 304 N PRO A 19 -15.505 14.006 -2.333 1.00 0.00 N ATOM 305 CA PRO A 19 -15.510 13.400 -3.660 1.00 0.00 C ATOM 306 C PRO A 19 -14.333 12.442 -3.866 1.00 0.00 C ATOM 307 O PRO A 19 -13.482 12.301 -2.988 1.00 0.00 O ATOM 308 CB PRO A 19 -15.412 14.610 -4.607 1.00 0.00 C ATOM 309 CG PRO A 19 -15.186 15.815 -3.741 1.00 0.00 C ATOM 310 CD PRO A 19 -14.833 15.309 -2.372 1.00 0.00 C ATOM 0 HA PRO A 19 -16.397 12.789 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.593 14.483 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.325 14.719 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.384 16.434 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.080 16.437 -3.704 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.755 15.214 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.193 15.975 -1.588 1.00 0.00 H new ATOM 318 N PRO A 20 -14.271 11.765 -5.032 1.00 0.00 N ATOM 319 CA PRO A 20 -13.196 10.811 -5.341 1.00 0.00 C ATOM 320 C PRO A 20 -11.803 11.424 -5.222 1.00 0.00 C ATOM 321 O PRO A 20 -11.650 12.642 -5.131 1.00 0.00 O ATOM 322 CB PRO A 20 -13.477 10.405 -6.789 1.00 0.00 C ATOM 323 CG PRO A 20 -14.927 10.679 -6.990 1.00 0.00 C ATOM 324 CD PRO A 20 -15.241 11.873 -6.136 1.00 0.00 C ATOM 0 HA PRO A 20 -13.193 9.976 -4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.866 10.979 -7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.247 9.353 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.145 10.880 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.531 9.820 -6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.120 12.805 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.268 11.849 -5.773 1.00 0.00 H new ATOM 332 N VAL A 21 -10.792 10.558 -5.222 1.00 0.00 N ATOM 333 CA VAL A 21 -9.403 10.982 -5.111 1.00 0.00 C ATOM 334 C VAL A 21 -8.721 11.029 -6.474 1.00 0.00 C ATOM 335 O VAL A 21 -9.118 10.325 -7.402 1.00 0.00 O ATOM 336 CB VAL A 21 -8.604 10.017 -4.223 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.161 10.453 -4.131 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.204 9.904 -2.838 1.00 0.00 C ATOM 0 H VAL A 21 -10.914 9.548 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.419 11.979 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.649 9.032 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.610 9.757 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.720 10.464 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.110 11.453 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.611 9.212 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.208 10.885 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.226 9.534 -2.913 1.00 0.00 H new ATOM 348 N ASP A 22 -7.693 11.867 -6.583 1.00 0.00 N ATOM 349 CA ASP A 22 -6.926 11.975 -7.812 1.00 0.00 C ATOM 350 C ASP A 22 -5.855 10.902 -7.832 1.00 0.00 C ATOM 351 O ASP A 22 -4.674 11.195 -7.902 1.00 0.00 O ATOM 352 CB ASP A 22 -6.292 13.361 -7.945 1.00 0.00 C ATOM 353 CG ASP A 22 -5.659 13.836 -6.650 1.00 0.00 C ATOM 354 OD1 ASP A 22 -6.367 14.476 -5.845 1.00 0.00 O ATOM 355 OD2 ASP A 22 -4.457 13.569 -6.444 1.00 0.00 O ATOM 0 H ASP A 22 -7.375 12.480 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.599 11.834 -8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.535 13.337 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.052 14.077 -8.258 1.00 0.00 H new ATOM 360 N LEU A 23 -6.306 9.660 -7.767 1.00 0.00 N ATOM 361 CA LEU A 23 -5.445 8.483 -7.757 1.00 0.00 C ATOM 362 C LEU A 23 -4.444 8.442 -8.904 1.00 0.00 C ATOM 363 O LEU A 23 -3.744 7.454 -9.078 1.00 0.00 O ATOM 364 CB LEU A 23 -6.329 7.258 -7.803 1.00 0.00 C ATOM 365 CG LEU A 23 -7.499 7.313 -6.829 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.489 6.204 -7.119 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.990 7.200 -5.402 1.00 0.00 C ATOM 0 H LEU A 23 -7.300 9.435 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.848 8.518 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.715 7.137 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.726 6.377 -7.584 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.009 8.269 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.317 6.261 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.870 6.313 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.993 5.238 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.832 7.240 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.463 6.254 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.309 8.025 -5.192 1.00 0.00 H new ATOM 379 N ASP A 24 -4.425 9.472 -9.719 1.00 0.00 N ATOM 380 CA ASP A 24 -3.470 9.564 -10.805 1.00 0.00 C ATOM 381 C ASP A 24 -2.384 10.532 -10.396 1.00 0.00 C ATOM 382 O ASP A 24 -1.191 10.303 -10.592 1.00 0.00 O ATOM 383 CB ASP A 24 -4.159 10.055 -12.063 1.00 0.00 C ATOM 384 CG ASP A 24 -3.462 9.598 -13.328 1.00 0.00 C ATOM 385 OD1 ASP A 24 -2.533 10.299 -13.781 1.00 0.00 O ATOM 386 OD2 ASP A 24 -3.842 8.535 -13.864 1.00 0.00 O ATOM 0 H ASP A 24 -5.064 10.264 -9.651 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.040 8.584 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.189 9.698 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.199 11.144 -12.049 1.00 0.00 H new ATOM 391 N ALA A 25 -2.850 11.621 -9.817 1.00 0.00 N ATOM 392 CA ALA A 25 -1.997 12.692 -9.328 1.00 0.00 C ATOM 393 C ALA A 25 -1.489 12.395 -7.916 1.00 0.00 C ATOM 394 O ALA A 25 -0.406 12.834 -7.518 1.00 0.00 O ATOM 395 CB ALA A 25 -2.779 13.998 -9.341 1.00 0.00 C ATOM 0 H ALA A 25 -3.845 11.791 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.129 12.774 -9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.145 14.806 -8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.099 14.220 -10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.654 13.904 -8.698 1.00 0.00 H new ATOM 401 N LEU A 26 -2.281 11.621 -7.184 1.00 0.00 N ATOM 402 CA LEU A 26 -1.987 11.256 -5.808 1.00 0.00 C ATOM 403 C LEU A 26 -0.782 10.331 -5.734 1.00 0.00 C ATOM 404 O LEU A 26 0.066 10.460 -4.851 1.00 0.00 O ATOM 405 CB LEU A 26 -3.242 10.595 -5.208 1.00 0.00 C ATOM 406 CG LEU A 26 -3.022 9.468 -4.191 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.268 9.285 -3.346 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.689 8.159 -4.886 1.00 0.00 C ATOM 0 H LEU A 26 -3.154 11.226 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.732 12.146 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.836 11.372 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.840 10.198 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.181 9.747 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.105 8.483 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.486 10.211 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.110 9.029 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.538 7.379 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.511 7.877 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.779 8.280 -5.473 1.00 0.00 H new ATOM 420 N VAL A 27 -0.722 9.400 -6.671 1.00 0.00 N ATOM 421 CA VAL A 27 0.363 8.432 -6.728 1.00 0.00 C ATOM 422 C VAL A 27 1.570 8.978 -7.484 1.00 0.00 C ATOM 423 O VAL A 27 2.713 8.729 -7.104 1.00 0.00 O ATOM 424 CB VAL A 27 -0.109 7.123 -7.391 1.00 0.00 C ATOM 425 CG1 VAL A 27 -1.112 7.427 -8.487 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.065 6.324 -7.941 1.00 0.00 C ATOM 0 H VAL A 27 -1.418 9.293 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 27 0.665 8.230 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.593 6.511 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.439 6.496 -8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.972 7.942 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.646 8.062 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.697 5.407 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.592 6.919 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.747 6.073 -7.129 1.00 0.00 H new ATOM 436 N HIS A 28 1.309 9.720 -8.556 1.00 0.00 N ATOM 437 CA HIS A 28 2.379 10.285 -9.370 1.00 0.00 C ATOM 438 C HIS A 28 3.351 11.097 -8.518 1.00 0.00 C ATOM 439 O HIS A 28 4.557 10.839 -8.522 1.00 0.00 O ATOM 440 CB HIS A 28 1.801 11.162 -10.479 1.00 0.00 C ATOM 441 CG HIS A 28 2.754 11.404 -11.609 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.165 12.664 -11.991 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.374 10.538 -12.446 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.994 12.562 -13.016 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.137 11.284 -13.310 1.00 0.00 N ATOM 0 H HIS A 28 0.368 9.943 -8.880 1.00 0.00 H new ATOM 0 HA HIS A 28 2.927 9.457 -9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.899 10.692 -10.870 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.503 12.121 -10.055 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.285 9.462 -12.436 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.473 13.385 -13.526 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.720 10.910 -14.059 1.00 0.00 H new ATOM 454 N ARG A 29 2.823 12.072 -7.783 1.00 0.00 N ATOM 455 CA ARG A 29 3.658 12.914 -6.933 1.00 0.00 C ATOM 456 C ARG A 29 4.325 12.097 -5.831 1.00 0.00 C ATOM 457 O ARG A 29 5.350 12.500 -5.282 1.00 0.00 O ATOM 458 CB ARG A 29 2.835 14.051 -6.322 1.00 0.00 C ATOM 459 CG ARG A 29 2.678 15.257 -7.238 1.00 0.00 C ATOM 460 CD ARG A 29 1.911 14.911 -8.505 1.00 0.00 C ATOM 461 NE ARG A 29 1.907 16.019 -9.457 1.00 0.00 N ATOM 462 CZ ARG A 29 0.801 16.593 -9.922 1.00 0.00 C ATOM 463 NH1 ARG A 29 -0.392 16.177 -9.517 1.00 0.00 N ATOM 464 NH2 ARG A 29 0.889 17.590 -10.791 1.00 0.00 N ATOM 0 H ARG A 29 1.828 12.297 -7.759 1.00 0.00 H new ATOM 0 HA ARG A 29 4.440 13.344 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.846 13.673 -6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.308 14.371 -5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.158 16.053 -6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.663 15.642 -7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.357 14.033 -8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.885 14.649 -8.248 1.00 0.00 H new ATOM 0 HE ARG A 29 2.806 16.373 -9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.465 15.413 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.236 16.621 -9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.804 17.916 -11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.042 18.031 -11.149 1.00 0.00 H new ATOM 478 N ALA A 30 3.737 10.952 -5.512 1.00 0.00 N ATOM 479 CA ALA A 30 4.276 10.080 -4.475 1.00 0.00 C ATOM 480 C ALA A 30 5.520 9.350 -4.959 1.00 0.00 C ATOM 481 O ALA A 30 6.596 9.484 -4.377 1.00 0.00 O ATOM 482 CB ALA A 30 3.229 9.076 -4.040 1.00 0.00 C ATOM 0 H ALA A 30 2.887 10.605 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 30 4.555 10.704 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.643 8.431 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.360 9.604 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.929 8.470 -4.895 1.00 0.00 H new ATOM 488 N SER A 31 5.354 8.563 -6.015 1.00 0.00 N ATOM 489 CA SER A 31 6.457 7.804 -6.591 1.00 0.00 C ATOM 490 C SER A 31 7.648 8.711 -6.863 1.00 0.00 C ATOM 491 O SER A 31 8.794 8.287 -6.768 1.00 0.00 O ATOM 492 CB SER A 31 6.013 7.124 -7.887 1.00 0.00 C ATOM 493 OG SER A 31 7.075 6.387 -8.466 1.00 0.00 O ATOM 0 H SER A 31 4.462 8.434 -6.492 1.00 0.00 H new ATOM 0 HA SER A 31 6.757 7.040 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.174 6.459 -7.683 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.660 7.876 -8.593 1.00 0.00 H new ATOM 0 HG SER A 31 6.765 5.961 -9.292 1.00 0.00 H new ATOM 499 N SER A 32 7.363 9.964 -7.199 1.00 0.00 N ATOM 500 CA SER A 32 8.410 10.936 -7.489 1.00 0.00 C ATOM 501 C SER A 32 9.276 11.205 -6.260 1.00 0.00 C ATOM 502 O SER A 32 10.457 11.522 -6.386 1.00 0.00 O ATOM 503 CB SER A 32 7.790 12.240 -7.984 1.00 0.00 C ATOM 504 OG SER A 32 8.790 13.192 -8.306 1.00 0.00 O ATOM 0 H SER A 32 6.414 10.331 -7.277 1.00 0.00 H new ATOM 0 HA SER A 32 9.049 10.519 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.175 12.043 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.130 12.646 -7.217 1.00 0.00 H new ATOM 0 HG SER A 32 8.366 14.017 -8.622 1.00 0.00 H new ATOM 510 N LYS A 33 8.675 11.105 -5.078 1.00 0.00 N ATOM 511 CA LYS A 33 9.395 11.335 -3.828 1.00 0.00 C ATOM 512 C LYS A 33 10.101 10.072 -3.338 1.00 0.00 C ATOM 513 O LYS A 33 11.256 10.119 -2.917 1.00 0.00 O ATOM 514 CB LYS A 33 8.440 11.849 -2.746 1.00 0.00 C ATOM 515 CG LYS A 33 9.110 12.080 -1.401 1.00 0.00 C ATOM 516 CD LYS A 33 8.139 12.652 -0.377 1.00 0.00 C ATOM 517 CE LYS A 33 8.063 11.778 0.866 1.00 0.00 C ATOM 518 NZ LYS A 33 7.625 12.552 2.062 1.00 0.00 N ATOM 0 H LYS A 33 7.691 10.866 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 33 10.156 12.090 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.991 12.783 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.628 11.132 -2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.516 11.139 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.951 12.763 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.453 13.658 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.148 12.740 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.368 10.956 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.040 11.334 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.763 11.977 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.187 13.424 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.619 12.796 1.968 1.00 0.00 H new ATOM 532 N ASN A 34 9.400 8.949 -3.401 1.00 0.00 N ATOM 533 CA ASN A 34 9.942 7.670 -2.935 1.00 0.00 C ATOM 534 C ASN A 34 11.067 7.160 -3.830 1.00 0.00 C ATOM 535 O ASN A 34 12.041 6.589 -3.342 1.00 0.00 O ATOM 536 CB ASN A 34 8.838 6.610 -2.864 1.00 0.00 C ATOM 537 CG ASN A 34 7.842 6.857 -1.750 1.00 0.00 C ATOM 538 OD1 ASN A 34 8.072 7.676 -0.861 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.732 6.127 -1.789 1.00 0.00 N ATOM 0 H ASN A 34 8.451 8.892 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 34 10.351 7.848 -1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.308 6.583 -3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.293 5.630 -2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.026 6.233 -1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.586 5.460 -2.547 1.00 0.00 H new ATOM 546 N LEU A 35 10.932 7.364 -5.133 1.00 0.00 N ATOM 547 CA LEU A 35 11.934 6.895 -6.085 1.00 0.00 C ATOM 548 C LEU A 35 13.342 7.341 -5.691 1.00 0.00 C ATOM 549 O LEU A 35 14.214 6.506 -5.447 1.00 0.00 O ATOM 550 CB LEU A 35 11.609 7.393 -7.490 1.00 0.00 C ATOM 551 CG LEU A 35 11.536 6.309 -8.562 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.109 5.805 -8.710 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.067 6.837 -9.885 1.00 0.00 C ATOM 0 H LEU A 35 10.141 7.850 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 35 11.909 5.805 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.654 7.918 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.364 8.122 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 35 12.161 5.470 -8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.074 5.033 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.770 5.389 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.459 6.632 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.009 6.053 -10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.469 7.691 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.105 7.146 -9.763 1.00 0.00 H new ATOM 565 N PRO A 36 13.587 8.664 -5.618 1.00 0.00 N ATOM 566 CA PRO A 36 14.899 9.198 -5.258 1.00 0.00 C ATOM 567 C PRO A 36 15.258 8.881 -3.815 1.00 0.00 C ATOM 568 O PRO A 36 16.432 8.788 -3.453 1.00 0.00 O ATOM 569 CB PRO A 36 14.741 10.702 -5.452 1.00 0.00 C ATOM 570 CG PRO A 36 13.284 10.950 -5.293 1.00 0.00 C ATOM 571 CD PRO A 36 12.611 9.736 -5.861 1.00 0.00 C ATOM 0 HA PRO A 36 15.699 8.767 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.321 11.260 -4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.091 11.014 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.021 11.091 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.979 11.853 -5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.661 9.535 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.399 9.854 -6.924 1.00 0.00 H new ATOM 579 N LEU A 37 14.226 8.712 -3.000 1.00 0.00 N ATOM 580 CA LEU A 37 14.389 8.405 -1.586 1.00 0.00 C ATOM 581 C LEU A 37 14.868 6.976 -1.388 1.00 0.00 C ATOM 582 O LEU A 37 15.440 6.635 -0.353 1.00 0.00 O ATOM 583 CB LEU A 37 13.058 8.623 -0.870 1.00 0.00 C ATOM 584 CG LEU A 37 12.940 9.938 -0.118 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.309 11.113 -1.017 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.533 10.104 0.433 1.00 0.00 C ATOM 0 H LEU A 37 13.254 8.784 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 37 15.145 9.068 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.255 8.569 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.903 7.805 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 37 13.641 9.921 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.217 12.043 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.336 10.998 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.638 11.139 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.462 11.050 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.817 10.098 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.310 9.283 1.114 1.00 0.00 H new ATOM 598 N GLY A 38 14.629 6.150 -2.394 1.00 0.00 N ATOM 599 CA GLY A 38 15.029 4.758 -2.329 1.00 0.00 C ATOM 600 C GLY A 38 13.892 3.874 -1.867 1.00 0.00 C ATOM 601 O GLY A 38 14.056 2.665 -1.697 1.00 0.00 O ATOM 0 H GLY A 38 14.162 6.420 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.370 4.430 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.873 4.653 -1.647 1.00 0.00 H new ATOM 605 N ILE A 39 12.736 4.492 -1.663 1.00 0.00 N ATOM 606 CA ILE A 39 11.546 3.781 -1.220 1.00 0.00 C ATOM 607 C ILE A 39 10.803 3.175 -2.404 1.00 0.00 C ATOM 608 O ILE A 39 10.917 3.649 -3.533 1.00 0.00 O ATOM 609 CB ILE A 39 10.592 4.726 -0.468 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.336 5.466 0.639 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.406 3.956 0.096 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.676 6.769 1.026 1.00 0.00 C ATOM 0 H ILE A 39 12.598 5.493 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 39 11.873 2.985 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 39 10.210 5.463 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.402 4.824 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.357 5.665 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.744 4.643 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.860 3.480 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.763 3.193 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.252 7.248 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.634 7.428 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.664 6.573 1.382 1.00 0.00 H new ATOM 624 N THR A 40 10.042 2.125 -2.132 1.00 0.00 N ATOM 625 CA THR A 40 9.265 1.451 -3.161 1.00 0.00 C ATOM 626 C THR A 40 7.965 0.924 -2.586 1.00 0.00 C ATOM 627 O THR A 40 7.845 0.750 -1.378 1.00 0.00 O ATOM 628 CB THR A 40 10.042 0.282 -3.783 1.00 0.00 C ATOM 629 OG1 THR A 40 10.960 -0.262 -2.829 1.00 0.00 O ATOM 630 CG2 THR A 40 10.788 0.734 -5.025 1.00 0.00 C ATOM 0 H THR A 40 9.946 1.720 -1.201 1.00 0.00 H new ATOM 0 HA THR A 40 9.057 2.187 -3.938 1.00 0.00 H new ATOM 0 HB THR A 40 9.329 -0.491 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.645 -0.065 -1.922 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.332 -0.110 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.077 1.114 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.492 1.523 -4.760 1.00 0.00 H new ATOM 638 N GLY A 41 6.984 0.682 -3.445 1.00 0.00 N ATOM 639 CA GLY A 41 5.725 0.172 -2.959 1.00 0.00 C ATOM 640 C GLY A 41 4.578 0.342 -3.925 1.00 0.00 C ATOM 641 O GLY A 41 4.772 0.573 -5.118 1.00 0.00 O ATOM 0 H GLY A 41 7.038 0.828 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.839 -0.887 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.477 0.676 -2.025 1.00 0.00 H new ATOM 645 N ILE A 42 3.375 0.222 -3.384 1.00 0.00 N ATOM 646 CA ILE A 42 2.151 0.337 -4.161 1.00 0.00 C ATOM 647 C ILE A 42 1.015 0.837 -3.279 1.00 0.00 C ATOM 648 O ILE A 42 1.030 0.645 -2.065 1.00 0.00 O ATOM 649 CB ILE A 42 1.761 -1.023 -4.782 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.305 -1.026 -5.252 1.00 0.00 C ATOM 651 CG2 ILE A 42 1.970 -2.120 -3.767 1.00 0.00 C ATOM 652 CD1 ILE A 42 0.032 -1.979 -6.391 1.00 0.00 C ATOM 0 H ILE A 42 3.220 0.042 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 42 2.328 1.050 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 42 2.396 -1.194 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.338 -1.287 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.031 -0.017 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.695 -3.079 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.018 -2.145 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.348 -1.929 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.021 -1.924 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.647 -1.707 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.273 -2.996 -6.080 1.00 0.00 H new ATOM 664 N LEU A 43 0.042 1.483 -3.894 1.00 0.00 N ATOM 665 CA LEU A 43 -1.105 1.997 -3.172 1.00 0.00 C ATOM 666 C LEU A 43 -2.382 1.326 -3.662 1.00 0.00 C ATOM 667 O LEU A 43 -2.405 0.738 -4.743 1.00 0.00 O ATOM 668 CB LEU A 43 -1.213 3.505 -3.345 1.00 0.00 C ATOM 669 CG LEU A 43 -0.981 4.313 -2.078 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.152 5.785 -2.369 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.927 3.867 -0.972 1.00 0.00 C ATOM 0 H LEU A 43 0.024 1.665 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.971 1.775 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.492 3.822 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.204 3.742 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 43 0.039 4.140 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.984 6.358 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.432 6.092 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.163 5.969 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.743 4.459 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.958 4.010 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.758 2.813 -0.752 1.00 0.00 H new ATOM 683 N LEU A 44 -3.434 1.408 -2.862 1.00 0.00 N ATOM 684 CA LEU A 44 -4.710 0.804 -3.213 1.00 0.00 C ATOM 685 C LEU A 44 -5.876 1.670 -2.771 1.00 0.00 C ATOM 686 O LEU A 44 -5.760 2.456 -1.835 1.00 0.00 O ATOM 687 CB LEU A 44 -4.839 -0.577 -2.576 1.00 0.00 C ATOM 688 CG LEU A 44 -4.192 -1.709 -3.360 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.739 -1.888 -2.959 1.00 0.00 C ATOM 690 CD2 LEU A 44 -4.967 -2.996 -3.158 1.00 0.00 C ATOM 0 H LEU A 44 -3.429 1.889 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.738 0.712 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.396 -0.544 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.897 -0.803 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.216 -1.450 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.301 -2.703 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.191 -0.967 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.681 -2.122 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.494 -3.798 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.974 -3.254 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.991 -2.862 -3.505 1.00 0.00 H new ATOM 702 N PHE A 45 -6.993 1.524 -3.464 1.00 0.00 N ATOM 703 CA PHE A 45 -8.200 2.266 -3.141 1.00 0.00 C ATOM 704 C PHE A 45 -9.422 1.440 -3.523 1.00 0.00 C ATOM 705 O PHE A 45 -9.490 0.902 -4.626 1.00 0.00 O ATOM 706 CB PHE A 45 -8.208 3.619 -3.855 1.00 0.00 C ATOM 707 CG PHE A 45 -9.252 4.572 -3.342 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.235 4.996 -2.021 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.246 5.048 -4.181 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.190 5.876 -1.548 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.205 5.927 -3.713 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.177 6.342 -2.395 1.00 0.00 C ATOM 0 H PHE A 45 -7.089 0.893 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.227 2.458 -2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.226 4.080 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.371 3.456 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.466 4.634 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.272 4.729 -5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.165 6.199 -0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.976 6.289 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 45 -11.925 7.029 -2.028 1.00 0.00 H new ATOM 722 N ASN A 46 -10.387 1.343 -2.620 1.00 0.00 N ATOM 723 CA ASN A 46 -11.585 0.559 -2.879 1.00 0.00 C ATOM 724 C ASN A 46 -12.816 1.445 -2.803 1.00 0.00 C ATOM 725 O ASN A 46 -13.949 0.970 -2.889 1.00 0.00 O ATOM 726 CB ASN A 46 -11.698 -0.588 -1.873 1.00 0.00 C ATOM 727 CG ASN A 46 -12.218 -0.128 -0.524 1.00 0.00 C ATOM 728 OD1 ASN A 46 -11.308 0.256 0.365 1.00 0.00 O flip ATOM 729 ND2 ASN A 46 -13.425 -0.120 -0.282 1.00 0.00 N flip ATOM 0 H ASN A 46 -10.364 1.795 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.516 0.137 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.362 -1.354 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.720 -1.051 -1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.090 -0.423 -0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.760 0.190 0.630 1.00 0.00 H new ATOM 736 N GLY A 47 -12.579 2.743 -2.642 1.00 0.00 N ATOM 737 CA GLY A 47 -13.670 3.684 -2.545 1.00 0.00 C ATOM 738 C GLY A 47 -13.891 4.154 -1.130 1.00 0.00 C ATOM 739 O GLY A 47 -14.796 4.944 -0.862 1.00 0.00 O ATOM 0 H GLY A 47 -11.649 3.156 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.465 4.543 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.583 3.220 -2.919 1.00 0.00 H new ATOM 743 N LEU A 48 -13.059 3.665 -0.220 1.00 0.00 N ATOM 744 CA LEU A 48 -13.168 4.036 1.178 1.00 0.00 C ATOM 745 C LEU A 48 -11.817 3.963 1.876 1.00 0.00 C ATOM 746 O LEU A 48 -11.490 4.823 2.689 1.00 0.00 O ATOM 747 CB LEU A 48 -14.171 3.119 1.885 1.00 0.00 C ATOM 748 CG LEU A 48 -14.718 3.627 3.229 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.655 3.549 4.319 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.240 5.052 3.095 1.00 0.00 C ATOM 0 H LEU A 48 -12.304 3.012 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.520 5.067 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.013 2.949 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.695 2.153 2.051 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.547 2.981 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.070 3.915 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.335 2.514 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.799 4.162 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.622 5.391 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.430 5.707 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.042 5.078 2.357 1.00 0.00 H new ATOM 762 N GLN A 49 -11.027 2.946 1.548 1.00 0.00 N ATOM 763 CA GLN A 49 -9.729 2.767 2.196 1.00 0.00 C ATOM 764 C GLN A 49 -8.547 2.823 1.235 1.00 0.00 C ATOM 765 O GLN A 49 -8.644 2.430 0.073 1.00 0.00 O ATOM 766 CB GLN A 49 -9.699 1.430 2.933 1.00 0.00 C ATOM 767 CG GLN A 49 -10.692 1.334 4.076 1.00 0.00 C ATOM 768 CD GLN A 49 -10.790 -0.066 4.652 1.00 0.00 C ATOM 769 OE1 GLN A 49 -9.684 -0.802 4.620 1.00 0.00 O flip ATOM 770 NE2 GLN A 49 -11.848 -0.480 5.126 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.256 2.241 0.847 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.620 3.604 2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.901 0.630 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.695 1.264 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.400 2.027 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.675 1.647 3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.674 0.119 5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.899 -1.422 5.514 1.00 0.00 H new ATOM 779 N PHE A 50 -7.429 3.330 1.755 1.00 0.00 N ATOM 780 CA PHE A 50 -6.178 3.412 1.001 1.00 0.00 C ATOM 781 C PHE A 50 -5.149 2.444 1.577 1.00 0.00 C ATOM 782 O PHE A 50 -4.561 2.713 2.625 1.00 0.00 O ATOM 783 CB PHE A 50 -5.582 4.817 1.060 1.00 0.00 C ATOM 784 CG PHE A 50 -6.031 5.757 -0.020 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.624 5.582 -1.334 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.842 6.835 0.284 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.020 6.459 -2.312 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.238 7.718 -0.693 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.826 7.528 -1.992 1.00 0.00 C ATOM 0 H PHE A 50 -7.365 3.694 2.706 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.411 3.157 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.829 5.257 2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.496 4.734 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.989 4.747 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.169 6.985 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.699 6.311 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.870 8.557 -0.442 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.136 8.219 -2.762 1.00 0.00 H new ATOM 799 N PHE A 51 -4.922 1.331 0.898 1.00 0.00 N ATOM 800 CA PHE A 51 -3.941 0.353 1.362 1.00 0.00 C ATOM 801 C PHE A 51 -2.591 0.684 0.752 1.00 0.00 C ATOM 802 O PHE A 51 -2.481 0.830 -0.457 1.00 0.00 O ATOM 803 CB PHE A 51 -4.379 -1.056 0.977 1.00 0.00 C ATOM 804 CG PHE A 51 -3.406 -2.126 1.369 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.357 -2.600 2.667 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.543 -2.661 0.432 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.462 -3.590 3.021 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.648 -3.651 0.781 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.606 -4.116 2.076 1.00 0.00 C ATOM 0 H PHE A 51 -5.397 1.080 0.031 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.863 0.394 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.342 -1.266 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.532 -1.096 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.025 -2.192 3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.569 -2.300 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.432 -3.953 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.980 -4.061 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.905 -4.890 2.351 1.00 0.00 H new ATOM 819 N GLN A 52 -1.552 0.786 1.570 1.00 0.00 N ATOM 820 CA GLN A 52 -0.259 1.171 1.045 1.00 0.00 C ATOM 821 C GLN A 52 0.867 0.245 1.462 1.00 0.00 C ATOM 822 O GLN A 52 1.214 0.149 2.639 1.00 0.00 O ATOM 823 CB GLN A 52 0.053 2.589 1.496 1.00 0.00 C ATOM 824 CG GLN A 52 0.942 3.359 0.540 1.00 0.00 C ATOM 825 CD GLN A 52 0.673 4.849 0.598 1.00 0.00 C ATOM 826 OE1 GLN A 52 -0.035 5.330 1.482 1.00 0.00 O ATOM 827 NE2 GLN A 52 1.253 5.592 -0.327 1.00 0.00 N ATOM 0 H GLN A 52 -1.580 0.611 2.575 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.323 1.106 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.883 3.133 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.535 2.551 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.987 3.169 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.780 3.000 -0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.833 5.154 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.121 6.603 -0.325 1.00 0.00 H new ATOM 836 N VAL A 53 1.434 -0.431 0.476 1.00 0.00 N ATOM 837 CA VAL A 53 2.568 -1.308 0.711 1.00 0.00 C ATOM 838 C VAL A 53 3.841 -0.511 0.531 1.00 0.00 C ATOM 839 O VAL A 53 4.192 -0.138 -0.583 1.00 0.00 O ATOM 840 CB VAL A 53 2.604 -2.515 -0.249 1.00 0.00 C ATOM 841 CG1 VAL A 53 3.992 -3.147 -0.278 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.566 -3.539 0.150 1.00 0.00 C ATOM 0 H VAL A 53 1.127 -0.389 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 53 2.473 -1.699 1.724 1.00 0.00 H new ATOM 0 HB VAL A 53 2.373 -2.157 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.991 -3.996 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.721 -2.410 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.258 -3.488 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.605 -4.384 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.768 -3.886 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.575 -3.086 0.113 1.00 0.00 H new ATOM 852 N LEU A 54 4.520 -0.237 1.625 1.00 0.00 N ATOM 853 CA LEU A 54 5.751 0.528 1.565 1.00 0.00 C ATOM 854 C LEU A 54 6.936 -0.364 1.888 1.00 0.00 C ATOM 855 O LEU A 54 6.878 -1.179 2.808 1.00 0.00 O ATOM 856 CB LEU A 54 5.697 1.700 2.536 1.00 0.00 C ATOM 857 CG LEU A 54 6.347 2.984 2.037 1.00 0.00 C ATOM 858 CD1 LEU A 54 5.513 3.609 0.926 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.532 3.949 3.193 1.00 0.00 C ATOM 0 H LEU A 54 4.244 -0.530 2.562 1.00 0.00 H new ATOM 0 HA LEU A 54 5.868 0.919 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.653 1.908 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.182 1.404 3.466 1.00 0.00 H new ATOM 0 HG LEU A 54 7.328 2.750 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.993 4.525 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.431 2.909 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.518 3.841 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.997 4.866 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.561 4.183 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.170 3.493 3.949 1.00 0.00 H new ATOM 871 N GLU A 55 8.009 -0.206 1.132 1.00 0.00 N ATOM 872 CA GLU A 55 9.198 -1.016 1.344 1.00 0.00 C ATOM 873 C GLU A 55 10.472 -0.245 1.015 1.00 0.00 C ATOM 874 O GLU A 55 10.721 0.132 -0.129 1.00 0.00 O ATOM 875 CB GLU A 55 9.119 -2.304 0.522 1.00 0.00 C ATOM 876 CG GLU A 55 8.510 -2.116 -0.857 1.00 0.00 C ATOM 877 CD GLU A 55 8.514 -3.392 -1.673 1.00 0.00 C ATOM 878 OE1 GLU A 55 7.663 -4.268 -1.408 1.00 0.00 O ATOM 879 OE2 GLU A 55 9.368 -3.518 -2.574 1.00 0.00 O ATOM 0 H GLU A 55 8.082 0.470 0.372 1.00 0.00 H new ATOM 0 HA GLU A 55 9.238 -1.276 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.122 -2.716 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.531 -3.039 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.485 -1.759 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.063 -1.345 -1.393 1.00 0.00 H new ATOM 886 N GLY A 56 11.267 -0.024 2.053 1.00 0.00 N ATOM 887 CA GLY A 56 12.524 0.682 1.932 1.00 0.00 C ATOM 888 C GLY A 56 13.197 0.801 3.283 1.00 0.00 C ATOM 889 O GLY A 56 12.769 0.155 4.240 1.00 0.00 O ATOM 0 H GLY A 56 11.053 -0.332 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.179 0.155 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.352 1.675 1.516 1.00 0.00 H new ATOM 893 N THR A 57 14.246 1.609 3.375 1.00 0.00 N ATOM 894 CA THR A 57 14.940 1.790 4.644 1.00 0.00 C ATOM 895 C THR A 57 13.954 2.152 5.749 1.00 0.00 C ATOM 896 O THR A 57 13.087 3.006 5.569 1.00 0.00 O ATOM 897 CB THR A 57 16.028 2.872 4.554 1.00 0.00 C ATOM 898 OG1 THR A 57 15.611 3.922 3.674 1.00 0.00 O ATOM 899 CG2 THR A 57 17.332 2.268 4.061 1.00 0.00 C ATOM 0 H THR A 57 14.631 2.144 2.596 1.00 0.00 H new ATOM 0 HA THR A 57 15.422 0.841 4.881 1.00 0.00 H new ATOM 0 HB THR A 57 16.187 3.288 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.311 4.606 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.094 3.045 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.658 1.492 4.753 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.181 1.833 3.073 1.00 0.00 H new ATOM 907 N GLU A 58 14.098 1.481 6.889 1.00 0.00 N ATOM 908 CA GLU A 58 13.220 1.695 8.036 1.00 0.00 C ATOM 909 C GLU A 58 13.094 3.175 8.386 1.00 0.00 C ATOM 910 O GLU A 58 12.048 3.621 8.856 1.00 0.00 O ATOM 911 CB GLU A 58 13.740 0.923 9.249 1.00 0.00 C ATOM 912 CG GLU A 58 12.686 0.703 10.319 1.00 0.00 C ATOM 913 CD GLU A 58 13.283 0.312 11.656 1.00 0.00 C ATOM 914 OE1 GLU A 58 13.659 1.220 12.426 1.00 0.00 O ATOM 915 OE2 GLU A 58 13.376 -0.902 11.932 1.00 0.00 O ATOM 0 H GLU A 58 14.821 0.778 7.043 1.00 0.00 H new ATOM 0 HA GLU A 58 12.231 1.328 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.120 -0.044 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.580 1.465 9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.101 1.615 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.998 -0.076 9.991 1.00 0.00 H new ATOM 922 N GLU A 59 14.165 3.932 8.164 1.00 0.00 N ATOM 923 CA GLU A 59 14.162 5.361 8.458 1.00 0.00 C ATOM 924 C GLU A 59 13.241 6.113 7.513 1.00 0.00 C ATOM 925 O GLU A 59 12.621 7.110 7.886 1.00 0.00 O ATOM 926 CB GLU A 59 15.566 5.928 8.369 1.00 0.00 C ATOM 927 CG GLU A 59 16.260 5.654 7.044 1.00 0.00 C ATOM 928 CD GLU A 59 17.555 6.428 6.898 1.00 0.00 C ATOM 929 OE1 GLU A 59 18.531 6.093 7.601 1.00 0.00 O ATOM 930 OE2 GLU A 59 17.592 7.373 6.082 1.00 0.00 O ATOM 0 H GLU A 59 15.043 3.581 7.783 1.00 0.00 H new ATOM 0 HA GLU A 59 13.792 5.488 9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.523 7.005 8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.168 5.510 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.466 4.587 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.590 5.915 6.225 1.00 0.00 H new ATOM 937 N ALA A 60 13.163 5.623 6.291 1.00 0.00 N ATOM 938 CA ALA A 60 12.326 6.232 5.265 1.00 0.00 C ATOM 939 C ALA A 60 10.863 5.853 5.455 1.00 0.00 C ATOM 940 O ALA A 60 9.971 6.674 5.247 1.00 0.00 O ATOM 941 CB ALA A 60 12.806 5.821 3.882 1.00 0.00 C ATOM 0 H ALA A 60 13.673 4.797 5.979 1.00 0.00 H new ATOM 0 HA ALA A 60 12.407 7.315 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.172 6.283 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.836 6.149 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.754 4.736 3.786 1.00 0.00 H new ATOM 947 N LEU A 61 10.621 4.606 5.846 1.00 0.00 N ATOM 948 CA LEU A 61 9.261 4.128 6.064 1.00 0.00 C ATOM 949 C LEU A 61 8.587 4.908 7.180 1.00 0.00 C ATOM 950 O LEU A 61 7.437 5.312 7.052 1.00 0.00 O ATOM 951 CB LEU A 61 9.260 2.638 6.394 1.00 0.00 C ATOM 952 CG LEU A 61 10.082 1.764 5.444 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.816 0.294 5.709 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.774 2.104 3.992 1.00 0.00 C ATOM 0 H LEU A 61 11.347 3.910 6.018 1.00 0.00 H new ATOM 0 HA LEU A 61 8.699 4.283 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.641 2.505 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.230 2.282 6.392 1.00 0.00 H new ATOM 0 HG LEU A 61 11.138 1.965 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.409 -0.312 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.090 0.054 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.758 0.083 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.370 1.470 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.715 1.936 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.016 3.150 3.804 1.00 0.00 H new ATOM 966 N GLU A 62 9.306 5.113 8.275 1.00 0.00 N ATOM 967 CA GLU A 62 8.772 5.849 9.412 1.00 0.00 C ATOM 968 C GLU A 62 8.343 7.252 8.994 1.00 0.00 C ATOM 969 O GLU A 62 7.188 7.639 9.162 1.00 0.00 O ATOM 970 CB GLU A 62 9.828 5.943 10.509 1.00 0.00 C ATOM 971 CG GLU A 62 9.272 6.377 11.854 1.00 0.00 C ATOM 972 CD GLU A 62 10.327 6.396 12.942 1.00 0.00 C ATOM 973 OE1 GLU A 62 10.528 5.348 13.590 1.00 0.00 O ATOM 974 OE2 GLU A 62 10.954 7.458 13.145 1.00 0.00 O ATOM 0 H GLU A 62 10.262 4.779 8.400 1.00 0.00 H new ATOM 0 HA GLU A 62 7.900 5.315 9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.310 4.972 10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.599 6.648 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.836 7.371 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.467 5.702 12.145 1.00 0.00 H new ATOM 981 N SER A 63 9.295 8.002 8.455 1.00 0.00 N ATOM 982 CA SER A 63 9.054 9.371 8.003 1.00 0.00 C ATOM 983 C SER A 63 7.896 9.444 7.008 1.00 0.00 C ATOM 984 O SER A 63 6.967 10.232 7.175 1.00 0.00 O ATOM 985 CB SER A 63 10.312 9.925 7.343 1.00 0.00 C ATOM 986 OG SER A 63 10.322 11.342 7.365 1.00 0.00 O ATOM 0 H SER A 63 10.254 7.682 8.318 1.00 0.00 H new ATOM 0 HA SER A 63 8.791 9.965 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.194 9.545 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.369 9.574 6.313 1.00 0.00 H new ATOM 0 HG SER A 63 11.140 11.670 6.937 1.00 0.00 H new ATOM 992 N LEU A 64 7.971 8.610 5.977 1.00 0.00 N ATOM 993 CA LEU A 64 6.955 8.563 4.932 1.00 0.00 C ATOM 994 C LEU A 64 5.603 8.282 5.552 1.00 0.00 C ATOM 995 O LEU A 64 4.676 9.078 5.458 1.00 0.00 O ATOM 996 CB LEU A 64 7.329 7.457 3.943 1.00 0.00 C ATOM 997 CG LEU A 64 6.650 7.489 2.573 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.177 7.211 2.712 1.00 0.00 C ATOM 999 CD2 LEU A 64 6.857 8.820 1.882 1.00 0.00 C ATOM 0 H LEU A 64 8.736 7.949 5.842 1.00 0.00 H new ATOM 0 HA LEU A 64 6.903 9.518 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.407 7.493 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.106 6.497 4.409 1.00 0.00 H new ATOM 0 HG LEU A 64 7.108 6.713 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.707 7.237 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.033 6.226 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.723 7.968 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.361 8.807 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.436 9.617 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.924 8.995 1.742 1.00 0.00 H new ATOM 1011 N PHE A 65 5.518 7.129 6.176 1.00 0.00 N ATOM 1012 CA PHE A 65 4.317 6.684 6.850 1.00 0.00 C ATOM 1013 C PHE A 65 3.778 7.769 7.778 1.00 0.00 C ATOM 1014 O PHE A 65 2.567 7.905 7.958 1.00 0.00 O ATOM 1015 CB PHE A 65 4.680 5.424 7.627 1.00 0.00 C ATOM 1016 CG PHE A 65 3.596 4.850 8.484 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.285 4.809 8.048 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.902 4.336 9.730 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.299 4.264 8.842 1.00 0.00 C ATOM 1020 CE2 PHE A 65 2.921 3.790 10.528 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.616 3.752 10.083 1.00 0.00 C ATOM 0 H PHE A 65 6.290 6.465 6.231 1.00 0.00 H new ATOM 0 HA PHE A 65 3.527 6.472 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.997 4.661 6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.539 5.646 8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.031 5.207 7.077 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.923 4.363 10.082 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.278 4.238 8.492 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.173 3.393 11.500 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.844 3.322 10.705 1.00 0.00 H new ATOM 1031 N SER A 66 4.687 8.536 8.369 1.00 0.00 N ATOM 1032 CA SER A 66 4.294 9.621 9.258 1.00 0.00 C ATOM 1033 C SER A 66 3.682 10.758 8.454 1.00 0.00 C ATOM 1034 O SER A 66 2.815 11.482 8.945 1.00 0.00 O ATOM 1035 CB SER A 66 5.494 10.127 10.062 1.00 0.00 C ATOM 1036 OG SER A 66 5.957 9.140 10.966 1.00 0.00 O ATOM 0 H SER A 66 5.694 8.427 8.250 1.00 0.00 H new ATOM 0 HA SER A 66 3.550 9.241 9.958 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.299 10.407 9.382 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.214 11.025 10.612 1.00 0.00 H new ATOM 0 HG SER A 66 6.319 8.380 10.464 1.00 0.00 H new ATOM 1042 N GLU A 67 4.137 10.911 7.213 1.00 0.00 N ATOM 1043 CA GLU A 67 3.616 11.941 6.335 1.00 0.00 C ATOM 1044 C GLU A 67 2.202 11.575 5.926 1.00 0.00 C ATOM 1045 O GLU A 67 1.364 12.433 5.648 1.00 0.00 O ATOM 1046 CB GLU A 67 4.503 12.046 5.102 1.00 0.00 C ATOM 1047 CG GLU A 67 5.921 12.484 5.413 1.00 0.00 C ATOM 1048 CD GLU A 67 6.122 13.978 5.249 1.00 0.00 C ATOM 1049 OE1 GLU A 67 6.316 14.429 4.101 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.085 14.696 6.271 1.00 0.00 O ATOM 0 H GLU A 67 4.866 10.331 6.798 1.00 0.00 H new ATOM 0 HA GLU A 67 3.606 12.901 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.532 11.078 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.058 12.754 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.169 12.198 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.612 11.955 4.757 1.00 0.00 H new ATOM 1057 N ILE A 68 1.967 10.275 5.901 1.00 0.00 N ATOM 1058 CA ILE A 68 0.689 9.704 5.537 1.00 0.00 C ATOM 1059 C ILE A 68 -0.390 10.038 6.556 1.00 0.00 C ATOM 1060 O ILE A 68 -1.456 10.537 6.201 1.00 0.00 O ATOM 1061 CB ILE A 68 0.856 8.182 5.388 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.345 7.861 3.980 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.422 7.408 5.709 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.388 8.820 3.461 1.00 0.00 C ATOM 0 H ILE A 68 2.673 9.578 6.138 1.00 0.00 H new ATOM 0 HA ILE A 68 0.364 10.135 4.590 1.00 0.00 H new ATOM 0 HB ILE A 68 1.597 7.859 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.757 6.852 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.493 7.864 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.241 6.340 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.721 7.609 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.217 7.722 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.685 8.525 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.975 9.828 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.259 8.800 4.117 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.116 9.774 7.825 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.094 10.047 8.864 1.00 0.00 C ATOM 1078 C GLN A 69 -1.250 11.547 9.083 1.00 0.00 C ATOM 1079 O GLN A 69 -2.161 11.992 9.781 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.699 9.358 10.162 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.183 7.942 9.967 1.00 0.00 C ATOM 1082 CD GLN A 69 0.088 7.238 11.279 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.573 7.496 12.286 1.00 0.00 O ATOM 1084 NE2 GLN A 69 1.068 6.347 11.275 1.00 0.00 N ATOM 0 H GLN A 69 0.763 9.377 8.156 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.055 9.649 8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.069 9.950 10.659 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.562 9.333 10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.912 7.369 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.734 7.971 9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.589 6.166 10.417 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.302 5.842 12.130 1.00 0.00 H new ATOM 1093 N SER A 70 -0.353 12.323 8.481 1.00 0.00 N ATOM 1094 CA SER A 70 -0.399 13.775 8.600 1.00 0.00 C ATOM 1095 C SER A 70 -1.117 14.385 7.400 1.00 0.00 C ATOM 1096 O SER A 70 -1.218 15.606 7.277 1.00 0.00 O ATOM 1097 CB SER A 70 1.015 14.348 8.714 1.00 0.00 C ATOM 1098 OG SER A 70 1.674 13.855 9.869 1.00 0.00 O ATOM 0 H SER A 70 0.413 11.970 7.907 1.00 0.00 H new ATOM 0 HA SER A 70 -0.952 14.028 9.505 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.589 14.087 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.968 15.436 8.755 1.00 0.00 H new ATOM 0 HG SER A 70 2.103 12.999 9.660 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.613 13.521 6.518 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.325 13.958 5.327 1.00 0.00 C ATOM 1106 C ASP A 71 -3.791 14.250 5.648 1.00 0.00 C ATOM 1107 O ASP A 71 -4.374 13.624 6.533 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.233 12.884 4.247 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.315 13.283 3.107 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -1.757 14.060 2.235 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -0.156 12.819 3.088 1.00 0.00 O ATOM 0 H ASP A 71 -1.532 12.508 6.610 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.863 14.876 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.873 11.956 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.229 12.683 3.853 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.406 15.209 4.930 1.00 0.00 N ATOM 1117 CA PRO A 72 -5.799 15.589 5.148 1.00 0.00 C ATOM 1118 C PRO A 72 -6.791 14.759 4.333 1.00 0.00 C ATOM 1119 O PRO A 72 -7.991 14.782 4.604 1.00 0.00 O ATOM 1120 CB PRO A 72 -5.813 17.039 4.677 1.00 0.00 C ATOM 1121 CG PRO A 72 -4.823 17.077 3.560 1.00 0.00 C ATOM 1122 CD PRO A 72 -3.790 16.015 3.857 1.00 0.00 C ATOM 0 HA PRO A 72 -6.108 15.435 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.805 17.337 4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.532 17.720 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.311 16.885 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.358 18.060 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.575 15.410 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.846 16.455 4.180 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.295 14.029 3.335 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.167 13.214 2.494 1.00 0.00 C ATOM 1132 C ARG A 73 -7.679 11.985 3.241 1.00 0.00 C ATOM 1133 O ARG A 73 -8.743 12.029 3.855 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.459 12.792 1.212 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.327 11.928 0.308 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.902 12.030 -1.146 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.709 13.415 -1.557 1.00 0.00 N ATOM 1138 CZ ARG A 73 -7.390 13.999 -2.536 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -8.324 13.325 -3.192 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -7.141 15.262 -2.856 1.00 0.00 N ATOM 0 H ARG A 73 -5.305 13.986 3.092 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.025 13.832 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.149 13.682 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.553 12.243 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.268 10.889 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.369 12.233 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.976 11.474 -1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.657 11.565 -1.779 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.009 13.969 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.521 12.355 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.846 13.776 -3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.426 15.785 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.664 15.710 -3.608 1.00 0.00 H new ATOM 1154 N HIS A 74 -6.924 10.888 3.195 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.335 9.666 3.873 1.00 0.00 C ATOM 1156 C HIS A 74 -7.366 9.866 5.379 1.00 0.00 C ATOM 1157 O HIS A 74 -7.113 10.964 5.877 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.419 8.492 3.519 1.00 0.00 C ATOM 1159 CG HIS A 74 -4.960 8.757 3.722 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -3.984 7.851 3.369 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.308 9.822 4.247 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -2.799 8.344 3.668 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -2.967 9.538 4.200 1.00 0.00 N ATOM 0 H HIS A 74 -6.034 10.823 2.700 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.341 9.428 3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.706 7.630 4.122 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.584 8.221 2.476 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.759 10.725 4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.851 7.853 3.505 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.220 10.152 4.525 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.673 8.799 6.099 1.00 0.00 N ATOM 1173 CA ARG A 75 -7.756 8.858 7.543 1.00 0.00 C ATOM 1174 C ARG A 75 -7.526 7.484 8.151 1.00 0.00 C ATOM 1175 O ARG A 75 -7.192 6.532 7.457 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.146 9.333 7.939 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.196 8.277 7.652 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.594 8.859 7.568 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.593 7.985 8.177 1.00 0.00 N ATOM 1180 CZ ARG A 75 -13.889 8.274 8.234 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.342 9.413 7.724 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -14.736 7.425 8.799 1.00 0.00 N ATOM 0 H ARG A 75 -7.869 7.880 5.702 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.992 9.544 7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.158 9.581 9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.388 10.246 7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.957 7.776 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.168 7.518 8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.612 9.829 8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.852 9.030 6.523 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.278 7.103 8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.695 10.069 7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.337 9.632 7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.393 6.548 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.730 7.649 8.842 1.00 0.00 H new ATOM 1196 N ASP A 76 -7.739 7.403 9.450 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.606 6.162 10.199 1.00 0.00 C ATOM 1198 C ASP A 76 -6.485 5.257 9.700 1.00 0.00 C ATOM 1199 O ASP A 76 -6.616 4.034 9.725 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.919 5.400 10.153 1.00 0.00 C ATOM 1201 CG ASP A 76 -10.074 6.193 10.731 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -9.976 6.616 11.903 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -11.080 6.385 10.018 1.00 0.00 O ATOM 0 H ASP A 76 -8.012 8.202 10.023 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.348 6.446 11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.145 5.136 9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.812 4.466 10.705 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.402 5.847 9.236 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.261 5.059 8.776 1.00 0.00 C ATOM 1210 C VAL A 77 -3.691 4.268 9.945 1.00 0.00 C ATOM 1211 O VAL A 77 -3.466 4.812 11.026 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.156 5.931 8.135 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.361 7.386 8.470 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.773 5.496 8.578 1.00 0.00 C ATOM 0 H VAL A 77 -5.281 6.857 9.165 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.618 4.382 8.000 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.228 5.798 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.572 7.980 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.330 7.713 8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.330 7.518 9.551 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.023 6.132 8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.694 5.583 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.606 4.460 8.284 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.467 2.982 9.725 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.945 2.113 10.765 1.00 0.00 C ATOM 1226 C VAL A 78 -1.822 1.229 10.235 1.00 0.00 C ATOM 1227 O VAL A 78 -2.005 0.501 9.258 1.00 0.00 O ATOM 1228 CB VAL A 78 -4.053 1.222 11.347 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -3.644 0.683 12.709 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -5.377 1.977 11.433 1.00 0.00 C ATOM 0 H VAL A 78 -3.639 2.517 8.833 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.550 2.757 11.551 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.197 0.377 10.674 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.441 0.054 13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.733 0.093 12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.465 1.515 13.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.143 1.322 11.848 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.257 2.849 12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.677 2.300 10.436 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.659 1.301 10.880 1.00 0.00 N ATOM 1241 CA GLU A 79 0.490 0.495 10.475 1.00 0.00 C ATOM 1242 C GLU A 79 0.111 -0.975 10.444 1.00 0.00 C ATOM 1243 O GLU A 79 -0.100 -1.594 11.486 1.00 0.00 O ATOM 1244 CB GLU A 79 1.648 0.701 11.445 1.00 0.00 C ATOM 1245 CG GLU A 79 2.952 0.076 10.976 1.00 0.00 C ATOM 1246 CD GLU A 79 4.086 0.280 11.964 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.774 1.318 11.871 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.285 -0.600 12.828 1.00 0.00 O ATOM 0 H GLU A 79 -0.488 1.907 11.682 1.00 0.00 H new ATOM 0 HA GLU A 79 0.799 0.809 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.800 1.770 11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.380 0.279 12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.802 -0.992 10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.231 0.506 10.014 1.00 0.00 H new ATOM 1255 N LEU A 80 0.027 -1.529 9.245 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.324 -2.927 9.084 1.00 0.00 C ATOM 1257 C LEU A 80 0.899 -3.810 9.203 1.00 0.00 C ATOM 1258 O LEU A 80 0.830 -4.941 9.684 1.00 0.00 O ATOM 1259 CB LEU A 80 -0.983 -3.165 7.735 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.258 -2.387 7.508 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -2.897 -2.789 6.189 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -3.199 -2.600 8.669 1.00 0.00 C ATOM 0 H LEU A 80 0.197 -1.031 8.371 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.026 -3.182 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.273 -2.909 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.200 -4.228 7.635 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.027 -1.323 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.814 -2.219 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.206 -2.583 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.130 -3.854 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.117 -2.037 8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.434 -3.661 8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.726 -2.256 9.589 1.00 0.00 H new ATOM 1274 N MET A 81 2.020 -3.274 8.760 1.00 0.00 N ATOM 1275 CA MET A 81 3.277 -4.004 8.784 1.00 0.00 C ATOM 1276 C MET A 81 4.491 -3.115 8.843 1.00 0.00 C ATOM 1277 O MET A 81 4.415 -1.891 8.735 1.00 0.00 O ATOM 1278 CB MET A 81 3.420 -4.902 7.583 1.00 0.00 C ATOM 1279 CG MET A 81 4.060 -6.217 7.952 1.00 0.00 C ATOM 1280 SD MET A 81 5.699 -6.461 7.243 1.00 0.00 S ATOM 1281 CE MET A 81 5.425 -5.984 5.546 1.00 0.00 C ATOM 0 H MET A 81 2.088 -2.331 8.377 1.00 0.00 H new ATOM 0 HA MET A 81 3.234 -4.592 9.701 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.439 -5.084 7.144 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.022 -4.403 6.823 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.132 -6.282 9.038 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.410 -7.029 7.626 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.289 -6.266 4.945 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.538 -6.489 5.165 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.280 -4.905 5.490 1.00 0.00 H new ATOM 1291 N ARG A 82 5.611 -3.793 9.012 1.00 0.00 N ATOM 1292 CA ARG A 82 6.919 -3.183 9.085 1.00 0.00 C ATOM 1293 C ARG A 82 7.934 -4.240 9.474 1.00 0.00 C ATOM 1294 O ARG A 82 8.227 -4.455 10.651 1.00 0.00 O ATOM 1295 CB ARG A 82 6.954 -2.034 10.068 1.00 0.00 C ATOM 1296 CG ARG A 82 8.267 -1.282 10.054 1.00 0.00 C ATOM 1297 CD ARG A 82 8.274 -0.169 11.088 1.00 0.00 C ATOM 1298 NE ARG A 82 7.742 1.083 10.567 1.00 0.00 N ATOM 1299 CZ ARG A 82 7.613 2.188 11.299 1.00 0.00 C ATOM 1300 NH1 ARG A 82 7.949 2.178 12.582 1.00 0.00 N ATOM 1301 NH2 ARG A 82 7.149 3.303 10.751 1.00 0.00 N ATOM 0 H ARG A 82 5.633 -4.809 9.104 1.00 0.00 H new ATOM 0 HA ARG A 82 7.162 -2.771 8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.143 -1.342 9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.772 -2.417 11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.087 -1.972 10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.438 -0.862 9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.686 -0.478 11.952 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.294 -0.009 11.437 1.00 0.00 H new ATOM 0 HE ARG A 82 7.453 1.115 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.307 1.323 13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.850 3.025 13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.889 3.317 9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.052 4.147 11.316 1.00 0.00 H new ATOM 1315 N ASP A 83 8.453 -4.891 8.460 1.00 0.00 N ATOM 1316 CA ASP A 83 9.414 -5.978 8.630 1.00 0.00 C ATOM 1317 C ASP A 83 10.708 -5.711 7.878 1.00 0.00 C ATOM 1318 O ASP A 83 10.710 -5.068 6.836 1.00 0.00 O ATOM 1319 CB ASP A 83 8.806 -7.281 8.119 1.00 0.00 C ATOM 1320 CG ASP A 83 9.570 -8.504 8.587 1.00 0.00 C ATOM 1321 OD1 ASP A 83 10.529 -8.906 7.895 1.00 0.00 O ATOM 1322 OD2 ASP A 83 9.209 -9.060 9.645 1.00 0.00 O ATOM 0 H ASP A 83 8.226 -4.688 7.487 1.00 0.00 H new ATOM 0 HA ASP A 83 9.644 -6.052 9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.772 -7.352 8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.785 -7.265 7.029 1.00 0.00 H new ATOM 1327 N TYR A 84 11.807 -6.231 8.403 1.00 0.00 N ATOM 1328 CA TYR A 84 13.104 -6.055 7.769 1.00 0.00 C ATOM 1329 C TYR A 84 13.159 -6.789 6.432 1.00 0.00 C ATOM 1330 O TYR A 84 12.491 -7.807 6.248 1.00 0.00 O ATOM 1331 CB TYR A 84 14.203 -6.556 8.694 1.00 0.00 C ATOM 1332 CG TYR A 84 14.399 -5.652 9.878 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.634 -4.301 9.691 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.336 -6.138 11.174 1.00 0.00 C ATOM 1335 CE1 TYR A 84 14.805 -3.455 10.758 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.507 -5.297 12.257 1.00 0.00 C ATOM 1337 CZ TYR A 84 14.742 -3.954 12.042 1.00 0.00 C ATOM 1338 OH TYR A 84 14.912 -3.109 13.114 1.00 0.00 O ATOM 0 H TYR A 84 11.827 -6.777 9.264 1.00 0.00 H new ATOM 0 HA TYR A 84 13.256 -4.993 7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.955 -7.559 9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.137 -6.633 8.138 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.684 -3.905 8.687 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.151 -7.189 11.340 1.00 0.00 H new ATOM 0 HE1 TYR A 84 14.988 -2.404 10.593 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.457 -5.687 13.263 1.00 0.00 H new ATOM 0 HH TYR A 84 14.446 -2.264 12.942 1.00 0.00 H new ATOM 1348 N SER A 85 13.958 -6.272 5.505 1.00 0.00 N ATOM 1349 CA SER A 85 14.091 -6.878 4.185 1.00 0.00 C ATOM 1350 C SER A 85 15.463 -6.604 3.591 1.00 0.00 C ATOM 1351 O SER A 85 16.267 -5.871 4.165 1.00 0.00 O ATOM 1352 CB SER A 85 13.002 -6.352 3.248 1.00 0.00 C ATOM 1353 OG SER A 85 11.712 -6.712 3.712 1.00 0.00 O ATOM 0 H SER A 85 14.524 -5.434 5.643 1.00 0.00 H new ATOM 0 HA SER A 85 13.977 -7.956 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.075 -5.267 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.156 -6.752 2.246 1.00 0.00 H new ATOM 0 HG SER A 85 11.053 -6.069 3.377 1.00 0.00 H new ATOM 1359 N ALA A 86 15.721 -7.205 2.437 1.00 0.00 N ATOM 1360 CA ALA A 86 17.000 -7.044 1.762 1.00 0.00 C ATOM 1361 C ALA A 86 16.828 -6.836 0.264 1.00 0.00 C ATOM 1362 O ALA A 86 17.807 -6.806 -0.484 1.00 0.00 O ATOM 1363 CB ALA A 86 17.854 -8.266 2.020 1.00 0.00 C ATOM 0 H ALA A 86 15.060 -7.809 1.949 1.00 0.00 H new ATOM 0 HA ALA A 86 17.487 -6.154 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 86 18.814 -8.152 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.017 -8.376 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.347 -9.152 1.637 1.00 0.00 H new ATOM 1369 N TYR A 87 15.585 -6.692 -0.171 1.00 0.00 N ATOM 1370 CA TYR A 87 15.292 -6.506 -1.585 1.00 0.00 C ATOM 1371 C TYR A 87 14.006 -5.711 -1.793 1.00 0.00 C ATOM 1372 O TYR A 87 13.142 -5.662 -0.916 1.00 0.00 O ATOM 1373 CB TYR A 87 15.186 -7.865 -2.278 1.00 0.00 C ATOM 1374 CG TYR A 87 14.491 -8.922 -1.443 1.00 0.00 C ATOM 1375 CD1 TYR A 87 15.142 -9.528 -0.373 1.00 0.00 C ATOM 1376 CD2 TYR A 87 13.190 -9.317 -1.729 1.00 0.00 C ATOM 1377 CE1 TYR A 87 14.514 -10.496 0.387 1.00 0.00 C ATOM 1378 CE2 TYR A 87 12.558 -10.284 -0.971 1.00 0.00 C ATOM 1379 CZ TYR A 87 13.223 -10.870 0.084 1.00 0.00 C ATOM 1380 OH TYR A 87 12.594 -11.834 0.838 1.00 0.00 O ATOM 0 H TYR A 87 14.764 -6.700 0.434 1.00 0.00 H new ATOM 0 HA TYR A 87 16.110 -5.935 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 87 14.646 -7.743 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.188 -8.214 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.154 -9.237 -0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.665 -8.862 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.033 -10.957 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.546 -10.580 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 87 11.688 -11.980 0.493 1.00 0.00 H new ATOM 1390 N ARG A 88 13.890 -5.094 -2.965 1.00 0.00 N ATOM 1391 CA ARG A 88 12.715 -4.298 -3.309 1.00 0.00 C ATOM 1392 C ARG A 88 11.861 -5.012 -4.355 1.00 0.00 C ATOM 1393 O ARG A 88 12.281 -5.185 -5.500 1.00 0.00 O ATOM 1394 CB ARG A 88 13.148 -2.928 -3.839 1.00 0.00 C ATOM 1395 CG ARG A 88 13.477 -1.924 -2.754 1.00 0.00 C ATOM 1396 CD ARG A 88 13.980 -0.615 -3.342 1.00 0.00 C ATOM 1397 NE ARG A 88 15.244 -0.788 -4.054 1.00 0.00 N ATOM 1398 CZ ARG A 88 15.848 0.184 -4.733 1.00 0.00 C ATOM 1399 NH1 ARG A 88 15.309 1.393 -4.794 1.00 0.00 N ATOM 1400 NH2 ARG A 88 16.997 -0.057 -5.352 1.00 0.00 N ATOM 0 H ARG A 88 14.600 -5.130 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 88 12.116 -4.164 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.022 -3.057 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.352 -2.524 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.590 -1.736 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.234 -2.340 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.231 -0.212 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.110 0.115 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 88 15.689 -1.706 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.427 1.583 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.777 2.134 -5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.416 -0.986 -5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.461 0.687 -5.873 1.00 0.00 H new ATOM 1414 N ARG A 89 10.662 -5.425 -3.953 1.00 0.00 N ATOM 1415 CA ARG A 89 9.747 -6.120 -4.852 1.00 0.00 C ATOM 1416 C ARG A 89 9.320 -5.225 -6.013 1.00 0.00 C ATOM 1417 O ARG A 89 9.155 -5.694 -7.139 1.00 0.00 O ATOM 1418 CB ARG A 89 8.516 -6.606 -4.085 1.00 0.00 C ATOM 1419 CG ARG A 89 8.754 -7.889 -3.306 1.00 0.00 C ATOM 1420 CD ARG A 89 8.665 -7.667 -1.804 1.00 0.00 C ATOM 1421 NE ARG A 89 9.522 -6.576 -1.352 1.00 0.00 N ATOM 1422 CZ ARG A 89 9.680 -6.245 -0.074 1.00 0.00 C ATOM 1423 NH1 ARG A 89 9.045 -6.924 0.873 1.00 0.00 N ATOM 1424 NH2 ARG A 89 10.474 -5.237 0.259 1.00 0.00 N ATOM 0 H ARG A 89 10.301 -5.290 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 89 10.275 -6.980 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.196 -5.825 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.698 -6.764 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.020 -8.637 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.737 -8.288 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.632 -7.451 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.946 -8.584 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 89 10.028 -6.038 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.435 -7.701 0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.167 -6.669 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.965 -4.714 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.594 -4.985 1.240 1.00 0.00 H new ATOM 1438 N PHE A 90 9.142 -3.935 -5.735 1.00 0.00 N ATOM 1439 CA PHE A 90 8.734 -2.982 -6.764 1.00 0.00 C ATOM 1440 C PHE A 90 9.897 -2.076 -7.157 1.00 0.00 C ATOM 1441 O PHE A 90 9.739 -0.860 -7.260 1.00 0.00 O ATOM 1442 CB PHE A 90 7.562 -2.129 -6.271 1.00 0.00 C ATOM 1443 CG PHE A 90 6.475 -2.921 -5.604 1.00 0.00 C ATOM 1444 CD1 PHE A 90 5.483 -3.535 -6.351 1.00 0.00 C ATOM 1445 CD2 PHE A 90 6.446 -3.050 -4.226 1.00 0.00 C ATOM 1446 CE1 PHE A 90 4.483 -4.264 -5.735 1.00 0.00 C ATOM 1447 CE2 PHE A 90 5.449 -3.777 -3.604 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.467 -4.384 -4.360 1.00 0.00 C ATOM 0 H PHE A 90 9.273 -3.527 -4.809 1.00 0.00 H new ATOM 0 HA PHE A 90 8.420 -3.550 -7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.937 -1.383 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.138 -1.588 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.491 -3.443 -7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.212 -2.577 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.716 -4.739 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.438 -3.870 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.687 -4.953 -3.876 1.00 0.00 H new ATOM 1458 N HIS A 91 11.061 -2.675 -7.383 1.00 0.00 N ATOM 1459 CA HIS A 91 12.254 -1.919 -7.756 1.00 0.00 C ATOM 1460 C HIS A 91 12.021 -1.101 -9.026 1.00 0.00 C ATOM 1461 O HIS A 91 12.797 -0.200 -9.343 1.00 0.00 O ATOM 1462 CB HIS A 91 13.441 -2.865 -7.955 1.00 0.00 C ATOM 1463 CG HIS A 91 13.321 -3.740 -9.165 1.00 0.00 C ATOM 1464 ND1 HIS A 91 14.371 -3.975 -10.029 1.00 0.00 N ATOM 1465 CD2 HIS A 91 12.271 -4.445 -9.651 1.00 0.00 C ATOM 1466 CE1 HIS A 91 13.971 -4.785 -10.994 1.00 0.00 C ATOM 1467 NE2 HIS A 91 12.702 -5.085 -10.788 1.00 0.00 N ATOM 0 H HIS A 91 11.205 -3.682 -7.315 1.00 0.00 H new ATOM 0 HA HIS A 91 12.477 -1.228 -6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 91 14.354 -2.275 -8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 91 13.544 -3.495 -7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 91 11.280 -4.495 -9.224 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.579 -5.141 -11.812 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.134 -5.693 -11.377 1.00 0.00 H new ATOM 1476 N GLY A 92 10.950 -1.421 -9.746 1.00 0.00 N ATOM 1477 CA GLY A 92 10.641 -0.707 -10.972 1.00 0.00 C ATOM 1478 C GLY A 92 9.643 0.418 -10.761 1.00 0.00 C ATOM 1479 O GLY A 92 9.558 1.339 -11.573 1.00 0.00 O ATOM 0 H GLY A 92 10.291 -2.161 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.560 -0.297 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.242 -1.408 -11.705 1.00 0.00 H new ATOM 1483 N THR A 93 8.889 0.345 -9.668 1.00 0.00 N ATOM 1484 CA THR A 93 7.892 1.364 -9.360 1.00 0.00 C ATOM 1485 C THR A 93 7.966 1.785 -7.895 1.00 0.00 C ATOM 1486 O THR A 93 7.696 0.989 -6.996 1.00 0.00 O ATOM 1487 CB THR A 93 6.468 0.862 -9.667 1.00 0.00 C ATOM 1488 OG1 THR A 93 6.401 0.365 -11.008 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.450 1.978 -9.485 1.00 0.00 C ATOM 0 H THR A 93 8.950 -0.408 -8.982 1.00 0.00 H new ATOM 0 HA THR A 93 8.113 2.224 -9.992 1.00 0.00 H new ATOM 0 HB THR A 93 6.233 0.058 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.493 0.047 -11.194 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.452 1.600 -9.707 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.482 2.335 -8.456 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.686 2.799 -10.162 1.00 0.00 H new ATOM 1497 N GLY A 94 8.333 3.044 -7.666 1.00 0.00 N ATOM 1498 CA GLY A 94 8.433 3.556 -6.311 1.00 0.00 C ATOM 1499 C GLY A 94 7.087 3.591 -5.608 1.00 0.00 C ATOM 1500 O GLY A 94 7.005 3.394 -4.396 1.00 0.00 O ATOM 0 H GLY A 94 8.563 3.718 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.123 2.934 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.854 4.561 -6.335 1.00 0.00 H new ATOM 1504 N MET A 95 6.033 3.846 -6.378 1.00 0.00 N ATOM 1505 CA MET A 95 4.674 3.907 -5.845 1.00 0.00 C ATOM 1506 C MET A 95 3.661 3.831 -6.983 1.00 0.00 C ATOM 1507 O MET A 95 3.843 4.464 -8.024 1.00 0.00 O ATOM 1508 CB MET A 95 4.469 5.195 -5.044 1.00 0.00 C ATOM 1509 CG MET A 95 3.075 5.330 -4.450 1.00 0.00 C ATOM 1510 SD MET A 95 2.589 3.897 -3.469 1.00 0.00 S ATOM 1511 CE MET A 95 3.657 4.086 -2.046 1.00 0.00 C ATOM 0 H MET A 95 6.095 4.015 -7.382 1.00 0.00 H new ATOM 0 HA MET A 95 4.524 3.057 -5.179 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.203 5.232 -4.239 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.663 6.050 -5.692 1.00 0.00 H new ATOM 0 HG2 MET A 95 3.037 6.222 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.355 5.474 -5.255 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.208 3.591 -1.185 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.627 3.637 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.787 5.146 -1.827 1.00 0.00 H new ATOM 1521 N ARG A 96 2.597 3.057 -6.788 1.00 0.00 N ATOM 1522 CA ARG A 96 1.577 2.902 -7.821 1.00 0.00 C ATOM 1523 C ARG A 96 0.224 2.545 -7.220 1.00 0.00 C ATOM 1524 O ARG A 96 0.005 1.409 -6.823 1.00 0.00 O ATOM 1525 CB ARG A 96 1.996 1.805 -8.794 1.00 0.00 C ATOM 1526 CG ARG A 96 1.598 2.072 -10.235 1.00 0.00 C ATOM 1527 CD ARG A 96 1.635 0.797 -11.061 1.00 0.00 C ATOM 1528 NE ARG A 96 1.440 1.060 -12.485 1.00 0.00 N ATOM 1529 CZ ARG A 96 2.211 0.552 -13.443 1.00 0.00 C ATOM 1530 NH1 ARG A 96 3.242 -0.222 -13.131 1.00 0.00 N ATOM 1531 NH2 ARG A 96 1.955 0.823 -14.716 1.00 0.00 N ATOM 0 H ARG A 96 2.419 2.531 -5.932 1.00 0.00 H new ATOM 0 HA ARG A 96 1.482 3.854 -8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.078 1.683 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.553 0.862 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.595 2.499 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.272 2.810 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.592 0.297 -10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.861 0.115 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 96 0.669 1.668 -12.760 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.446 -0.430 -12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.830 -0.609 -13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.166 1.421 -14.961 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.547 0.433 -15.449 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.692 3.503 -7.181 1.00 0.00 N ATOM 1546 CA ILE A 97 -2.013 3.257 -6.634 1.00 0.00 C ATOM 1547 C ILE A 97 -2.746 2.187 -7.433 1.00 0.00 C ATOM 1548 O ILE A 97 -2.405 1.907 -8.582 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.841 4.554 -6.608 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.934 4.479 -5.535 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.433 4.841 -7.976 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.290 4.024 -6.036 1.00 0.00 C ATOM 0 H ILE A 97 -0.543 4.453 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.887 2.899 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.177 5.380 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.606 3.798 -4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.043 5.463 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.014 5.762 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.630 4.951 -8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.081 4.016 -8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.996 4.003 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.647 4.716 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.203 3.025 -6.464 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.754 1.595 -6.812 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.547 0.566 -7.446 1.00 0.00 C ATOM 1566 C LEU A 98 -6.029 0.766 -7.177 1.00 0.00 C ATOM 1567 O LEU A 98 -6.558 0.271 -6.182 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.136 -0.823 -6.961 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.475 -1.927 -7.948 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.638 -1.742 -9.195 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.277 -3.310 -7.344 1.00 0.00 C ATOM 0 H LEU A 98 -4.041 1.816 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.366 0.642 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.063 -0.831 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.629 -1.030 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.531 -1.857 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.873 -2.529 -9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.856 -0.771 -9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.581 -1.792 -8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.531 -4.070 -8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.236 -3.430 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.922 -3.422 -6.473 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.694 1.507 -8.052 1.00 0.00 N ATOM 1584 CA ASP A 99 -8.126 1.730 -7.912 1.00 0.00 C ATOM 1585 C ASP A 99 -8.848 0.402 -8.044 1.00 0.00 C ATOM 1586 O ASP A 99 -9.250 0.014 -9.139 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.640 2.691 -8.981 1.00 0.00 C ATOM 1588 CG ASP A 99 -9.875 3.450 -8.535 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -10.569 2.967 -7.615 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -10.150 4.525 -9.108 1.00 0.00 O ATOM 0 H ASP A 99 -6.269 1.961 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.315 2.172 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.853 3.401 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.869 2.131 -9.888 1.00 0.00 H new ATOM 1595 N LEU A 100 -8.991 -0.302 -6.932 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.651 -1.593 -6.939 1.00 0.00 C ATOM 1597 C LEU A 100 -11.057 -1.483 -7.504 1.00 0.00 C ATOM 1598 O LEU A 100 -11.617 -2.465 -7.991 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.696 -2.187 -5.530 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.338 -2.366 -4.843 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.435 -3.415 -3.741 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.270 -2.753 -5.859 1.00 0.00 C ATOM 0 H LEU A 100 -8.659 0.000 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.073 -2.258 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.318 -1.546 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.188 -3.158 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.051 -1.416 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.463 -3.531 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.169 -3.097 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.743 -4.368 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.313 -2.876 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.548 -3.691 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.184 -1.970 -6.612 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.626 -0.286 -7.431 1.00 0.00 N ATOM 1615 CA ARG A 101 -12.960 -0.047 -7.959 1.00 0.00 C ATOM 1616 C ARG A 101 -13.003 -0.435 -9.431 1.00 0.00 C ATOM 1617 O ARG A 101 -14.073 -0.598 -10.018 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.342 1.423 -7.787 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.432 1.860 -6.334 1.00 0.00 C ATOM 1620 CD ARG A 101 -13.883 3.306 -6.216 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.214 3.513 -6.780 1.00 0.00 N ATOM 1622 CZ ARG A 101 -15.653 4.687 -7.223 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -14.872 5.755 -7.167 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -16.877 4.792 -7.723 1.00 0.00 N ATOM 0 H ARG A 101 -11.184 0.532 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.677 -0.656 -7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.607 2.044 -8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.302 1.600 -8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.131 1.215 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.460 1.740 -5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.884 3.601 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.169 3.951 -6.727 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.842 2.712 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.930 5.678 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.212 6.654 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.482 3.972 -7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.214 5.693 -8.063 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.817 -0.581 -10.017 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.682 -0.955 -11.413 1.00 0.00 C ATOM 1640 C LEU A 102 -11.555 -2.468 -11.563 1.00 0.00 C ATOM 1641 O LEU A 102 -12.188 -3.069 -12.432 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.454 -0.278 -12.013 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.391 1.241 -11.832 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.055 1.772 -12.316 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.537 1.918 -12.570 1.00 0.00 C ATOM 0 H LEU A 102 -10.929 -0.443 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.577 -0.628 -11.942 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.562 -0.718 -11.566 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.420 -0.502 -13.079 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.491 1.468 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.023 2.853 -12.182 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.251 1.311 -11.742 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.930 1.534 -13.372 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.474 2.997 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.472 1.687 -13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.487 1.556 -12.177 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.733 -3.084 -10.710 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.524 -4.528 -10.765 1.00 0.00 C ATOM 1659 C PHE A 103 -11.329 -5.242 -9.684 1.00 0.00 C ATOM 1660 O PHE A 103 -12.400 -4.784 -9.284 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.036 -4.856 -10.609 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.133 -3.707 -10.928 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.696 -3.480 -12.222 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.724 -2.854 -9.924 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -6.861 -2.417 -12.505 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -6.895 -1.794 -10.198 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.459 -1.571 -11.489 1.00 0.00 C ATOM 0 H PHE A 103 -10.206 -2.607 -9.979 1.00 0.00 H new ATOM 0 HA PHE A 103 -10.869 -4.880 -11.737 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.849 -5.181 -9.585 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.787 -5.694 -11.260 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.011 -4.140 -13.017 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.059 -3.022 -8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.523 -2.248 -13.517 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.584 -1.134 -9.402 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.806 -0.738 -11.704 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.798 -6.365 -9.216 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.444 -7.162 -8.187 1.00 0.00 C ATOM 1679 C GLU A 104 -10.391 -7.817 -7.311 1.00 0.00 C ATOM 1680 O GLU A 104 -9.256 -7.353 -7.247 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.347 -8.223 -8.821 1.00 0.00 C ATOM 1682 CG GLU A 104 -11.632 -9.100 -9.835 1.00 0.00 C ATOM 1683 CD GLU A 104 -12.527 -10.187 -10.398 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -13.275 -9.904 -11.357 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -12.478 -11.322 -9.879 1.00 0.00 O ATOM 0 H GLU A 104 -9.909 -6.746 -9.540 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.064 -6.511 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.760 -8.854 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.188 -7.729 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.263 -8.479 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.762 -9.558 -9.365 1.00 0.00 H new ATOM 1692 N THR A 105 -10.766 -8.881 -6.624 1.00 0.00 N ATOM 1693 CA THR A 105 -9.822 -9.581 -5.766 1.00 0.00 C ATOM 1694 C THR A 105 -8.656 -10.143 -6.576 1.00 0.00 C ATOM 1695 O THR A 105 -7.503 -9.786 -6.348 1.00 0.00 O ATOM 1696 CB THR A 105 -10.498 -10.732 -4.995 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.386 -10.207 -4.002 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.459 -11.625 -4.338 1.00 0.00 C ATOM 0 H THR A 105 -11.706 -9.277 -6.641 1.00 0.00 H new ATOM 0 HA THR A 105 -9.448 -8.849 -5.050 1.00 0.00 H new ATOM 0 HB THR A 105 -11.069 -11.329 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.025 -9.366 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.959 -12.430 -3.800 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.808 -12.049 -5.103 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.863 -11.037 -3.640 1.00 0.00 H new ATOM 1706 N ASP A 106 -8.963 -11.010 -7.533 1.00 0.00 N ATOM 1707 CA ASP A 106 -7.930 -11.614 -8.366 1.00 0.00 C ATOM 1708 C ASP A 106 -7.484 -10.647 -9.455 1.00 0.00 C ATOM 1709 O ASP A 106 -6.367 -10.735 -9.959 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.440 -12.913 -8.989 1.00 0.00 C ATOM 1711 CG ASP A 106 -7.432 -13.540 -9.932 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -7.405 -13.151 -11.117 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -6.667 -14.422 -9.483 1.00 0.00 O ATOM 0 H ASP A 106 -9.913 -11.310 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.071 -11.842 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.681 -13.622 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.365 -12.714 -9.531 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.367 -9.722 -9.806 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.045 -8.741 -10.827 1.00 0.00 C ATOM 1720 C GLY A 107 -7.002 -7.754 -10.347 1.00 0.00 C ATOM 1721 O GLY A 107 -6.008 -7.502 -11.029 1.00 0.00 O ATOM 0 H GLY A 107 -9.300 -9.632 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.680 -9.251 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.949 -8.204 -11.114 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.234 -7.198 -9.164 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.314 -6.242 -8.566 1.00 0.00 C ATOM 1727 C ALA A 108 -5.008 -6.925 -8.194 1.00 0.00 C ATOM 1728 O ALA A 108 -3.932 -6.458 -8.552 1.00 0.00 O ATOM 1729 CB ALA A 108 -6.947 -5.605 -7.341 1.00 0.00 C ATOM 0 H ALA A 108 -8.059 -7.396 -8.597 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.098 -5.461 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.250 -4.891 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.861 -5.088 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.184 -6.378 -6.610 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.109 -8.030 -7.465 1.00 0.00 N ATOM 1736 CA LEU A 109 -3.933 -8.783 -7.064 1.00 0.00 C ATOM 1737 C LEU A 109 -3.042 -9.019 -8.272 1.00 0.00 C ATOM 1738 O LEU A 109 -1.830 -8.806 -8.222 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.371 -10.113 -6.464 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.511 -10.657 -5.318 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.236 -9.581 -4.276 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.203 -11.843 -4.672 1.00 0.00 C ATOM 0 H LEU A 109 -5.993 -8.422 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.371 -8.221 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.394 -10.005 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.391 -10.857 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.555 -10.977 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.624 -9.997 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.707 -8.750 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.180 -9.225 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.587 -12.225 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.170 -11.530 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.350 -12.627 -5.415 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.667 -9.452 -9.363 1.00 0.00 N ATOM 1755 CA GLU A 110 -2.949 -9.704 -10.605 1.00 0.00 C ATOM 1756 C GLU A 110 -2.224 -8.447 -11.066 1.00 0.00 C ATOM 1757 O GLU A 110 -1.082 -8.519 -11.517 1.00 0.00 O ATOM 1758 CB GLU A 110 -3.899 -10.191 -11.693 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.125 -11.693 -11.680 1.00 0.00 C ATOM 1760 CD GLU A 110 -2.851 -12.482 -11.913 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -2.359 -12.489 -13.060 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -2.348 -13.095 -10.948 1.00 0.00 O ATOM 0 H GLU A 110 -4.669 -9.635 -9.411 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.213 -10.485 -10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.859 -9.687 -11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.502 -9.901 -12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.556 -11.983 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.853 -11.953 -12.448 1.00 0.00 H new ATOM 1769 N GLU A 111 -2.896 -7.297 -10.959 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.295 -6.021 -11.346 1.00 0.00 C ATOM 1771 C GLU A 111 -0.895 -5.924 -10.764 1.00 0.00 C ATOM 1772 O GLU A 111 0.096 -5.759 -11.487 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.139 -4.849 -10.840 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.390 -4.594 -11.654 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.082 -4.171 -13.076 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -3.893 -2.958 -13.308 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.028 -5.052 -13.959 1.00 0.00 O ATOM 0 H GLU A 111 -3.851 -7.225 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.249 -5.973 -12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.424 -5.040 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.527 -3.947 -10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.999 -5.498 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.984 -3.819 -11.169 1.00 0.00 H new ATOM 1784 N ILE A 112 -0.831 -6.037 -9.445 1.00 0.00 N ATOM 1785 CA ILE A 112 0.435 -5.994 -8.737 1.00 0.00 C ATOM 1786 C ILE A 112 1.455 -6.894 -9.426 1.00 0.00 C ATOM 1787 O ILE A 112 2.495 -6.421 -9.875 1.00 0.00 O ATOM 1788 CB ILE A 112 0.265 -6.427 -7.265 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.646 -5.446 -6.533 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.615 -6.524 -6.568 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -2.043 -5.974 -6.309 1.00 0.00 C ATOM 0 H ILE A 112 -1.646 -6.160 -8.844 1.00 0.00 H new ATOM 0 HA ILE A 112 0.793 -4.965 -8.753 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.195 -7.415 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.201 -5.199 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.703 -4.520 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.469 -6.831 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.237 -7.259 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.108 -5.552 -6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.635 -5.225 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.507 -6.195 -7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.996 -6.884 -5.711 1.00 0.00 H new ATOM 1803 N LEU A 113 1.134 -8.182 -9.540 1.00 0.00 N ATOM 1804 CA LEU A 113 2.016 -9.143 -10.191 1.00 0.00 C ATOM 1805 C LEU A 113 2.533 -8.604 -11.520 1.00 0.00 C ATOM 1806 O LEU A 113 3.731 -8.653 -11.802 1.00 0.00 O ATOM 1807 CB LEU A 113 1.256 -10.443 -10.447 1.00 0.00 C ATOM 1808 CG LEU A 113 1.072 -11.405 -9.271 1.00 0.00 C ATOM 1809 CD1 LEU A 113 1.850 -10.979 -8.040 1.00 0.00 C ATOM 1810 CD2 LEU A 113 -0.397 -11.500 -8.956 1.00 0.00 C ATOM 0 H LEU A 113 0.265 -8.583 -9.187 1.00 0.00 H new ATOM 0 HA LEU A 113 2.865 -9.323 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.267 -10.184 -10.826 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.771 -10.981 -11.243 1.00 0.00 H new ATOM 0 HG LEU A 113 1.467 -12.379 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.683 -11.697 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.913 -10.941 -8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.514 -9.993 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.546 -12.182 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.777 -10.513 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.933 -11.873 -9.829 1.00 0.00 H new ATOM 2019 N ARG A 127 4.832 -11.397 4.536 1.00 0.00 N ATOM 2020 CA ARG A 127 4.075 -10.536 5.442 1.00 0.00 C ATOM 2021 C ARG A 127 3.315 -9.454 4.683 1.00 0.00 C ATOM 2022 O ARG A 127 2.258 -9.001 5.123 1.00 0.00 O ATOM 2023 CB ARG A 127 5.013 -9.882 6.460 1.00 0.00 C ATOM 2024 CG ARG A 127 5.517 -10.835 7.530 1.00 0.00 C ATOM 2025 CD ARG A 127 4.393 -11.283 8.451 1.00 0.00 C ATOM 2026 NE ARG A 127 4.871 -12.178 9.501 1.00 0.00 N ATOM 2027 CZ ARG A 127 4.093 -12.675 10.458 1.00 0.00 C ATOM 2028 NH1 ARG A 127 2.805 -12.363 10.501 1.00 0.00 N ATOM 2029 NH2 ARG A 127 4.604 -13.484 11.374 1.00 0.00 N ATOM 0 HA ARG A 127 3.350 -11.164 5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.868 -9.458 5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.492 -9.054 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.971 -11.706 7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.296 -10.347 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.926 -10.409 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.624 -11.788 7.866 1.00 0.00 H new ATOM 0 HE ARG A 127 5.858 -12.437 9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.408 -11.740 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.212 -12.746 11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.595 -13.726 11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.007 -13.865 12.108 1.00 0.00 H new ATOM 2043 N MET A 128 3.859 -9.040 3.543 1.00 0.00 N ATOM 2044 CA MET A 128 3.228 -8.006 2.734 1.00 0.00 C ATOM 2045 C MET A 128 2.003 -8.548 2.019 1.00 0.00 C ATOM 2046 O MET A 128 0.941 -7.937 2.056 1.00 0.00 O ATOM 2047 CB MET A 128 4.234 -7.418 1.730 1.00 0.00 C ATOM 2048 CG MET A 128 3.618 -6.935 0.421 1.00 0.00 C ATOM 2049 SD MET A 128 4.528 -7.505 -1.025 1.00 0.00 S ATOM 2050 CE MET A 128 3.233 -8.393 -1.882 1.00 0.00 C ATOM 0 H MET A 128 4.732 -9.404 3.161 1.00 0.00 H new ATOM 0 HA MET A 128 2.900 -7.206 3.398 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.752 -6.583 2.202 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.986 -8.174 1.505 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.587 -7.284 0.358 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.586 -5.845 0.419 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.614 -9.358 -2.217 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.391 -8.549 -1.207 1.00 0.00 H new ATOM 0 HE3 MET A 128 2.904 -7.814 -2.745 1.00 0.00 H new ATOM 2060 N PHE A 129 2.157 -9.690 1.370 1.00 0.00 N ATOM 2061 CA PHE A 129 1.051 -10.297 0.642 1.00 0.00 C ATOM 2062 C PHE A 129 -0.101 -10.622 1.587 1.00 0.00 C ATOM 2063 O PHE A 129 -1.255 -10.693 1.167 1.00 0.00 O ATOM 2064 CB PHE A 129 1.510 -11.558 -0.092 1.00 0.00 C ATOM 2065 CG PHE A 129 0.457 -12.139 -0.994 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.043 -11.452 -2.124 1.00 0.00 C ATOM 2067 CD2 PHE A 129 -0.119 -13.366 -0.712 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.925 -11.978 -2.956 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -1.088 -13.899 -1.541 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.491 -13.204 -2.665 1.00 0.00 C ATOM 0 H PHE A 129 3.031 -10.214 1.331 1.00 0.00 H new ATOM 0 HA PHE A 129 0.699 -9.578 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.395 -11.324 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.805 -12.309 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.483 -10.493 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.192 -13.913 0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.239 -11.432 -3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.529 -14.857 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.247 -13.619 -3.315 1.00 0.00 H new ATOM 2080 N ARG A 130 0.220 -10.825 2.861 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.796 -11.116 3.864 1.00 0.00 C ATOM 2082 C ARG A 130 -1.834 -10.003 3.883 1.00 0.00 C ATOM 2083 O ARG A 130 -3.038 -10.253 3.855 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.147 -11.244 5.243 1.00 0.00 C ATOM 2085 CG ARG A 130 0.874 -12.364 5.335 1.00 0.00 C ATOM 2086 CD ARG A 130 0.212 -13.697 5.637 1.00 0.00 C ATOM 2087 NE ARG A 130 1.177 -14.704 6.072 1.00 0.00 N ATOM 2088 CZ ARG A 130 0.831 -15.903 6.533 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -0.447 -16.252 6.589 1.00 0.00 N ATOM 2090 NH2 ARG A 130 1.764 -16.757 6.934 1.00 0.00 N ATOM 0 H ARG A 130 1.174 -10.793 3.222 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.285 -12.058 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.337 -10.301 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.926 -11.412 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.424 -12.434 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.600 -12.133 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.542 -13.559 6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.307 -14.053 4.747 1.00 0.00 H new ATOM 0 HE ARG A 130 2.170 -14.475 6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -1.168 -15.601 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.709 -17.172 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 130 2.749 -16.495 6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.497 -17.676 7.287 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.342 -8.771 3.932 1.00 0.00 N ATOM 2105 CA LEU A 131 -2.180 -7.588 3.943 1.00 0.00 C ATOM 2106 C LEU A 131 -2.661 -7.266 2.536 1.00 0.00 C ATOM 2107 O LEU A 131 -3.838 -6.987 2.313 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.368 -6.419 4.487 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.420 -6.782 5.621 1.00 0.00 C ATOM 2110 CD1 LEU A 131 0.732 -5.804 5.690 1.00 0.00 C ATOM 2111 CD2 LEU A 131 -1.168 -6.818 6.940 1.00 0.00 C ATOM 0 H LEU A 131 -0.343 -8.568 3.965 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.051 -7.766 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.789 -5.984 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.054 -5.648 4.837 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.012 -7.774 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.397 -6.082 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.284 -5.825 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.346 -4.799 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.478 -7.079 7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.602 -5.838 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.962 -7.563 6.888 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.722 -7.305 1.598 1.00 0.00 N ATOM 2124 CA LEU A 132 -1.999 -7.026 0.196 1.00 0.00 C ATOM 2125 C LEU A 132 -3.243 -7.756 -0.293 1.00 0.00 C ATOM 2126 O LEU A 132 -4.205 -7.134 -0.743 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.804 -7.451 -0.652 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.746 -6.821 -2.035 1.00 0.00 C ATOM 2129 CD1 LEU A 132 0.114 -5.570 -2.008 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.216 -7.831 -3.034 1.00 0.00 C ATOM 0 H LEU A 132 -0.746 -7.531 1.789 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.176 -5.955 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.111 -7.201 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.822 -8.535 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.750 -6.528 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.147 -5.129 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.311 -4.851 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.125 -5.830 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.176 -7.377 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.785 -8.145 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.876 -8.698 -3.059 1.00 0.00 H new ATOM 2142 N SER A 133 -3.212 -9.077 -0.199 1.00 0.00 N ATOM 2143 CA SER A 133 -4.328 -9.899 -0.643 1.00 0.00 C ATOM 2144 C SER A 133 -5.518 -9.768 0.294 1.00 0.00 C ATOM 2145 O SER A 133 -6.642 -10.069 -0.086 1.00 0.00 O ATOM 2146 CB SER A 133 -3.904 -11.360 -0.761 1.00 0.00 C ATOM 2147 OG SER A 133 -3.555 -11.898 0.502 1.00 0.00 O ATOM 0 H SER A 133 -2.425 -9.603 0.181 1.00 0.00 H new ATOM 0 HA SER A 133 -4.633 -9.542 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.716 -11.943 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.055 -11.441 -1.440 1.00 0.00 H new ATOM 0 HG SER A 133 -2.638 -11.636 0.727 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.268 -9.328 1.521 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.342 -9.149 2.490 1.00 0.00 C ATOM 2155 C ALA A 134 -7.161 -7.912 2.156 1.00 0.00 C ATOM 2156 O ALA A 134 -8.350 -7.840 2.459 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.781 -9.060 3.894 1.00 0.00 C ATOM 0 H ALA A 134 -4.338 -9.090 1.867 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.000 -10.016 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.597 -8.926 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.242 -9.978 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.100 -8.212 3.961 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.509 -6.927 1.549 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.189 -5.707 1.146 1.00 0.00 C ATOM 2165 C PHE A 135 -7.834 -5.928 -0.213 1.00 0.00 C ATOM 2166 O PHE A 135 -8.883 -5.371 -0.527 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.209 -4.539 1.078 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.876 -3.214 0.883 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.402 -2.521 1.961 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -6.961 -2.656 -0.378 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -8.004 -1.291 1.781 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.557 -1.429 -0.568 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.080 -0.743 0.513 1.00 0.00 C ATOM 0 H PHE A 135 -5.514 -6.951 1.327 1.00 0.00 H new ATOM 0 HA PHE A 135 -7.954 -5.462 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.624 -4.511 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.509 -4.709 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.341 -2.947 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.555 -3.189 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.414 -0.759 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.616 -1.004 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.547 0.220 0.367 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.181 -6.752 -1.013 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.666 -7.096 -2.332 1.00 0.00 C ATOM 2185 C ILE A 136 -8.890 -7.995 -2.190 1.00 0.00 C ATOM 2186 O ILE A 136 -9.818 -7.957 -2.998 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.552 -7.841 -3.110 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.079 -7.028 -4.311 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -6.992 -9.231 -3.532 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.738 -6.373 -4.077 1.00 0.00 C ATOM 0 H ILE A 136 -6.299 -7.200 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 136 -7.939 -6.193 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.708 -7.959 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.014 -7.679 -5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.819 -6.261 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.183 -9.720 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.242 -9.817 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.867 -9.155 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.450 -5.808 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.806 -5.699 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -3.989 -7.139 -3.876 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.860 -8.803 -1.134 1.00 0.00 N ATOM 2203 CA ALA A 137 -9.918 -9.754 -0.834 1.00 0.00 C ATOM 2204 C ALA A 137 -11.035 -9.145 0.007 1.00 0.00 C ATOM 2205 O ALA A 137 -12.198 -9.134 -0.396 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.316 -10.943 -0.102 1.00 0.00 C ATOM 0 H ALA A 137 -8.095 -8.814 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.365 -10.064 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -10.101 -11.664 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.563 -11.416 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.852 -10.603 0.824 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.667 -8.641 1.180 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.631 -8.070 2.114 1.00 0.00 C ATOM 2214 C ASP A 138 -11.687 -6.547 2.052 1.00 0.00 C ATOM 2215 O ASP A 138 -12.699 -5.947 2.413 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.288 -8.515 3.530 1.00 0.00 C ATOM 2217 CG ASP A 138 -11.519 -9.999 3.743 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -12.658 -10.379 4.087 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -10.561 -10.780 3.566 1.00 0.00 O ATOM 0 H ASP A 138 -9.702 -8.616 1.508 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.617 -8.435 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -10.245 -8.279 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -11.891 -7.951 4.241 1.00 0.00 H new