USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 904 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 71 THR OG1 : rot -26:sc= 0.155 USER MOD Set 2.2: A 105 GLN :FLIP amide:sc= -0.215 F(o=-1.3!,f=-0.06) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 51 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Set 4.1: A 31 ASN : amide:sc= -0.728 X(o=-4.5,f=-4.7) USER MOD Set 4.2: A 91 GLN : amide:sc= -3.76! C(o=-4.5!,f=-8.6!) USER MOD Set 5.1: A 24 THR OG1 : rot 38:sc= 1.17 USER MOD Set 5.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 145:sc= 0.762 (180deg=0.214) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -1.9! (180deg=-6.12!) USER MOD Single : A 30 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.738 K(o=-0.74,f=-6.4!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 140:sc= -0.967 USER MOD Single : A 46 CYS SG : rot 0:sc= 0.457 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -160:sc= 0.0862 USER MOD Single : A 63 THR OG1 : rot -48:sc= 0.318 USER MOD Single : A 74 ASN : amide:sc= 0.338 K(o=0.34,f=-3.6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 140:sc= 0.677 (180deg=0.0553) USER MOD Single : A 82 THR OG1 : rot 91:sc= 1.15 USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= 1.3 (180deg=1.04) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -137:sc= -3.67! (180deg=-3.91!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc=-0.00143 X(o=-0.0014,f=-0.0012) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -8.19! C(o=-8.2!,f=-7.9!) USER MOD Single : A 103 LYS NZ :NH3+ -166:sc= 0.637 (180deg=0.328) USER MOD Single : A 109 LYS NZ :NH3+ -135:sc= -0.459 (180deg=-2.35!) USER MOD Single : A 110 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.5!) USER MOD Single : A 116 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.14) USER MOD Single : A 127 LYS NZ :NH3+ -127:sc= -0.506 (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 14.396 -10.688 11.212 1.00 0.00 N ATOM 2 CA GLY A 13 13.495 -9.724 11.887 1.00 0.00 C ATOM 3 C GLY A 13 13.961 -8.295 11.713 1.00 0.00 C ATOM 4 O GLY A 13 15.078 -8.052 11.257 1.00 0.00 O ATOM 0 HA2 GLY A 13 12.487 -9.828 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.441 -9.961 12.950 1.00 0.00 H new ATOM 10 N SER A 14 13.102 -7.350 12.064 1.00 0.00 N ATOM 11 CA SER A 14 13.430 -5.937 11.981 1.00 0.00 C ATOM 12 C SER A 14 13.875 -5.422 13.351 1.00 0.00 C ATOM 13 O SER A 14 13.049 -5.226 14.245 1.00 0.00 O ATOM 14 CB SER A 14 12.210 -5.154 11.488 1.00 0.00 C ATOM 15 OG SER A 14 11.741 -5.669 10.249 1.00 0.00 O ATOM 0 H SER A 14 12.163 -7.541 12.413 1.00 0.00 H new ATOM 0 HA SER A 14 14.249 -5.798 11.275 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.415 -5.206 12.232 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.471 -4.102 11.373 1.00 0.00 H new ATOM 0 HG SER A 14 10.961 -5.154 9.955 1.00 0.00 H new ATOM 21 N PRO A 15 15.194 -5.227 13.541 1.00 0.00 N ATOM 22 CA PRO A 15 15.765 -4.781 14.822 1.00 0.00 C ATOM 23 C PRO A 15 15.219 -3.433 15.292 1.00 0.00 C ATOM 24 O PRO A 15 14.997 -3.228 16.486 1.00 0.00 O ATOM 25 CB PRO A 15 17.266 -4.669 14.529 1.00 0.00 C ATOM 26 CG PRO A 15 17.492 -5.544 13.348 1.00 0.00 C ATOM 27 CD PRO A 15 16.241 -5.446 12.527 1.00 0.00 C ATOM 0 HA PRO A 15 15.516 -5.475 15.625 1.00 0.00 H new ATOM 0 HB2 PRO A 15 17.551 -3.638 14.317 1.00 0.00 H new ATOM 0 HB3 PRO A 15 17.860 -4.996 15.382 1.00 0.00 H new ATOM 0 HG2 PRO A 15 18.361 -5.216 12.778 1.00 0.00 H new ATOM 0 HG3 PRO A 15 17.681 -6.573 13.653 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.290 -4.623 11.814 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.063 -6.355 11.953 1.00 0.00 H new ATOM 35 N GLY A 16 15.010 -2.515 14.360 1.00 0.00 N ATOM 36 CA GLY A 16 14.531 -1.196 14.724 1.00 0.00 C ATOM 37 C GLY A 16 14.356 -0.293 13.523 1.00 0.00 C ATOM 38 O GLY A 16 15.210 -0.257 12.632 1.00 0.00 O ATOM 0 H GLY A 16 15.163 -2.658 13.362 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.579 -1.290 15.246 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.233 -0.737 15.421 1.00 0.00 H new ATOM 42 N ILE A 17 13.249 0.435 13.497 1.00 0.00 N ATOM 43 CA ILE A 17 12.942 1.330 12.395 1.00 0.00 C ATOM 44 C ILE A 17 12.943 2.777 12.878 1.00 0.00 C ATOM 45 O ILE A 17 12.653 3.047 14.045 1.00 0.00 O ATOM 46 CB ILE A 17 11.578 0.985 11.754 1.00 0.00 C ATOM 47 CG1 ILE A 17 10.451 1.181 12.776 1.00 0.00 C ATOM 48 CG2 ILE A 17 11.603 -0.434 11.203 1.00 0.00 C ATOM 49 CD1 ILE A 17 9.157 0.472 12.440 1.00 0.00 C ATOM 0 H ILE A 17 12.544 0.421 14.234 1.00 0.00 H new ATOM 0 HA ILE A 17 13.713 1.204 11.635 1.00 0.00 H new ATOM 0 HB ILE A 17 11.388 1.660 10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.798 0.832 13.749 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.249 2.248 12.873 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.638 -0.667 10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.384 -0.517 10.448 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.805 -1.135 12.013 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.421 0.669 13.219 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.780 0.836 11.484 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.337 -0.601 12.374 1.00 0.00 H new ATOM 61 N PRO A 18 13.269 3.723 11.991 1.00 0.00 N ATOM 62 CA PRO A 18 13.416 5.128 12.364 1.00 0.00 C ATOM 63 C PRO A 18 12.078 5.841 12.570 1.00 0.00 C ATOM 64 O PRO A 18 11.770 6.299 13.670 1.00 0.00 O ATOM 65 CB PRO A 18 14.177 5.725 11.181 1.00 0.00 C ATOM 66 CG PRO A 18 13.843 4.859 10.014 1.00 0.00 C ATOM 67 CD PRO A 18 13.525 3.493 10.558 1.00 0.00 C ATOM 0 HA PRO A 18 13.926 5.240 13.321 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.877 6.757 11.002 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.251 5.733 11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.993 5.263 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.680 4.812 9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.656 3.060 10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.354 2.802 10.408 1.00 0.00 H new ATOM 75 N VAL A 19 11.288 5.932 11.511 1.00 0.00 N ATOM 76 CA VAL A 19 10.033 6.626 11.541 1.00 0.00 C ATOM 77 C VAL A 19 8.904 5.739 11.035 1.00 0.00 C ATOM 78 O VAL A 19 8.707 5.602 9.828 1.00 0.00 O ATOM 79 CB VAL A 19 10.093 7.889 10.682 1.00 0.00 C ATOM 80 CG1 VAL A 19 10.443 9.099 11.528 1.00 0.00 C ATOM 81 CG2 VAL A 19 11.100 7.723 9.560 1.00 0.00 C ATOM 0 H VAL A 19 11.512 5.519 10.605 1.00 0.00 H new ATOM 0 HA VAL A 19 9.837 6.898 12.578 1.00 0.00 H new ATOM 0 HB VAL A 19 9.107 8.048 10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.480 9.986 10.896 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.685 9.235 12.300 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.415 8.946 11.997 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.129 8.632 8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.087 7.536 9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.809 6.882 8.931 1.00 0.00 H new ATOM 91 N PRO A 20 8.180 5.095 11.948 1.00 0.00 N ATOM 92 CA PRO A 20 6.980 4.347 11.606 1.00 0.00 C ATOM 93 C PRO A 20 5.854 5.270 11.158 1.00 0.00 C ATOM 94 O PRO A 20 5.311 6.051 11.947 1.00 0.00 O ATOM 95 CB PRO A 20 6.577 3.633 12.890 1.00 0.00 C ATOM 96 CG PRO A 20 7.668 3.886 13.883 1.00 0.00 C ATOM 97 CD PRO A 20 8.489 5.041 13.375 1.00 0.00 C ATOM 0 HA PRO A 20 7.168 3.661 10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.623 4.009 13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.452 2.564 12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.248 4.116 14.862 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.289 2.999 14.003 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.222 5.971 13.876 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.553 4.880 13.547 1.00 0.00 H new ATOM 105 N GLY A 21 5.507 5.169 9.897 1.00 0.00 N ATOM 106 CA GLY A 21 4.497 6.032 9.325 1.00 0.00 C ATOM 107 C GLY A 21 3.313 5.250 8.808 1.00 0.00 C ATOM 108 O GLY A 21 3.460 4.108 8.375 1.00 0.00 O ATOM 0 H GLY A 21 5.910 4.496 9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.160 6.745 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.933 6.611 8.511 1.00 0.00 H new ATOM 112 N LYS A 22 2.140 5.854 8.858 1.00 0.00 N ATOM 113 CA LYS A 22 0.927 5.195 8.405 1.00 0.00 C ATOM 114 C LYS A 22 -0.062 6.218 7.868 1.00 0.00 C ATOM 115 O LYS A 22 -0.270 7.268 8.478 1.00 0.00 O ATOM 116 CB LYS A 22 0.286 4.366 9.538 1.00 0.00 C ATOM 117 CG LYS A 22 -0.323 5.183 10.682 1.00 0.00 C ATOM 118 CD LYS A 22 0.726 5.903 11.524 1.00 0.00 C ATOM 119 CE LYS A 22 1.616 4.933 12.281 1.00 0.00 C ATOM 120 NZ LYS A 22 2.635 5.637 13.103 1.00 0.00 N ATOM 0 H LYS A 22 2.001 6.802 9.208 1.00 0.00 H new ATOM 0 HA LYS A 22 1.195 4.511 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.493 3.736 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.043 3.700 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.015 5.916 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.905 4.522 11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.341 6.530 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.229 6.566 12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.001 4.305 12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.115 4.271 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.801 5.105 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.524 5.708 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.294 6.592 13.336 1.00 0.00 H new ATOM 134 N VAL A 23 -0.654 5.933 6.718 1.00 0.00 N ATOM 135 CA VAL A 23 -1.668 6.810 6.166 1.00 0.00 C ATOM 136 C VAL A 23 -2.865 5.977 5.729 1.00 0.00 C ATOM 137 O VAL A 23 -2.703 4.839 5.290 1.00 0.00 O ATOM 138 CB VAL A 23 -1.108 7.656 4.987 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.536 6.777 3.895 1.00 0.00 C ATOM 140 CG2 VAL A 23 -2.170 8.572 4.411 1.00 0.00 C ATOM 0 H VAL A 23 -0.450 5.107 6.155 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.984 7.514 6.935 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.303 8.269 5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.154 7.402 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.275 6.173 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.317 6.122 3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.746 9.149 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.004 7.975 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.524 9.251 5.186 1.00 0.00 H new ATOM 150 N THR A 24 -4.066 6.506 5.900 1.00 0.00 N ATOM 151 CA THR A 24 -5.254 5.765 5.531 1.00 0.00 C ATOM 152 C THR A 24 -5.974 6.435 4.367 1.00 0.00 C ATOM 153 O THR A 24 -6.193 7.648 4.359 1.00 0.00 O ATOM 154 CB THR A 24 -6.217 5.575 6.729 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.322 4.740 6.354 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.739 6.907 7.247 1.00 0.00 C ATOM 0 H THR A 24 -4.240 7.434 6.287 1.00 0.00 H new ATOM 0 HA THR A 24 -4.927 4.775 5.215 1.00 0.00 H new ATOM 0 HB THR A 24 -5.651 5.096 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.008 4.033 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.411 6.732 8.087 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.902 7.523 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.279 7.421 6.451 1.00 0.00 H new ATOM 164 N LEU A 25 -6.292 5.630 3.364 1.00 0.00 N ATOM 165 CA LEU A 25 -7.020 6.079 2.192 1.00 0.00 C ATOM 166 C LEU A 25 -8.141 5.093 1.912 1.00 0.00 C ATOM 167 O LEU A 25 -8.437 4.222 2.737 1.00 0.00 O ATOM 168 CB LEU A 25 -6.108 6.154 0.950 1.00 0.00 C ATOM 169 CG LEU A 25 -4.972 7.184 0.972 1.00 0.00 C ATOM 170 CD1 LEU A 25 -5.472 8.542 1.436 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.815 6.701 1.829 1.00 0.00 C ATOM 0 H LEU A 25 -6.049 4.640 3.343 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.409 7.077 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.667 5.169 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.735 6.362 0.083 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.605 7.299 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.645 9.252 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.249 8.895 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.882 8.454 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.023 7.450 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.161 6.541 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.429 5.765 1.425 1.00 0.00 H new ATOM 183 N GLN A 26 -8.739 5.206 0.745 1.00 0.00 N ATOM 184 CA GLN A 26 -9.762 4.290 0.317 1.00 0.00 C ATOM 185 C GLN A 26 -9.471 3.835 -1.091 1.00 0.00 C ATOM 186 O GLN A 26 -8.760 4.500 -1.832 1.00 0.00 O ATOM 187 CB GLN A 26 -11.145 4.928 0.396 1.00 0.00 C ATOM 188 CG GLN A 26 -11.622 5.124 1.817 1.00 0.00 C ATOM 189 CD GLN A 26 -12.973 5.803 1.903 1.00 0.00 C ATOM 190 OE1 GLN A 26 -13.340 6.610 1.048 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.723 5.480 2.942 1.00 0.00 N ATOM 0 H GLN A 26 -8.525 5.939 0.069 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.759 3.429 0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.124 5.893 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.859 4.302 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.677 4.155 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.888 5.718 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.381 4.807 3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.643 5.904 3.058 1.00 0.00 H new ATOM 200 N LYS A 27 -10.001 2.680 -1.412 1.00 0.00 N ATOM 201 CA LYS A 27 -9.836 2.052 -2.722 1.00 0.00 C ATOM 202 C LYS A 27 -10.066 3.024 -3.876 1.00 0.00 C ATOM 203 O LYS A 27 -10.916 3.914 -3.817 1.00 0.00 O ATOM 204 CB LYS A 27 -10.834 0.911 -2.851 1.00 0.00 C ATOM 205 CG LYS A 27 -10.979 0.098 -1.594 1.00 0.00 C ATOM 206 CD LYS A 27 -9.715 -0.664 -1.296 1.00 0.00 C ATOM 207 CE LYS A 27 -9.587 -0.996 0.160 1.00 0.00 C ATOM 208 NZ LYS A 27 -8.392 -1.825 0.439 1.00 0.00 N ATOM 0 H LYS A 27 -10.571 2.132 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.807 1.698 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.807 1.319 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.522 0.256 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.218 0.755 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.811 -0.598 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.701 -1.584 -1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.854 -0.074 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.531 -0.074 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.480 -1.526 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.096 -1.687 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.621 -2.827 0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.618 -1.544 -0.197 1.00 0.00 H new ATOM 222 N ASP A 28 -9.296 2.806 -4.922 1.00 0.00 N ATOM 223 CA ASP A 28 -9.404 3.552 -6.169 1.00 0.00 C ATOM 224 C ASP A 28 -10.610 3.040 -6.961 1.00 0.00 C ATOM 225 O ASP A 28 -11.307 2.139 -6.496 1.00 0.00 O ATOM 226 CB ASP A 28 -8.100 3.358 -6.963 1.00 0.00 C ATOM 227 CG ASP A 28 -8.025 4.156 -8.249 1.00 0.00 C ATOM 228 OD1 ASP A 28 -7.638 5.337 -8.198 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.331 3.592 -9.320 1.00 0.00 O ATOM 0 H ASP A 28 -8.564 2.095 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.550 4.615 -5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.258 3.635 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.987 2.300 -7.199 1.00 0.00 H new ATOM 234 N ALA A 29 -10.861 3.584 -8.143 1.00 0.00 N ATOM 235 CA ALA A 29 -11.916 3.065 -9.008 1.00 0.00 C ATOM 236 C ALA A 29 -11.613 1.619 -9.406 1.00 0.00 C ATOM 237 O ALA A 29 -12.507 0.849 -9.758 1.00 0.00 O ATOM 238 CB ALA A 29 -12.069 3.936 -10.244 1.00 0.00 C ATOM 0 H ALA A 29 -10.352 4.381 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.856 3.084 -8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.860 3.534 -10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.326 4.952 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.131 3.948 -10.799 1.00 0.00 H new ATOM 244 N GLN A 30 -10.338 1.258 -9.323 1.00 0.00 N ATOM 245 CA GLN A 30 -9.875 -0.086 -9.621 1.00 0.00 C ATOM 246 C GLN A 30 -9.833 -0.907 -8.341 1.00 0.00 C ATOM 247 O GLN A 30 -9.241 -1.980 -8.282 1.00 0.00 O ATOM 248 CB GLN A 30 -8.508 0.017 -10.230 1.00 0.00 C ATOM 249 CG GLN A 30 -8.408 -0.658 -11.582 1.00 0.00 C ATOM 250 CD GLN A 30 -8.308 -2.167 -11.477 1.00 0.00 C ATOM 251 OE1 GLN A 30 -9.315 -2.875 -11.455 1.00 0.00 O ATOM 252 NE2 GLN A 30 -7.087 -2.673 -11.418 1.00 0.00 N ATOM 0 H GLN A 30 -9.593 1.897 -9.045 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.550 -0.581 -10.319 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.242 1.069 -10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.780 -0.430 -9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.281 -0.397 -12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.535 -0.276 -12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.277 -2.054 -11.439 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.956 -3.682 -11.352 1.00 0.00 H new ATOM 261 N ASN A 31 -10.433 -0.317 -7.321 1.00 0.00 N ATOM 262 CA ASN A 31 -10.621 -0.891 -5.985 1.00 0.00 C ATOM 263 C ASN A 31 -9.306 -1.232 -5.291 1.00 0.00 C ATOM 264 O ASN A 31 -9.289 -1.915 -4.269 1.00 0.00 O ATOM 265 CB ASN A 31 -11.588 -2.088 -5.993 1.00 0.00 C ATOM 266 CG ASN A 31 -10.996 -3.422 -6.415 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.050 -3.796 -7.587 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.459 -4.159 -5.465 1.00 0.00 N ATOM 0 H ASN A 31 -10.824 0.622 -7.399 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.087 -0.105 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.005 -2.199 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.418 -1.854 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.069 -5.075 -5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.433 -3.814 -4.505 1.00 0.00 H new ATOM 275 N LEU A 32 -8.225 -0.682 -5.807 1.00 0.00 N ATOM 276 CA LEU A 32 -6.899 -0.899 -5.240 1.00 0.00 C ATOM 277 C LEU A 32 -6.346 0.420 -4.722 1.00 0.00 C ATOM 278 O LEU A 32 -7.118 1.343 -4.473 1.00 0.00 O ATOM 279 CB LEU A 32 -5.964 -1.536 -6.275 1.00 0.00 C ATOM 280 CG LEU A 32 -6.127 -1.053 -7.724 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.754 0.414 -7.878 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.292 -1.911 -8.659 1.00 0.00 C ATOM 0 H LEU A 32 -8.235 -0.075 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.973 -1.594 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.935 -1.352 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.115 -2.615 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.180 -1.152 -7.989 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.883 0.715 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.397 1.022 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.714 0.558 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.416 -1.559 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.242 -1.842 -8.376 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.619 -2.949 -8.590 1.00 0.00 H new ATOM 294 N ILE A 33 -5.040 0.536 -4.542 1.00 0.00 N ATOM 295 CA ILE A 33 -4.488 1.775 -4.064 1.00 0.00 C ATOM 296 C ILE A 33 -3.674 2.479 -5.142 1.00 0.00 C ATOM 297 O ILE A 33 -3.503 3.698 -5.101 1.00 0.00 O ATOM 298 CB ILE A 33 -3.635 1.560 -2.809 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.691 0.099 -2.351 1.00 0.00 C ATOM 300 CG2 ILE A 33 -4.154 2.471 -1.716 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.738 -0.211 -1.216 1.00 0.00 C ATOM 0 H ILE A 33 -4.360 -0.203 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.329 2.417 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.595 1.795 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.708 -0.137 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.460 -0.549 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.559 2.332 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.082 3.509 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.196 2.229 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.829 -1.262 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.715 -0.006 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.982 0.412 -0.355 1.00 0.00 H new ATOM 313 N GLY A 34 -3.199 1.717 -6.117 1.00 0.00 N ATOM 314 CA GLY A 34 -2.457 2.294 -7.222 1.00 0.00 C ATOM 315 C GLY A 34 -0.958 2.223 -7.021 1.00 0.00 C ATOM 316 O GLY A 34 -0.237 3.166 -7.364 1.00 0.00 O ATOM 0 H GLY A 34 -3.315 0.705 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.721 1.773 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.753 3.335 -7.349 1.00 0.00 H new ATOM 320 N ILE A 35 -0.489 1.117 -6.459 1.00 0.00 N ATOM 321 CA ILE A 35 0.939 0.930 -6.214 1.00 0.00 C ATOM 322 C ILE A 35 1.434 -0.412 -6.718 1.00 0.00 C ATOM 323 O ILE A 35 0.661 -1.267 -7.161 1.00 0.00 O ATOM 324 CB ILE A 35 1.283 1.046 -4.711 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.387 0.135 -3.867 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.162 2.480 -4.249 1.00 0.00 C ATOM 327 CD1 ILE A 35 0.904 -1.278 -3.715 1.00 0.00 C ATOM 0 H ILE A 35 -1.074 0.335 -6.164 1.00 0.00 H new ATOM 0 HA ILE A 35 1.439 1.726 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 35 2.315 0.722 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.271 0.575 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.604 0.100 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.408 2.543 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.850 3.105 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.141 2.828 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.210 -1.855 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.993 -1.741 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.882 -1.258 -3.234 1.00 0.00 H new ATOM 339 N SER A 36 2.738 -0.574 -6.634 1.00 0.00 N ATOM 340 CA SER A 36 3.396 -1.821 -6.946 1.00 0.00 C ATOM 341 C SER A 36 4.488 -2.092 -5.930 1.00 0.00 C ATOM 342 O SER A 36 5.353 -1.251 -5.695 1.00 0.00 O ATOM 343 CB SER A 36 3.956 -1.790 -8.360 1.00 0.00 C ATOM 344 OG SER A 36 2.910 -1.939 -9.294 1.00 0.00 O ATOM 0 H SER A 36 3.376 0.167 -6.344 1.00 0.00 H new ATOM 0 HA SER A 36 2.669 -2.631 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.478 -0.849 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.687 -2.589 -8.489 1.00 0.00 H new ATOM 0 HG SER A 36 3.277 -1.917 -10.202 1.00 0.00 H new ATOM 350 N ILE A 37 4.426 -3.260 -5.318 1.00 0.00 N ATOM 351 CA ILE A 37 5.323 -3.595 -4.217 1.00 0.00 C ATOM 352 C ILE A 37 6.098 -4.891 -4.460 1.00 0.00 C ATOM 353 O ILE A 37 5.533 -5.917 -4.841 1.00 0.00 O ATOM 354 CB ILE A 37 4.551 -3.687 -2.875 1.00 0.00 C ATOM 355 CG1 ILE A 37 4.160 -2.290 -2.391 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.371 -4.406 -1.809 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.249 -2.298 -1.182 1.00 0.00 C ATOM 0 H ILE A 37 3.764 -3.997 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 37 6.049 -2.784 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 37 3.646 -4.269 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.065 -1.732 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.665 -1.759 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.801 -4.453 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.599 -5.417 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.300 -3.863 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.014 -1.273 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.327 -2.827 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.748 -2.800 -0.353 1.00 0.00 H new ATOM 369 N GLY A 38 7.400 -4.807 -4.249 1.00 0.00 N ATOM 370 CA GLY A 38 8.264 -5.959 -4.276 1.00 0.00 C ATOM 371 C GLY A 38 9.431 -5.773 -3.323 1.00 0.00 C ATOM 372 O GLY A 38 10.228 -4.853 -3.490 1.00 0.00 O ATOM 0 H GLY A 38 7.883 -3.930 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.700 -6.850 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.636 -6.118 -5.288 1.00 0.00 H new ATOM 376 N GLY A 39 9.508 -6.613 -2.301 1.00 0.00 N ATOM 377 CA GLY A 39 10.566 -6.495 -1.317 1.00 0.00 C ATOM 378 C GLY A 39 11.929 -6.842 -1.881 1.00 0.00 C ATOM 379 O GLY A 39 12.278 -8.018 -1.993 1.00 0.00 O ATOM 0 H GLY A 39 8.854 -7.378 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.586 -5.476 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.348 -7.151 -0.474 1.00 0.00 H new ATOM 383 N GLY A 40 12.706 -5.820 -2.229 1.00 0.00 N ATOM 384 CA GLY A 40 14.018 -6.045 -2.784 1.00 0.00 C ATOM 385 C GLY A 40 13.984 -6.475 -4.235 1.00 0.00 C ATOM 386 O GLY A 40 12.921 -6.743 -4.794 1.00 0.00 O ATOM 0 H GLY A 40 12.444 -4.839 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.605 -5.131 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.528 -6.809 -2.197 1.00 0.00 H new ATOM 390 N ALA A 41 15.159 -6.530 -4.835 1.00 0.00 N ATOM 391 CA ALA A 41 15.310 -6.976 -6.218 1.00 0.00 C ATOM 392 C ALA A 41 16.727 -7.481 -6.444 1.00 0.00 C ATOM 393 O ALA A 41 16.949 -8.519 -7.072 1.00 0.00 O ATOM 394 CB ALA A 41 14.986 -5.847 -7.185 1.00 0.00 C ATOM 0 H ALA A 41 16.036 -6.269 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 41 14.610 -7.790 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 41 15.105 -6.200 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.958 -5.520 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.663 -5.011 -7.009 1.00 0.00 H new ATOM 400 N GLN A 42 17.682 -6.731 -5.919 1.00 0.00 N ATOM 401 CA GLN A 42 19.084 -7.116 -5.949 1.00 0.00 C ATOM 402 C GLN A 42 19.326 -8.207 -4.913 1.00 0.00 C ATOM 403 O GLN A 42 19.702 -7.909 -3.787 1.00 0.00 O ATOM 404 CB GLN A 42 19.981 -5.904 -5.646 1.00 0.00 C ATOM 405 CG GLN A 42 19.813 -4.719 -6.597 1.00 0.00 C ATOM 406 CD GLN A 42 18.463 -4.035 -6.483 1.00 0.00 C ATOM 407 OE1 GLN A 42 17.832 -4.041 -5.425 1.00 0.00 O ATOM 408 NE2 GLN A 42 18.016 -3.437 -7.573 1.00 0.00 N ATOM 0 H GLN A 42 17.507 -5.837 -5.460 1.00 0.00 H new ATOM 0 HA GLN A 42 19.330 -7.489 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.778 -5.566 -4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.022 -6.226 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.598 -3.990 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.951 -5.064 -7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.570 -3.456 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.116 -2.956 -7.559 1.00 0.00 H new ATOM 417 N TYR A 43 19.069 -9.462 -5.304 1.00 0.00 N ATOM 418 CA TYR A 43 19.092 -10.615 -4.387 1.00 0.00 C ATOM 419 C TYR A 43 17.808 -10.633 -3.544 1.00 0.00 C ATOM 420 O TYR A 43 17.585 -11.523 -2.724 1.00 0.00 O ATOM 421 CB TYR A 43 20.353 -10.609 -3.498 1.00 0.00 C ATOM 422 CG TYR A 43 20.492 -11.814 -2.592 1.00 0.00 C ATOM 423 CD1 TYR A 43 20.779 -13.068 -3.111 1.00 0.00 C ATOM 424 CD2 TYR A 43 20.335 -11.695 -1.215 1.00 0.00 C ATOM 425 CE1 TYR A 43 20.905 -14.170 -2.288 1.00 0.00 C ATOM 426 CE2 TYR A 43 20.459 -12.793 -0.385 1.00 0.00 C ATOM 427 CZ TYR A 43 20.745 -14.026 -0.927 1.00 0.00 C ATOM 428 OH TYR A 43 20.873 -15.124 -0.103 1.00 0.00 O ATOM 0 H TYR A 43 18.839 -9.710 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 43 19.132 -11.529 -4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 43 21.233 -10.549 -4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 43 20.344 -9.708 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 43 20.906 -13.185 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 43 20.113 -10.729 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.128 -15.139 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 43 20.332 -12.685 0.682 1.00 0.00 H new ATOM 0 HH TYR A 43 20.732 -14.853 0.828 1.00 0.00 H new ATOM 438 N CYS A 44 16.969 -9.625 -3.789 1.00 0.00 N ATOM 439 CA CYS A 44 15.646 -9.496 -3.180 1.00 0.00 C ATOM 440 C CYS A 44 15.744 -9.142 -1.698 1.00 0.00 C ATOM 441 O CYS A 44 15.211 -9.855 -0.848 1.00 0.00 O ATOM 442 CB CYS A 44 14.824 -10.776 -3.382 1.00 0.00 C ATOM 443 SG CYS A 44 14.639 -11.260 -5.116 1.00 0.00 S ATOM 0 H CYS A 44 17.195 -8.862 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 44 15.132 -8.676 -3.682 1.00 0.00 H new ATOM 0 HB2 CYS A 44 15.298 -11.591 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.835 -10.634 -2.947 1.00 0.00 H new ATOM 0 HG CYS A 44 14.747 -12.551 -5.220 1.00 0.00 H new ATOM 449 N PRO A 45 16.429 -8.029 -1.359 1.00 0.00 N ATOM 450 CA PRO A 45 16.567 -7.590 0.022 1.00 0.00 C ATOM 451 C PRO A 45 15.271 -6.994 0.581 1.00 0.00 C ATOM 452 O PRO A 45 14.460 -7.698 1.183 1.00 0.00 O ATOM 453 CB PRO A 45 17.671 -6.519 -0.036 1.00 0.00 C ATOM 454 CG PRO A 45 18.265 -6.639 -1.393 1.00 0.00 C ATOM 455 CD PRO A 45 17.156 -7.135 -2.266 1.00 0.00 C ATOM 0 HA PRO A 45 16.805 -8.423 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 45 17.261 -5.522 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 45 18.421 -6.685 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 45 18.642 -5.678 -1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 45 19.107 -7.332 -1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 45 16.527 -6.322 -2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.532 -7.662 -3.143 1.00 0.00 H new ATOM 463 N CYS A 46 15.070 -5.698 0.351 1.00 0.00 N ATOM 464 CA CYS A 46 13.903 -4.978 0.845 1.00 0.00 C ATOM 465 C CYS A 46 13.690 -3.728 0.000 1.00 0.00 C ATOM 466 O CYS A 46 14.532 -3.421 -0.835 1.00 0.00 O ATOM 467 CB CYS A 46 14.091 -4.572 2.316 1.00 0.00 C ATOM 468 SG CYS A 46 14.274 -5.954 3.470 1.00 0.00 S ATOM 0 H CYS A 46 15.715 -5.118 -0.185 1.00 0.00 H new ATOM 0 HA CYS A 46 13.034 -5.633 0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.972 -3.935 2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.235 -3.971 2.624 1.00 0.00 H new ATOM 0 HG CYS A 46 14.208 -7.076 2.817 1.00 0.00 H new ATOM 474 N LEU A 47 12.523 -3.090 0.179 1.00 0.00 N ATOM 475 CA LEU A 47 12.197 -1.741 -0.335 1.00 0.00 C ATOM 476 C LEU A 47 10.687 -1.645 -0.500 1.00 0.00 C ATOM 477 O LEU A 47 10.058 -0.641 -0.166 1.00 0.00 O ATOM 478 CB LEU A 47 12.923 -1.370 -1.656 1.00 0.00 C ATOM 479 CG LEU A 47 12.688 -2.276 -2.876 1.00 0.00 C ATOM 480 CD1 LEU A 47 11.421 -1.885 -3.613 1.00 0.00 C ATOM 481 CD2 LEU A 47 13.883 -2.222 -3.816 1.00 0.00 C ATOM 0 H LEU A 47 11.753 -3.508 0.701 1.00 0.00 H new ATOM 0 HA LEU A 47 12.559 -1.016 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.628 -0.357 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.994 -1.347 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 47 12.569 -3.298 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.281 -2.543 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.567 -1.977 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.503 -0.854 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.700 -2.869 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.031 -1.198 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.775 -2.561 -3.290 1.00 0.00 H new ATOM 493 N TYR A 48 10.118 -2.753 -0.954 1.00 0.00 N ATOM 494 CA TYR A 48 8.683 -2.910 -1.122 1.00 0.00 C ATOM 495 C TYR A 48 8.097 -2.005 -2.208 1.00 0.00 C ATOM 496 O TYR A 48 7.980 -2.441 -3.342 1.00 0.00 O ATOM 497 CB TYR A 48 7.970 -2.768 0.219 1.00 0.00 C ATOM 498 CG TYR A 48 8.405 -3.850 1.182 1.00 0.00 C ATOM 499 CD1 TYR A 48 9.584 -3.726 1.904 1.00 0.00 C ATOM 500 CD2 TYR A 48 7.662 -5.010 1.337 1.00 0.00 C ATOM 501 CE1 TYR A 48 10.010 -4.723 2.752 1.00 0.00 C ATOM 502 CE2 TYR A 48 8.078 -6.012 2.191 1.00 0.00 C ATOM 503 CZ TYR A 48 9.253 -5.865 2.895 1.00 0.00 C ATOM 504 OH TYR A 48 9.676 -6.869 3.740 1.00 0.00 O ATOM 0 H TYR A 48 10.651 -3.581 -1.220 1.00 0.00 H new ATOM 0 HA TYR A 48 8.508 -3.922 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.184 -1.788 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.892 -2.822 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.178 -2.830 1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.744 -5.132 0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.933 -4.611 3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.485 -6.907 2.307 1.00 0.00 H new ATOM 0 HH TYR A 48 10.195 -6.481 4.475 1.00 0.00 H new ATOM 514 N ILE A 49 7.748 -0.760 -1.917 1.00 0.00 N ATOM 515 CA ILE A 49 7.018 0.014 -2.915 1.00 0.00 C ATOM 516 C ILE A 49 7.960 0.483 -4.035 1.00 0.00 C ATOM 517 O ILE A 49 8.926 1.219 -3.816 1.00 0.00 O ATOM 518 CB ILE A 49 6.201 1.183 -2.291 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.028 1.566 -3.204 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.070 2.398 -2.027 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.384 2.573 -4.278 1.00 0.00 C ATOM 0 H ILE A 49 7.946 -0.279 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 49 6.277 -0.648 -3.363 1.00 0.00 H new ATOM 0 HB ILE A 49 5.813 0.834 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.642 0.664 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.223 1.973 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.463 3.192 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.869 2.131 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.504 2.746 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.502 2.790 -4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.741 3.491 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.166 2.163 -4.916 1.00 0.00 H new ATOM 533 N VAL A 50 7.686 -0.005 -5.237 1.00 0.00 N ATOM 534 CA VAL A 50 8.541 0.239 -6.390 1.00 0.00 C ATOM 535 C VAL A 50 7.952 1.310 -7.299 1.00 0.00 C ATOM 536 O VAL A 50 8.683 2.052 -7.952 1.00 0.00 O ATOM 537 CB VAL A 50 8.737 -1.051 -7.225 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.763 -0.836 -8.329 1.00 0.00 C ATOM 539 CG2 VAL A 50 9.145 -2.218 -6.342 1.00 0.00 C ATOM 0 H VAL A 50 6.868 -0.579 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 50 9.502 0.576 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 50 7.780 -1.292 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.882 -1.757 -8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.423 -0.040 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.720 -0.557 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.275 -3.110 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.083 -1.983 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.370 -2.400 -5.598 1.00 0.00 H new ATOM 549 N GLN A 51 6.630 1.402 -7.330 1.00 0.00 N ATOM 550 CA GLN A 51 5.965 2.240 -8.304 1.00 0.00 C ATOM 551 C GLN A 51 4.649 2.767 -7.758 1.00 0.00 C ATOM 552 O GLN A 51 3.909 2.045 -7.086 1.00 0.00 O ATOM 553 CB GLN A 51 5.730 1.447 -9.597 1.00 0.00 C ATOM 554 CG GLN A 51 4.378 1.709 -10.231 1.00 0.00 C ATOM 555 CD GLN A 51 4.119 0.857 -11.453 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.040 0.497 -12.187 1.00 0.00 O ATOM 557 NE2 GLN A 51 2.858 0.528 -11.673 1.00 0.00 N ATOM 0 H GLN A 51 6.004 0.908 -6.694 1.00 0.00 H new ATOM 0 HA GLN A 51 6.604 3.096 -8.521 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.513 1.696 -10.314 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.821 0.382 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.596 1.524 -9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.312 2.761 -10.509 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.129 0.850 -11.037 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.614 -0.048 -12.479 1.00 0.00 H new ATOM 566 N VAL A 52 4.383 4.031 -8.032 1.00 0.00 N ATOM 567 CA VAL A 52 3.116 4.644 -7.690 1.00 0.00 C ATOM 568 C VAL A 52 2.694 5.586 -8.814 1.00 0.00 C ATOM 569 O VAL A 52 3.518 5.980 -9.645 1.00 0.00 O ATOM 570 CB VAL A 52 3.197 5.425 -6.363 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.919 6.748 -6.548 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.816 5.644 -5.779 1.00 0.00 C ATOM 0 H VAL A 52 5.039 4.659 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 52 2.379 3.851 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 52 3.773 4.824 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.960 7.276 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.932 6.563 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.383 7.356 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.900 6.197 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.209 6.213 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.344 4.680 -5.589 1.00 0.00 H new ATOM 582 N PHE A 53 1.422 5.926 -8.854 1.00 0.00 N ATOM 583 CA PHE A 53 0.919 6.854 -9.858 1.00 0.00 C ATOM 584 C PHE A 53 0.780 8.257 -9.257 1.00 0.00 C ATOM 585 O PHE A 53 1.649 8.683 -8.497 1.00 0.00 O ATOM 586 CB PHE A 53 -0.400 6.335 -10.433 1.00 0.00 C ATOM 587 CG PHE A 53 -0.236 5.040 -11.184 1.00 0.00 C ATOM 588 CD1 PHE A 53 -0.326 3.821 -10.529 1.00 0.00 C ATOM 589 CD2 PHE A 53 0.025 5.047 -12.544 1.00 0.00 C ATOM 590 CE1 PHE A 53 -0.157 2.634 -11.217 1.00 0.00 C ATOM 591 CE2 PHE A 53 0.192 3.862 -13.238 1.00 0.00 C ATOM 592 CZ PHE A 53 0.100 2.656 -12.573 1.00 0.00 C ATOM 0 H PHE A 53 0.715 5.577 -8.206 1.00 0.00 H new ATOM 0 HA PHE A 53 1.629 6.925 -10.682 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.114 6.192 -9.622 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.822 7.087 -11.100 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.531 3.799 -9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.099 5.988 -13.069 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.226 1.691 -10.695 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.394 3.880 -14.299 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.229 1.730 -13.113 1.00 0.00 H new ATOM 602 N ASP A 54 -0.275 8.991 -9.604 1.00 0.00 N ATOM 603 CA ASP A 54 -0.510 10.308 -8.993 1.00 0.00 C ATOM 604 C ASP A 54 -1.964 10.503 -8.548 1.00 0.00 C ATOM 605 O ASP A 54 -2.239 11.225 -7.591 1.00 0.00 O ATOM 606 CB ASP A 54 -0.122 11.407 -9.976 1.00 0.00 C ATOM 607 CG ASP A 54 -0.224 12.797 -9.369 1.00 0.00 C ATOM 608 OD1 ASP A 54 0.648 13.164 -8.554 1.00 0.00 O ATOM 609 OD2 ASP A 54 -1.171 13.535 -9.717 1.00 0.00 O ATOM 0 H ASP A 54 -0.973 8.708 -10.292 1.00 0.00 H new ATOM 0 HA ASP A 54 0.111 10.363 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.899 11.239 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.767 11.349 -10.853 1.00 0.00 H new ATOM 614 N ASN A 55 -2.883 9.839 -9.224 1.00 0.00 N ATOM 615 CA ASN A 55 -4.309 10.042 -9.004 1.00 0.00 C ATOM 616 C ASN A 55 -4.873 8.925 -8.155 1.00 0.00 C ATOM 617 O ASN A 55 -6.059 8.916 -7.823 1.00 0.00 O ATOM 618 CB ASN A 55 -5.071 10.106 -10.331 1.00 0.00 C ATOM 619 CG ASN A 55 -4.774 11.364 -11.119 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.460 12.377 -10.978 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.757 11.309 -11.962 1.00 0.00 N ATOM 0 H ASN A 55 -2.666 9.145 -9.940 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.432 10.993 -8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.814 9.236 -10.935 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.141 10.051 -10.133 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.516 12.125 -12.525 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.213 10.451 -12.050 1.00 0.00 H new ATOM 628 N THR A 56 -4.019 7.976 -7.813 1.00 0.00 N ATOM 629 CA THR A 56 -4.428 6.862 -7.003 1.00 0.00 C ATOM 630 C THR A 56 -4.337 7.280 -5.556 1.00 0.00 C ATOM 631 O THR A 56 -3.474 8.087 -5.228 1.00 0.00 O ATOM 632 CB THR A 56 -3.533 5.632 -7.251 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.194 5.886 -6.801 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.498 5.288 -8.724 1.00 0.00 C ATOM 0 H THR A 56 -3.037 7.963 -8.089 1.00 0.00 H new ATOM 0 HA THR A 56 -5.449 6.581 -7.261 1.00 0.00 H new ATOM 0 HB THR A 56 -3.953 4.795 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.579 5.258 -7.234 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.861 4.417 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.507 5.066 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.100 6.133 -9.286 1.00 0.00 H new ATOM 642 N PRO A 57 -5.212 6.794 -4.678 1.00 0.00 N ATOM 643 CA PRO A 57 -5.220 7.225 -3.283 1.00 0.00 C ATOM 644 C PRO A 57 -3.833 7.122 -2.666 1.00 0.00 C ATOM 645 O PRO A 57 -3.381 8.027 -1.963 1.00 0.00 O ATOM 646 CB PRO A 57 -6.193 6.255 -2.604 1.00 0.00 C ATOM 647 CG PRO A 57 -6.434 5.166 -3.600 1.00 0.00 C ATOM 648 CD PRO A 57 -6.243 5.790 -4.947 1.00 0.00 C ATOM 0 HA PRO A 57 -5.516 8.268 -3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.770 5.856 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.124 6.756 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.739 4.340 -3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.440 4.759 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.919 5.062 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.162 6.240 -5.321 1.00 0.00 H new ATOM 656 N ALA A 58 -3.160 6.025 -2.986 1.00 0.00 N ATOM 657 CA ALA A 58 -1.794 5.774 -2.548 1.00 0.00 C ATOM 658 C ALA A 58 -0.848 6.873 -2.995 1.00 0.00 C ATOM 659 O ALA A 58 0.021 7.309 -2.243 1.00 0.00 O ATOM 660 CB ALA A 58 -1.316 4.469 -3.124 1.00 0.00 C ATOM 0 H ALA A 58 -3.550 5.279 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.798 5.742 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.294 4.280 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.962 3.661 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.345 4.519 -4.212 1.00 0.00 H new ATOM 666 N ALA A 59 -0.993 7.295 -4.236 1.00 0.00 N ATOM 667 CA ALA A 59 -0.147 8.334 -4.772 1.00 0.00 C ATOM 668 C ALA A 59 -0.542 9.687 -4.225 1.00 0.00 C ATOM 669 O ALA A 59 0.261 10.388 -3.606 1.00 0.00 O ATOM 670 CB ALA A 59 -0.264 8.352 -6.273 1.00 0.00 C ATOM 0 H ALA A 59 -1.689 6.933 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 59 0.882 8.126 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.375 9.137 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.047 7.387 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.299 8.545 -6.555 1.00 0.00 H new ATOM 676 N LEU A 60 -1.797 10.029 -4.471 1.00 0.00 N ATOM 677 CA LEU A 60 -2.308 11.367 -4.213 1.00 0.00 C ATOM 678 C LEU A 60 -2.108 11.866 -2.776 1.00 0.00 C ATOM 679 O LEU A 60 -1.248 12.710 -2.526 1.00 0.00 O ATOM 680 CB LEU A 60 -3.759 11.458 -4.665 1.00 0.00 C ATOM 681 CG LEU A 60 -4.848 10.801 -3.850 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.466 11.854 -2.967 1.00 0.00 C ATOM 683 CD2 LEU A 60 -5.883 10.215 -4.781 1.00 0.00 C ATOM 0 H LEU A 60 -2.490 9.387 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.703 12.053 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.008 12.516 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.812 11.042 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.444 9.997 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.257 11.406 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.703 12.271 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.885 12.647 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.671 9.740 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.313 11.008 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.413 9.473 -5.427 1.00 0.00 H new ATOM 695 N ASP A 61 -2.888 11.370 -1.847 1.00 0.00 N ATOM 696 CA ASP A 61 -2.759 11.754 -0.449 1.00 0.00 C ATOM 697 C ASP A 61 -1.905 10.737 0.253 1.00 0.00 C ATOM 698 O ASP A 61 -1.408 10.945 1.359 1.00 0.00 O ATOM 699 CB ASP A 61 -4.135 11.846 0.211 1.00 0.00 C ATOM 700 CG ASP A 61 -4.071 12.355 1.636 1.00 0.00 C ATOM 701 OD1 ASP A 61 -3.808 13.560 1.828 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.287 11.556 2.569 1.00 0.00 O ATOM 0 H ASP A 61 -3.628 10.692 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.291 12.736 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.771 12.507 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.603 10.862 0.203 1.00 0.00 H new ATOM 707 N GLY A 62 -1.729 9.636 -0.443 1.00 0.00 N ATOM 708 CA GLY A 62 -1.118 8.456 0.154 1.00 0.00 C ATOM 709 C GLY A 62 0.333 8.646 0.546 1.00 0.00 C ATOM 710 O GLY A 62 0.792 8.050 1.511 1.00 0.00 O ATOM 0 H GLY A 62 -1.998 9.527 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.689 8.172 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.188 7.627 -0.550 1.00 0.00 H new ATOM 714 N THR A 63 1.041 9.456 -0.231 1.00 0.00 N ATOM 715 CA THR A 63 2.468 9.758 -0.039 1.00 0.00 C ATOM 716 C THR A 63 3.326 8.487 0.102 1.00 0.00 C ATOM 717 O THR A 63 4.449 8.526 0.605 1.00 0.00 O ATOM 718 CB THR A 63 2.723 10.736 1.144 1.00 0.00 C ATOM 719 OG1 THR A 63 4.037 11.301 1.037 1.00 0.00 O ATOM 720 CG2 THR A 63 2.592 10.059 2.496 1.00 0.00 C ATOM 0 H THR A 63 0.636 9.937 -1.034 1.00 0.00 H new ATOM 0 HA THR A 63 2.783 10.266 -0.951 1.00 0.00 H new ATOM 0 HB THR A 63 1.962 11.514 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.687 10.587 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.780 10.786 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.585 9.656 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.317 9.248 2.569 1.00 0.00 H new ATOM 728 N VAL A 64 2.804 7.372 -0.393 1.00 0.00 N ATOM 729 CA VAL A 64 3.517 6.101 -0.364 1.00 0.00 C ATOM 730 C VAL A 64 4.108 5.812 -1.713 1.00 0.00 C ATOM 731 O VAL A 64 3.894 4.768 -2.329 1.00 0.00 O ATOM 732 CB VAL A 64 2.640 4.953 0.127 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.368 5.207 1.580 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.342 4.850 -0.660 1.00 0.00 C ATOM 0 H VAL A 64 1.881 7.323 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 64 4.328 6.189 0.359 1.00 0.00 H new ATOM 0 HB VAL A 64 3.152 4.002 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.741 4.409 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.310 5.235 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.854 6.162 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.749 4.020 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.778 5.777 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.567 4.679 -1.713 1.00 0.00 H new ATOM 744 N ALA A 65 4.854 6.786 -2.148 1.00 0.00 N ATOM 745 CA ALA A 65 5.377 6.822 -3.498 1.00 0.00 C ATOM 746 C ALA A 65 6.665 6.023 -3.615 1.00 0.00 C ATOM 747 O ALA A 65 7.223 5.571 -2.614 1.00 0.00 O ATOM 748 CB ALA A 65 5.603 8.264 -3.926 1.00 0.00 C ATOM 0 H ALA A 65 5.123 7.587 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 65 4.644 6.363 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.996 8.284 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.658 8.806 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.317 8.736 -3.251 1.00 0.00 H new ATOM 754 N ALA A 66 7.123 5.849 -4.851 1.00 0.00 N ATOM 755 CA ALA A 66 8.293 5.035 -5.140 1.00 0.00 C ATOM 756 C ALA A 66 9.506 5.522 -4.364 1.00 0.00 C ATOM 757 O ALA A 66 10.023 6.616 -4.613 1.00 0.00 O ATOM 758 CB ALA A 66 8.577 5.041 -6.632 1.00 0.00 C ATOM 0 H ALA A 66 6.693 6.268 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 66 8.084 4.013 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.455 4.429 -6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.718 4.636 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.762 6.063 -6.963 1.00 0.00 H new ATOM 764 N GLY A 67 9.951 4.710 -3.419 1.00 0.00 N ATOM 765 CA GLY A 67 11.071 5.091 -2.591 1.00 0.00 C ATOM 766 C GLY A 67 10.783 4.929 -1.113 1.00 0.00 C ATOM 767 O GLY A 67 11.637 5.225 -0.279 1.00 0.00 O ATOM 0 H GLY A 67 9.555 3.793 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.938 4.486 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.333 6.129 -2.795 1.00 0.00 H new ATOM 771 N ASP A 68 9.578 4.478 -0.779 1.00 0.00 N ATOM 772 CA ASP A 68 9.232 4.218 0.613 1.00 0.00 C ATOM 773 C ASP A 68 9.348 2.744 0.932 1.00 0.00 C ATOM 774 O ASP A 68 9.130 1.888 0.077 1.00 0.00 O ATOM 775 CB ASP A 68 7.819 4.688 0.935 1.00 0.00 C ATOM 776 CG ASP A 68 7.754 6.163 1.261 1.00 0.00 C ATOM 777 OD1 ASP A 68 7.821 6.991 0.333 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.652 6.502 2.456 1.00 0.00 O ATOM 0 H ASP A 68 8.831 4.287 -1.447 1.00 0.00 H new ATOM 0 HA ASP A 68 9.938 4.779 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.169 4.479 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.434 4.116 1.779 1.00 0.00 H new ATOM 783 N GLU A 69 9.684 2.453 2.169 1.00 0.00 N ATOM 784 CA GLU A 69 9.835 1.081 2.609 1.00 0.00 C ATOM 785 C GLU A 69 8.580 0.624 3.336 1.00 0.00 C ATOM 786 O GLU A 69 8.398 0.902 4.521 1.00 0.00 O ATOM 787 CB GLU A 69 11.057 0.918 3.516 1.00 0.00 C ATOM 788 CG GLU A 69 12.396 1.001 2.792 1.00 0.00 C ATOM 789 CD GLU A 69 12.730 2.393 2.299 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.977 3.283 3.138 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.755 2.603 1.069 1.00 0.00 O ATOM 0 H GLU A 69 9.859 3.151 2.892 1.00 0.00 H new ATOM 0 HA GLU A 69 9.986 0.460 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.027 1.688 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.992 -0.044 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.185 0.663 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.385 0.317 1.944 1.00 0.00 H new ATOM 798 N ILE A 70 7.714 -0.068 2.614 1.00 0.00 N ATOM 799 CA ILE A 70 6.462 -0.557 3.188 1.00 0.00 C ATOM 800 C ILE A 70 6.751 -1.672 4.192 1.00 0.00 C ATOM 801 O ILE A 70 7.623 -2.508 3.960 1.00 0.00 O ATOM 802 CB ILE A 70 5.506 -1.087 2.094 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.345 -0.059 0.972 1.00 0.00 C ATOM 804 CG2 ILE A 70 4.149 -1.446 2.687 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.746 1.252 1.425 1.00 0.00 C ATOM 0 H ILE A 70 7.850 -0.306 1.631 1.00 0.00 H new ATOM 0 HA ILE A 70 5.977 0.280 3.691 1.00 0.00 H new ATOM 0 HB ILE A 70 5.944 -1.991 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.321 0.133 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.715 -0.484 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.494 -1.816 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.276 -2.218 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.705 -0.561 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.664 1.928 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.756 1.074 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.386 1.701 2.185 1.00 0.00 H new ATOM 817 N THR A 71 6.043 -1.675 5.310 1.00 0.00 N ATOM 818 CA THR A 71 6.272 -2.686 6.329 1.00 0.00 C ATOM 819 C THR A 71 4.991 -3.444 6.692 1.00 0.00 C ATOM 820 O THR A 71 5.059 -4.536 7.257 1.00 0.00 O ATOM 821 CB THR A 71 6.911 -2.075 7.599 1.00 0.00 C ATOM 822 OG1 THR A 71 7.154 -3.095 8.580 1.00 0.00 O ATOM 823 CG2 THR A 71 6.026 -0.992 8.196 1.00 0.00 C ATOM 0 H THR A 71 5.314 -0.998 5.533 1.00 0.00 H new ATOM 0 HA THR A 71 6.971 -3.403 5.900 1.00 0.00 H new ATOM 0 HB THR A 71 7.859 -1.624 7.306 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.522 -3.833 8.448 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.503 -0.583 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.880 -0.197 7.465 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.060 -1.419 8.465 1.00 0.00 H new ATOM 831 N GLY A 72 3.825 -2.899 6.360 1.00 0.00 N ATOM 832 CA GLY A 72 2.599 -3.599 6.691 1.00 0.00 C ATOM 833 C GLY A 72 1.349 -2.950 6.139 1.00 0.00 C ATOM 834 O GLY A 72 1.361 -1.782 5.744 1.00 0.00 O ATOM 0 H GLY A 72 3.708 -2.007 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.663 -4.620 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.512 -3.665 7.776 1.00 0.00 H new ATOM 838 N VAL A 73 0.272 -3.725 6.123 1.00 0.00 N ATOM 839 CA VAL A 73 -1.014 -3.286 5.656 1.00 0.00 C ATOM 840 C VAL A 73 -2.046 -3.488 6.760 1.00 0.00 C ATOM 841 O VAL A 73 -2.163 -4.585 7.298 1.00 0.00 O ATOM 842 CB VAL A 73 -1.444 -4.094 4.407 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.834 -5.491 4.417 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.944 -4.224 4.373 1.00 0.00 C ATOM 0 H VAL A 73 0.280 -4.693 6.443 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.949 -2.231 5.389 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.090 -3.558 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.154 -6.034 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.253 -5.413 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.164 -6.026 5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.240 -4.793 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.285 -4.741 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.394 -3.232 4.332 1.00 0.00 H new ATOM 854 N ASN A 74 -2.766 -2.431 7.112 1.00 0.00 N ATOM 855 CA ASN A 74 -3.885 -2.530 8.053 1.00 0.00 C ATOM 856 C ASN A 74 -3.472 -3.186 9.373 1.00 0.00 C ATOM 857 O ASN A 74 -4.278 -3.853 10.025 1.00 0.00 O ATOM 858 CB ASN A 74 -5.044 -3.316 7.423 1.00 0.00 C ATOM 859 CG ASN A 74 -5.776 -2.541 6.339 1.00 0.00 C ATOM 860 OD1 ASN A 74 -5.197 -1.705 5.645 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.058 -2.827 6.180 1.00 0.00 N ATOM 0 H ASN A 74 -2.597 -1.488 6.760 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.210 -1.513 8.274 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.658 -4.243 6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.753 -3.593 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.602 -2.348 5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.502 -3.526 6.775 1.00 0.00 H new ATOM 868 N GLY A 75 -2.215 -3.007 9.756 1.00 0.00 N ATOM 869 CA GLY A 75 -1.747 -3.530 11.024 1.00 0.00 C ATOM 870 C GLY A 75 -0.967 -4.825 10.889 1.00 0.00 C ATOM 871 O GLY A 75 -0.218 -5.196 11.795 1.00 0.00 O ATOM 0 H GLY A 75 -1.511 -2.509 9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.117 -2.783 11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.603 -3.696 11.679 1.00 0.00 H new ATOM 875 N ARG A 76 -1.141 -5.530 9.778 1.00 0.00 N ATOM 876 CA ARG A 76 -0.449 -6.764 9.552 1.00 0.00 C ATOM 877 C ARG A 76 0.662 -6.593 8.524 1.00 0.00 C ATOM 878 O ARG A 76 0.429 -6.117 7.412 1.00 0.00 O ATOM 879 CB ARG A 76 -1.452 -7.807 9.096 1.00 0.00 C ATOM 880 CG ARG A 76 -2.585 -7.257 8.253 1.00 0.00 C ATOM 881 CD ARG A 76 -3.561 -8.344 7.850 1.00 0.00 C ATOM 882 NE ARG A 76 -4.759 -7.789 7.224 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.621 -8.502 6.503 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.410 -9.795 6.293 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.695 -7.919 5.994 1.00 0.00 N ATOM 0 H ARG A 76 -1.765 -5.253 9.020 1.00 0.00 H new ATOM 0 HA ARG A 76 0.022 -7.089 10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.928 -8.572 8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.873 -8.297 9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.112 -6.483 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.178 -6.784 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.074 -9.032 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.844 -8.923 8.729 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.946 -6.794 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.584 -10.247 6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.074 -10.337 5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.860 -6.925 6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.357 -8.463 5.441 1.00 0.00 H new ATOM 899 N SER A 77 1.870 -6.978 8.909 1.00 0.00 N ATOM 900 CA SER A 77 3.029 -6.903 8.033 1.00 0.00 C ATOM 901 C SER A 77 2.804 -7.736 6.771 1.00 0.00 C ATOM 902 O SER A 77 2.145 -8.779 6.810 1.00 0.00 O ATOM 903 CB SER A 77 4.265 -7.410 8.778 1.00 0.00 C ATOM 904 OG SER A 77 4.423 -6.740 10.017 1.00 0.00 O ATOM 0 H SER A 77 2.074 -7.351 9.836 1.00 0.00 H new ATOM 0 HA SER A 77 3.181 -5.865 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.176 -8.483 8.950 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.152 -7.258 8.163 1.00 0.00 H new ATOM 0 HG SER A 77 5.219 -7.083 10.475 1.00 0.00 H new ATOM 910 N ILE A 78 3.347 -7.273 5.651 1.00 0.00 N ATOM 911 CA ILE A 78 3.179 -7.985 4.389 1.00 0.00 C ATOM 912 C ILE A 78 4.222 -9.084 4.264 1.00 0.00 C ATOM 913 O ILE A 78 4.025 -10.080 3.569 1.00 0.00 O ATOM 914 CB ILE A 78 3.295 -7.082 3.143 1.00 0.00 C ATOM 915 CG1 ILE A 78 4.708 -6.509 2.964 1.00 0.00 C ATOM 916 CG2 ILE A 78 2.268 -5.965 3.189 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.042 -5.336 3.862 1.00 0.00 C ATOM 0 H ILE A 78 3.901 -6.419 5.590 1.00 0.00 H new ATOM 0 HA ILE A 78 2.167 -8.389 4.417 1.00 0.00 H new ATOM 0 HB ILE A 78 3.092 -7.711 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.432 -7.304 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.829 -6.199 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.369 -5.341 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.266 -6.393 3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.431 -5.357 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.060 -5.002 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.347 -4.519 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.959 -5.641 4.905 1.00 0.00 H new ATOM 929 N LYS A 79 5.330 -8.872 4.954 1.00 0.00 N ATOM 930 CA LYS A 79 6.473 -9.773 4.927 1.00 0.00 C ATOM 931 C LYS A 79 6.099 -11.167 5.421 1.00 0.00 C ATOM 932 O LYS A 79 6.742 -12.155 5.068 1.00 0.00 O ATOM 933 CB LYS A 79 7.570 -9.172 5.799 1.00 0.00 C ATOM 934 CG LYS A 79 8.818 -10.024 5.949 1.00 0.00 C ATOM 935 CD LYS A 79 9.853 -9.326 6.818 1.00 0.00 C ATOM 936 CE LYS A 79 9.289 -8.968 8.189 1.00 0.00 C ATOM 937 NZ LYS A 79 10.270 -8.220 9.015 1.00 0.00 N ATOM 0 H LYS A 79 5.464 -8.060 5.556 1.00 0.00 H new ATOM 0 HA LYS A 79 6.822 -9.885 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.857 -8.207 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.159 -8.980 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.556 -10.985 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.242 -10.230 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.722 -9.973 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.197 -8.420 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.387 -8.368 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.996 -9.880 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.847 -7.996 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.121 -8.802 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.530 -7.337 8.530 1.00 0.00 H new ATOM 951 N GLY A 80 5.049 -11.239 6.224 1.00 0.00 N ATOM 952 CA GLY A 80 4.621 -12.507 6.772 1.00 0.00 C ATOM 953 C GLY A 80 4.022 -13.431 5.729 1.00 0.00 C ATOM 954 O GLY A 80 3.999 -14.647 5.918 1.00 0.00 O ATOM 0 H GLY A 80 4.484 -10.438 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.473 -13.000 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.886 -12.328 7.556 1.00 0.00 H new ATOM 958 N LYS A 81 3.547 -12.871 4.619 1.00 0.00 N ATOM 959 CA LYS A 81 2.893 -13.686 3.606 1.00 0.00 C ATOM 960 C LYS A 81 3.563 -13.520 2.243 1.00 0.00 C ATOM 961 O LYS A 81 4.760 -13.782 2.110 1.00 0.00 O ATOM 962 CB LYS A 81 1.374 -13.414 3.540 1.00 0.00 C ATOM 963 CG LYS A 81 0.982 -11.942 3.450 1.00 0.00 C ATOM 964 CD LYS A 81 1.116 -11.220 4.783 1.00 0.00 C ATOM 965 CE LYS A 81 0.042 -11.648 5.775 1.00 0.00 C ATOM 966 NZ LYS A 81 0.283 -11.093 7.135 1.00 0.00 N ATOM 0 H LYS A 81 3.602 -11.876 4.403 1.00 0.00 H new ATOM 0 HA LYS A 81 3.011 -14.729 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.965 -13.936 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.905 -13.845 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.609 -11.447 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.047 -11.864 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.100 -11.420 5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.051 -10.144 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.933 -11.319 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.011 -12.736 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.621 -10.795 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.719 -11.822 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.920 -10.274 7.068 1.00 0.00 H new ATOM 980 N THR A 82 2.823 -13.068 1.237 1.00 0.00 N ATOM 981 CA THR A 82 3.358 -13.030 -0.119 1.00 0.00 C ATOM 982 C THR A 82 2.765 -11.875 -0.922 1.00 0.00 C ATOM 983 O THR A 82 1.632 -11.470 -0.677 1.00 0.00 O ATOM 984 CB THR A 82 3.087 -14.359 -0.861 1.00 0.00 C ATOM 985 OG1 THR A 82 3.397 -15.471 -0.011 1.00 0.00 O ATOM 986 CG2 THR A 82 3.914 -14.460 -2.135 1.00 0.00 C ATOM 0 H THR A 82 1.866 -12.728 1.331 1.00 0.00 H new ATOM 0 HA THR A 82 4.434 -12.881 -0.031 1.00 0.00 H new ATOM 0 HB THR A 82 2.030 -14.379 -1.128 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.597 -15.732 0.491 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.701 -15.406 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.661 -13.634 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.974 -14.413 -1.885 1.00 0.00 H new ATOM 994 N LYS A 83 3.543 -11.357 -1.864 1.00 0.00 N ATOM 995 CA LYS A 83 3.152 -10.210 -2.695 1.00 0.00 C ATOM 996 C LYS A 83 1.732 -10.360 -3.245 1.00 0.00 C ATOM 997 O LYS A 83 0.874 -9.504 -3.025 1.00 0.00 O ATOM 998 CB LYS A 83 4.137 -10.035 -3.862 1.00 0.00 C ATOM 999 CG LYS A 83 5.329 -10.978 -3.804 1.00 0.00 C ATOM 1000 CD LYS A 83 6.365 -10.676 -4.874 1.00 0.00 C ATOM 1001 CE LYS A 83 7.041 -9.336 -4.632 1.00 0.00 C ATOM 1002 NZ LYS A 83 8.364 -9.260 -5.301 1.00 0.00 N ATOM 0 H LYS A 83 4.472 -11.719 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 83 3.176 -9.327 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.606 -10.193 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.499 -9.007 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.796 -10.908 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.981 -12.005 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.116 -11.466 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.887 -10.672 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.401 -8.534 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.165 -9.179 -3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.946 -8.534 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.841 -10.182 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.233 -9.011 -6.302 1.00 0.00 H new ATOM 1016 N VAL A 84 1.490 -11.448 -3.953 1.00 0.00 N ATOM 1017 CA VAL A 84 0.194 -11.714 -4.532 1.00 0.00 C ATOM 1018 C VAL A 84 -0.909 -11.774 -3.462 1.00 0.00 C ATOM 1019 O VAL A 84 -2.022 -11.288 -3.676 1.00 0.00 O ATOM 1020 CB VAL A 84 0.248 -13.024 -5.337 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.768 -14.168 -4.485 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.106 -13.351 -5.902 1.00 0.00 C ATOM 0 H VAL A 84 2.187 -12.168 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.057 -10.891 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 84 0.942 -12.884 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.795 -15.081 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.773 -13.933 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.109 -14.312 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.049 -14.281 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.822 -13.465 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.430 -12.545 -6.560 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.584 -12.345 -2.307 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.542 -12.481 -1.219 1.00 0.00 C ATOM 1034 C GLU A 85 -1.850 -11.143 -0.560 1.00 0.00 C ATOM 1035 O GLU A 85 -2.980 -10.896 -0.151 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.012 -13.447 -0.165 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.711 -14.831 -0.703 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.334 -15.800 0.394 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.243 -16.331 1.060 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.875 -16.034 0.594 1.00 0.00 O ATOM 0 H GLU A 85 0.341 -12.722 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.464 -12.869 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.104 -13.031 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.743 -13.531 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.583 -15.209 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.102 -14.769 -1.426 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.849 -10.282 -0.448 1.00 0.00 N ATOM 1048 CA VAL A 86 -1.032 -9.015 0.247 1.00 0.00 C ATOM 1049 C VAL A 86 -1.899 -8.065 -0.564 1.00 0.00 C ATOM 1050 O VAL A 86 -2.774 -7.393 -0.021 1.00 0.00 O ATOM 1051 CB VAL A 86 0.307 -8.347 0.606 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.161 -9.285 1.435 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.080 -7.900 -0.613 1.00 0.00 C ATOM 0 H VAL A 86 0.087 -10.434 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.544 -9.242 1.182 1.00 0.00 H new ATOM 0 HB VAL A 86 0.066 -7.456 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.104 -8.797 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.634 -9.540 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.360 -10.194 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.015 -7.436 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.296 -8.763 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.487 -7.179 -1.175 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.644 -8.017 -1.863 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.531 -7.335 -2.800 1.00 0.00 C ATOM 1065 C ALA A 87 -3.960 -7.827 -2.610 1.00 0.00 C ATOM 1066 O ALA A 87 -4.901 -7.037 -2.601 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.086 -7.569 -4.233 1.00 0.00 C ATOM 0 H ALA A 87 -0.825 -8.444 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.489 -6.264 -2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.762 -7.051 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.074 -7.187 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.102 -8.637 -4.449 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.108 -9.141 -2.437 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.411 -9.736 -2.177 1.00 0.00 C ATOM 1075 C LYS A 88 -6.006 -9.191 -0.893 1.00 0.00 C ATOM 1076 O LYS A 88 -7.154 -8.779 -0.870 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.321 -11.247 -2.065 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.662 -11.878 -1.761 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.643 -13.368 -1.992 1.00 0.00 C ATOM 1080 CE LYS A 88 -5.667 -14.051 -1.066 1.00 0.00 C ATOM 1081 NZ LYS A 88 -5.557 -15.506 -1.348 1.00 0.00 N ATOM 0 H LYS A 88 -3.339 -9.810 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.050 -9.477 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.932 -11.656 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.611 -11.510 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.934 -11.674 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.429 -11.422 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.642 -13.776 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.372 -13.575 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.686 -13.587 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.984 -13.905 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.877 -15.937 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.487 -15.954 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.230 -15.646 -2.325 1.00 0.00 H new ATOM 1095 N MET A 89 -5.214 -9.206 0.173 1.00 0.00 N ATOM 1096 CA MET A 89 -5.643 -8.684 1.468 1.00 0.00 C ATOM 1097 C MET A 89 -6.183 -7.269 1.318 1.00 0.00 C ATOM 1098 O MET A 89 -7.182 -6.900 1.929 1.00 0.00 O ATOM 1099 CB MET A 89 -4.480 -8.697 2.460 1.00 0.00 C ATOM 1100 CG MET A 89 -3.917 -10.086 2.714 1.00 0.00 C ATOM 1101 SD MET A 89 -2.838 -10.160 4.160 1.00 0.00 S ATOM 1102 CE MET A 89 -1.717 -8.801 3.845 1.00 0.00 C ATOM 0 H MET A 89 -4.264 -9.577 0.166 1.00 0.00 H new ATOM 0 HA MET A 89 -6.438 -9.325 1.850 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.684 -8.054 2.084 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.814 -8.270 3.406 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.741 -10.787 2.847 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.360 -10.412 1.836 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.698 -9.108 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.777 -8.516 2.795 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.992 -7.950 4.469 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.525 -6.500 0.469 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.925 -5.134 0.193 1.00 0.00 C ATOM 1114 C ILE A 90 -7.214 -5.084 -0.637 1.00 0.00 C ATOM 1115 O ILE A 90 -8.079 -4.248 -0.389 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.773 -4.386 -0.508 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.633 -4.191 0.501 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -5.236 -3.049 -1.077 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -2.297 -3.866 -0.124 1.00 0.00 C ATOM 0 H ILE A 90 -4.700 -6.805 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.139 -4.636 1.138 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.421 -4.979 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.904 -3.389 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.531 -5.099 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.397 -2.551 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.029 -3.219 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.613 -2.421 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.549 -3.744 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.999 -4.677 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.378 -2.941 -0.695 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.358 -5.985 -1.602 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.585 -6.065 -2.379 1.00 0.00 C ATOM 1133 C GLN A 91 -9.725 -6.627 -1.525 1.00 0.00 C ATOM 1134 O GLN A 91 -10.896 -6.311 -1.740 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.388 -6.956 -3.607 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.233 -6.561 -4.522 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.336 -5.149 -5.068 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -7.817 -4.241 -4.402 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -6.899 -4.963 -6.302 1.00 0.00 N ATOM 0 H GLN A 91 -6.644 -6.665 -1.863 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.842 -5.057 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.229 -7.980 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.309 -6.952 -4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.297 -6.660 -3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.188 -7.260 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.504 -5.744 -6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.957 -4.039 -6.730 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.360 -7.464 -0.562 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.315 -8.138 0.304 1.00 0.00 C ATOM 1150 C GLU A 92 -10.933 -7.157 1.289 1.00 0.00 C ATOM 1151 O GLU A 92 -12.150 -7.141 1.489 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.609 -9.269 1.052 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.496 -10.023 2.013 1.00 0.00 C ATOM 1154 CD GLU A 92 -11.485 -10.927 1.307 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -11.105 -12.055 0.934 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -12.647 -10.513 1.116 1.00 0.00 O ATOM 0 H GLU A 92 -8.387 -7.695 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.117 -8.553 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.201 -9.971 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.765 -8.854 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.876 -10.621 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.040 -9.311 2.634 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.081 -6.356 1.913 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.530 -5.279 2.802 1.00 0.00 C ATOM 1165 C VAL A 93 -11.164 -4.133 2.002 1.00 0.00 C ATOM 1166 O VAL A 93 -10.808 -2.960 2.152 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.368 -4.737 3.665 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.712 -5.872 4.424 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -8.345 -3.997 2.815 1.00 0.00 C ATOM 0 H VAL A 93 -9.068 -6.428 1.823 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.283 -5.703 3.466 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.778 -4.024 4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.894 -5.480 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.447 -6.349 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.322 -6.605 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.541 -3.628 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.934 -4.676 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.827 -3.156 2.316 1.00 0.00 H new ATOM 1179 N LYS A 94 -12.115 -4.495 1.156 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.799 -3.555 0.285 1.00 0.00 C ATOM 1181 C LYS A 94 -13.190 -2.278 1.023 1.00 0.00 C ATOM 1182 O LYS A 94 -13.649 -2.305 2.162 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.037 -4.223 -0.321 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.938 -4.879 0.714 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.106 -5.604 0.068 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.961 -6.306 1.110 1.00 0.00 C ATOM 1187 NZ LYS A 94 -18.112 -7.016 0.498 1.00 0.00 N ATOM 0 H LYS A 94 -12.436 -5.458 1.054 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.112 -3.270 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.611 -3.477 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -13.718 -4.975 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.356 -5.584 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.316 -4.121 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.717 -4.892 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.732 -6.333 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.348 -7.018 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -17.328 -5.575 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -18.669 -7.481 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -18.712 -6.333 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.763 -7.732 -0.171 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.922 -1.159 0.394 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.399 0.103 0.905 1.00 0.00 C ATOM 1203 C GLY A 95 -12.308 0.959 1.507 1.00 0.00 C ATOM 1204 O GLY A 95 -12.308 2.169 1.327 1.00 0.00 O ATOM 0 H GLY A 95 -12.379 -1.096 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.879 0.655 0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.162 -0.085 1.661 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.346 0.343 2.180 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.411 1.114 2.994 1.00 0.00 C ATOM 1210 C GLU A 96 -9.005 0.526 2.998 1.00 0.00 C ATOM 1211 O GLU A 96 -8.810 -0.687 2.916 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.931 1.186 4.417 1.00 0.00 C ATOM 1213 CG GLU A 96 -11.010 -0.173 5.074 1.00 0.00 C ATOM 1214 CD GLU A 96 -11.413 -0.102 6.527 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -12.629 -0.115 6.813 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -10.516 -0.029 7.394 1.00 0.00 O ATOM 0 H GLU A 96 -11.192 -0.665 2.182 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.341 2.109 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.281 1.833 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.920 1.644 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.727 -0.791 4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.041 -0.666 4.995 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.032 1.407 3.094 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.626 1.012 3.137 1.00 0.00 C ATOM 1225 C VAL A 97 -5.901 1.718 4.282 1.00 0.00 C ATOM 1226 O VAL A 97 -6.234 2.851 4.639 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.877 1.323 1.810 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.672 0.860 0.606 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.556 2.800 1.683 1.00 0.00 C ATOM 0 H VAL A 97 -8.184 2.414 3.145 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.619 -0.067 3.291 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.938 0.770 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.121 1.092 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.833 -0.216 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.635 1.370 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.033 2.979 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.481 3.376 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.923 3.108 2.515 1.00 0.00 H new ATOM 1239 N THR A 98 -4.930 1.036 4.868 1.00 0.00 N ATOM 1240 CA THR A 98 -4.049 1.638 5.854 1.00 0.00 C ATOM 1241 C THR A 98 -2.623 1.140 5.637 1.00 0.00 C ATOM 1242 O THR A 98 -2.316 -0.026 5.888 1.00 0.00 O ATOM 1243 CB THR A 98 -4.496 1.310 7.290 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.862 1.700 7.478 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.618 2.024 8.305 1.00 0.00 C ATOM 0 H THR A 98 -4.731 0.054 4.674 1.00 0.00 H new ATOM 0 HA THR A 98 -4.092 2.720 5.727 1.00 0.00 H new ATOM 0 HB THR A 98 -4.400 0.235 7.441 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.140 1.487 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.952 1.777 9.313 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.583 1.706 8.178 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.688 3.101 8.153 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.759 2.021 5.163 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.404 1.637 4.798 1.00 0.00 C ATOM 1255 C ILE A 99 0.594 2.011 5.876 1.00 0.00 C ATOM 1256 O ILE A 99 0.594 3.138 6.367 1.00 0.00 O ATOM 1257 CB ILE A 99 0.073 2.260 3.461 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.592 3.617 3.170 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.148 1.293 2.308 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -2.008 3.532 2.642 1.00 0.00 C ATOM 0 H ILE A 99 -1.971 3.009 5.021 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.445 0.554 4.680 1.00 0.00 H new ATOM 0 HB ILE A 99 1.142 2.448 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.596 4.207 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.019 4.157 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.194 1.750 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.413 0.376 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.209 1.059 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.392 4.537 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.014 2.973 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.639 3.025 3.372 1.00 0.00 H new ATOM 1272 N HIS A 100 1.430 1.054 6.247 1.00 0.00 N ATOM 1273 CA HIS A 100 2.532 1.306 7.161 1.00 0.00 C ATOM 1274 C HIS A 100 3.844 1.314 6.399 1.00 0.00 C ATOM 1275 O HIS A 100 4.189 0.339 5.725 1.00 0.00 O ATOM 1276 CB HIS A 100 2.581 0.257 8.272 1.00 0.00 C ATOM 1277 CG HIS A 100 1.655 0.543 9.408 1.00 0.00 C ATOM 1278 ND1 HIS A 100 2.075 1.116 10.589 1.00 0.00 N ATOM 1279 CD2 HIS A 100 0.326 0.329 9.548 1.00 0.00 C ATOM 1280 CE1 HIS A 100 1.047 1.238 11.406 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.023 0.769 10.798 1.00 0.00 N ATOM 0 H HIS A 100 1.365 0.088 5.926 1.00 0.00 H new ATOM 0 HA HIS A 100 2.374 2.281 7.622 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.335 -0.718 7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.600 0.191 8.653 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.335 -0.106 8.813 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.077 1.652 12.403 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -0.962 0.738 11.195 1.00 0.00 H new ATOM 1290 N TYR A 101 4.567 2.412 6.506 1.00 0.00 N ATOM 1291 CA TYR A 101 5.814 2.585 5.788 1.00 0.00 C ATOM 1292 C TYR A 101 6.865 3.207 6.698 1.00 0.00 C ATOM 1293 O TYR A 101 6.544 4.015 7.566 1.00 0.00 O ATOM 1294 CB TYR A 101 5.596 3.455 4.543 1.00 0.00 C ATOM 1295 CG TYR A 101 5.007 4.820 4.835 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.631 5.012 4.896 1.00 0.00 C ATOM 1297 CD2 TYR A 101 5.829 5.919 5.046 1.00 0.00 C ATOM 1298 CE1 TYR A 101 3.096 6.259 5.159 1.00 0.00 C ATOM 1299 CE2 TYR A 101 5.301 7.166 5.311 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.936 7.331 5.365 1.00 0.00 C ATOM 1301 OH TYR A 101 3.410 8.575 5.625 1.00 0.00 O ATOM 0 H TYR A 101 4.307 3.206 7.091 1.00 0.00 H new ATOM 0 HA TYR A 101 6.171 1.607 5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.550 3.585 4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.936 2.926 3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.970 4.173 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.901 5.796 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.025 6.392 5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.956 8.009 5.475 1.00 0.00 H new ATOM 0 HH TYR A 101 4.138 9.219 5.747 1.00 0.00 H new ATOM 1311 N ASN A 102 8.112 2.819 6.497 1.00 0.00 N ATOM 1312 CA ASN A 102 9.219 3.310 7.306 1.00 0.00 C ATOM 1313 C ASN A 102 10.352 3.722 6.377 1.00 0.00 C ATOM 1314 O ASN A 102 10.266 3.517 5.166 1.00 0.00 O ATOM 1315 CB ASN A 102 9.715 2.219 8.274 1.00 0.00 C ATOM 1316 CG ASN A 102 8.611 1.620 9.124 1.00 0.00 C ATOM 1317 OD1 ASN A 102 7.673 2.300 9.534 1.00 0.00 O ATOM 1318 ND2 ASN A 102 8.709 0.327 9.377 1.00 0.00 N ATOM 0 H ASN A 102 8.388 2.157 5.772 1.00 0.00 H new ATOM 0 HA ASN A 102 8.882 4.162 7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.193 1.425 7.700 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.477 2.643 8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.991 -0.140 9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 102 9.503 -0.204 9.019 1.00 0.00 H new ATOM 1325 N LYS A 103 11.393 4.324 6.930 1.00 0.00 N ATOM 1326 CA LYS A 103 12.586 4.644 6.154 1.00 0.00 C ATOM 1327 C LYS A 103 13.694 3.630 6.445 1.00 0.00 C ATOM 1328 O LYS A 103 13.647 2.941 7.464 1.00 0.00 O ATOM 1329 CB LYS A 103 13.077 6.069 6.452 1.00 0.00 C ATOM 1330 CG LYS A 103 12.454 7.158 5.584 1.00 0.00 C ATOM 1331 CD LYS A 103 10.958 7.309 5.806 1.00 0.00 C ATOM 1332 CE LYS A 103 10.168 6.885 4.580 1.00 0.00 C ATOM 1333 NZ LYS A 103 8.725 7.198 4.717 1.00 0.00 N ATOM 0 H LYS A 103 11.439 4.601 7.911 1.00 0.00 H new ATOM 0 HA LYS A 103 12.325 4.592 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.872 6.297 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 103 14.159 6.099 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 103 12.945 8.108 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 103 12.639 6.929 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.654 6.707 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.728 8.347 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.567 7.388 3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.294 5.814 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.189 6.691 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.393 6.901 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.580 8.222 4.607 1.00 0.00 H new ATOM 1347 N LEU A 104 14.678 3.575 5.541 1.00 0.00 N ATOM 1348 CA LEU A 104 15.815 2.634 5.586 1.00 0.00 C ATOM 1349 C LEU A 104 15.492 1.287 6.244 1.00 0.00 C ATOM 1350 O LEU A 104 16.150 0.860 7.191 1.00 0.00 O ATOM 1351 CB LEU A 104 17.126 3.262 6.157 1.00 0.00 C ATOM 1352 CG LEU A 104 17.108 4.054 7.494 1.00 0.00 C ATOM 1353 CD1 LEU A 104 16.289 5.325 7.393 1.00 0.00 C ATOM 1354 CD2 LEU A 104 16.625 3.204 8.657 1.00 0.00 C ATOM 0 H LEU A 104 14.711 4.198 4.734 1.00 0.00 H new ATOM 0 HA LEU A 104 16.009 2.413 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.846 2.452 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 104 17.521 3.931 5.393 1.00 0.00 H new ATOM 0 HG LEU A 104 18.142 4.335 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 104 16.305 5.845 8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.712 5.970 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.260 5.075 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.630 3.800 9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.612 2.855 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 104 17.286 2.346 8.780 1.00 0.00 H new ATOM 1366 N GLN A 105 14.507 0.585 5.699 1.00 0.00 N ATOM 1367 CA GLN A 105 14.161 -0.741 6.199 1.00 0.00 C ATOM 1368 C GLN A 105 15.136 -1.778 5.631 1.00 0.00 C ATOM 1369 O GLN A 105 14.747 -2.786 5.033 1.00 0.00 O ATOM 1370 CB GLN A 105 12.712 -1.090 5.852 1.00 0.00 C ATOM 1371 CG GLN A 105 12.191 -2.332 6.558 1.00 0.00 C ATOM 1372 CD GLN A 105 10.725 -2.603 6.276 1.00 0.00 C ATOM 1373 OE1 GLN A 105 10.256 -2.205 5.103 1.00 0.00 O flip ATOM 1374 NE2 GLN A 105 10.019 -3.170 7.107 1.00 0.00 N flip ATOM 0 H GLN A 105 13.937 0.907 4.917 1.00 0.00 H new ATOM 0 HA GLN A 105 14.246 -0.746 7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 105 12.074 -0.244 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.632 -1.236 4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 105 12.781 -3.194 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 105 12.334 -2.219 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.417 -3.462 8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.036 -3.349 6.904 1.00 0.00 H new ATOM 1383 N ALA A 106 16.409 -1.489 5.823 1.00 0.00 N ATOM 1384 CA ALA A 106 17.501 -2.333 5.380 1.00 0.00 C ATOM 1385 C ALA A 106 18.683 -2.098 6.304 1.00 0.00 C ATOM 1386 O ALA A 106 18.597 -1.270 7.208 1.00 0.00 O ATOM 1387 CB ALA A 106 17.872 -2.019 3.936 1.00 0.00 C ATOM 0 H ALA A 106 16.719 -0.643 6.301 1.00 0.00 H new ATOM 0 HA ALA A 106 17.203 -3.381 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 106 18.694 -2.663 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 106 17.009 -2.193 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 106 18.179 -0.976 3.858 1.00 0.00 H new ATOM 1393 N ASP A 107 19.784 -2.793 6.080 1.00 0.00 N ATOM 1394 CA ASP A 107 20.926 -2.689 6.981 1.00 0.00 C ATOM 1395 C ASP A 107 22.170 -2.530 6.149 1.00 0.00 C ATOM 1396 O ASP A 107 22.159 -2.956 5.010 1.00 0.00 O ATOM 1397 CB ASP A 107 21.048 -3.934 7.870 1.00 0.00 C ATOM 1398 CG ASP A 107 19.820 -4.174 8.724 1.00 0.00 C ATOM 1399 OD1 ASP A 107 19.584 -3.406 9.678 1.00 0.00 O ATOM 1400 OD2 ASP A 107 19.081 -5.138 8.442 1.00 0.00 O ATOM 0 H ASP A 107 19.915 -3.429 5.293 1.00 0.00 H new ATOM 0 HA ASP A 107 20.790 -1.828 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 107 21.223 -4.807 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 107 21.919 -3.828 8.517 1.00 0.00 H new ATOM 1405 N PRO A 108 23.246 -1.925 6.691 1.00 0.00 N ATOM 1406 CA PRO A 108 24.496 -1.671 5.960 1.00 0.00 C ATOM 1407 C PRO A 108 24.821 -2.732 4.908 1.00 0.00 C ATOM 1408 O PRO A 108 25.115 -2.409 3.758 1.00 0.00 O ATOM 1409 CB PRO A 108 25.521 -1.696 7.083 1.00 0.00 C ATOM 1410 CG PRO A 108 24.807 -1.083 8.242 1.00 0.00 C ATOM 1411 CD PRO A 108 23.345 -1.435 8.082 1.00 0.00 C ATOM 0 HA PRO A 108 24.458 -0.745 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 108 25.843 -2.713 7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 108 26.414 -1.129 6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 108 25.197 -1.467 9.185 1.00 0.00 H new ATOM 0 HG3 PRO A 108 24.946 -0.002 8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 108 23.038 -2.198 8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 108 22.705 -0.568 8.246 1.00 0.00 H new ATOM 1419 N LYS A 109 24.734 -3.993 5.315 1.00 0.00 N ATOM 1420 CA LYS A 109 24.984 -5.131 4.430 1.00 0.00 C ATOM 1421 C LYS A 109 24.050 -5.152 3.217 1.00 0.00 C ATOM 1422 O LYS A 109 24.495 -5.302 2.085 1.00 0.00 O ATOM 1423 CB LYS A 109 24.822 -6.442 5.204 1.00 0.00 C ATOM 1424 CG LYS A 109 23.456 -6.610 5.859 1.00 0.00 C ATOM 1425 CD LYS A 109 23.265 -7.995 6.466 1.00 0.00 C ATOM 1426 CE LYS A 109 24.071 -8.199 7.744 1.00 0.00 C ATOM 1427 NZ LYS A 109 25.506 -8.500 7.487 1.00 0.00 N ATOM 0 H LYS A 109 24.488 -4.259 6.269 1.00 0.00 H new ATOM 0 HA LYS A 109 26.005 -5.025 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 109 24.993 -7.277 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 109 25.592 -6.495 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 109 23.335 -5.856 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 109 22.677 -6.431 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 109 22.208 -8.149 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 109 23.555 -8.750 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 109 23.998 -7.302 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 109 23.632 -9.015 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 25.809 -9.289 8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 25.632 -8.762 6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 26.081 -7.660 7.700 1.00 0.00 H new ATOM 1441 N GLN A 110 22.763 -5.010 3.471 1.00 0.00 N ATOM 1442 CA GLN A 110 21.742 -5.112 2.449 1.00 0.00 C ATOM 1443 C GLN A 110 21.483 -3.766 1.803 1.00 0.00 C ATOM 1444 O GLN A 110 20.901 -3.674 0.724 1.00 0.00 O ATOM 1445 CB GLN A 110 20.468 -5.652 3.075 1.00 0.00 C ATOM 1446 CG GLN A 110 20.512 -7.135 3.359 1.00 0.00 C ATOM 1447 CD GLN A 110 20.672 -7.970 2.102 1.00 0.00 C ATOM 1448 OE1 GLN A 110 19.692 -8.364 1.476 1.00 0.00 O ATOM 1449 NE2 GLN A 110 21.909 -8.250 1.724 1.00 0.00 N ATOM 0 H GLN A 110 22.395 -4.819 4.403 1.00 0.00 H new ATOM 0 HA GLN A 110 22.086 -5.792 1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 110 20.277 -5.118 4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 110 19.630 -5.443 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 110 21.339 -7.346 4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.596 -7.430 3.871 1.00 0.00 H new ATOM 0 HE21 GLN A 110 22.699 -7.905 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 110 22.072 -8.810 0.887 1.00 0.00 H new ATOM 1458 N LEU A 111 21.949 -2.729 2.465 1.00 0.00 N ATOM 1459 CA LEU A 111 21.719 -1.376 2.034 1.00 0.00 C ATOM 1460 C LEU A 111 22.678 -1.048 0.897 1.00 0.00 C ATOM 1461 O LEU A 111 22.300 -0.402 -0.074 1.00 0.00 O ATOM 1462 CB LEU A 111 21.891 -0.430 3.235 1.00 0.00 C ATOM 1463 CG LEU A 111 21.593 1.061 3.002 1.00 0.00 C ATOM 1464 CD1 LEU A 111 22.743 1.746 2.282 1.00 0.00 C ATOM 1465 CD2 LEU A 111 20.294 1.236 2.223 1.00 0.00 C ATOM 0 H LEU A 111 22.500 -2.806 3.320 1.00 0.00 H new ATOM 0 HA LEU A 111 20.704 -1.252 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 111 21.244 -0.783 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 111 22.918 -0.518 3.590 1.00 0.00 H new ATOM 0 HG LEU A 111 21.478 1.534 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 111 22.503 2.799 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 111 23.649 1.663 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 111 22.903 1.269 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 111 20.102 2.298 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 111 20.379 0.739 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 111 19.470 0.796 2.785 1.00 0.00 H new ATOM 1477 N GLU A 112 23.916 -1.525 1.014 1.00 0.00 N ATOM 1478 CA GLU A 112 24.901 -1.355 -0.050 1.00 0.00 C ATOM 1479 C GLU A 112 24.510 -2.198 -1.260 1.00 0.00 C ATOM 1480 O GLU A 112 24.774 -1.830 -2.406 1.00 0.00 O ATOM 1481 CB GLU A 112 26.292 -1.752 0.437 1.00 0.00 C ATOM 1482 CG GLU A 112 26.335 -3.149 1.020 1.00 0.00 C ATOM 1483 CD GLU A 112 27.742 -3.654 1.252 1.00 0.00 C ATOM 1484 OE1 GLU A 112 28.346 -4.207 0.309 1.00 0.00 O ATOM 1485 OE2 GLU A 112 28.256 -3.496 2.377 1.00 0.00 O ATOM 0 H GLU A 112 24.259 -2.030 1.831 1.00 0.00 H new ATOM 0 HA GLU A 112 24.923 -0.304 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.994 -1.689 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 112 26.625 -1.039 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.792 -3.158 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.817 -3.833 0.348 1.00 0.00 H new ATOM 1492 N VAL A 113 23.869 -3.328 -0.988 1.00 0.00 N ATOM 1493 CA VAL A 113 23.339 -4.187 -2.034 1.00 0.00 C ATOM 1494 C VAL A 113 22.286 -3.434 -2.844 1.00 0.00 C ATOM 1495 O VAL A 113 22.248 -3.515 -4.072 1.00 0.00 O ATOM 1496 CB VAL A 113 22.728 -5.470 -1.430 1.00 0.00 C ATOM 1497 CG1 VAL A 113 22.050 -6.316 -2.490 1.00 0.00 C ATOM 1498 CG2 VAL A 113 23.796 -6.281 -0.718 1.00 0.00 C ATOM 0 H VAL A 113 23.704 -3.671 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 113 24.158 -4.475 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 113 21.970 -5.166 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 113 21.632 -7.211 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 113 21.251 -5.741 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 113 22.780 -6.605 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 113 23.349 -7.182 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 113 24.575 -6.559 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 113 24.232 -5.685 0.084 1.00 0.00 H new ATOM 1508 N LEU A 114 21.457 -2.680 -2.141 1.00 0.00 N ATOM 1509 CA LEU A 114 20.455 -1.837 -2.772 1.00 0.00 C ATOM 1510 C LEU A 114 21.095 -0.583 -3.362 1.00 0.00 C ATOM 1511 O LEU A 114 20.540 0.050 -4.265 1.00 0.00 O ATOM 1512 CB LEU A 114 19.401 -1.433 -1.742 1.00 0.00 C ATOM 1513 CG LEU A 114 18.508 -2.565 -1.227 1.00 0.00 C ATOM 1514 CD1 LEU A 114 17.632 -2.077 -0.084 1.00 0.00 C ATOM 1515 CD2 LEU A 114 17.647 -3.118 -2.352 1.00 0.00 C ATOM 0 H LEU A 114 21.459 -2.635 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 114 19.987 -2.402 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 114 19.907 -0.978 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 114 18.765 -0.665 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 114 19.149 -3.364 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 114 17.005 -2.896 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 114 18.262 -1.725 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 114 17.000 -1.260 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 114 17.019 -3.922 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 114 17.016 -2.324 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 114 18.288 -3.505 -3.144 1.00 0.00 H new ATOM 1527 N PHE A 115 22.262 -0.231 -2.839 1.00 0.00 N ATOM 1528 CA PHE A 115 22.945 0.999 -3.225 1.00 0.00 C ATOM 1529 C PHE A 115 23.411 0.958 -4.674 1.00 0.00 C ATOM 1530 O PHE A 115 23.096 1.855 -5.456 1.00 0.00 O ATOM 1531 CB PHE A 115 24.143 1.236 -2.307 1.00 0.00 C ATOM 1532 CG PHE A 115 24.953 2.450 -2.663 1.00 0.00 C ATOM 1533 CD1 PHE A 115 24.418 3.721 -2.539 1.00 0.00 C ATOM 1534 CD2 PHE A 115 26.254 2.316 -3.122 1.00 0.00 C ATOM 1535 CE1 PHE A 115 25.165 4.835 -2.870 1.00 0.00 C ATOM 1536 CE2 PHE A 115 27.004 3.425 -3.452 1.00 0.00 C ATOM 1537 CZ PHE A 115 26.459 4.686 -3.327 1.00 0.00 C ATOM 0 H PHE A 115 22.759 -0.784 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 115 22.232 1.818 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 115 23.788 1.336 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 115 24.789 0.359 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 115 23.407 3.843 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 115 26.685 1.331 -3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 115 24.737 5.822 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 115 28.017 3.306 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 115 27.044 5.556 -3.586 1.00 0.00 H new ATOM 1547 N GLN A 116 24.140 -0.083 -5.036 1.00 0.00 N ATOM 1548 CA GLN A 116 24.647 -0.199 -6.394 1.00 0.00 C ATOM 1549 C GLN A 116 23.831 -1.210 -7.178 1.00 0.00 C ATOM 1550 O GLN A 116 23.201 -0.875 -8.179 1.00 0.00 O ATOM 1551 CB GLN A 116 26.124 -0.602 -6.400 1.00 0.00 C ATOM 1552 CG GLN A 116 26.710 -0.721 -7.800 1.00 0.00 C ATOM 1553 CD GLN A 116 28.155 -1.187 -7.811 1.00 0.00 C ATOM 1554 OE1 GLN A 116 28.902 -0.848 -6.775 1.00 0.00 O flip ATOM 1555 NE2 GLN A 116 28.600 -1.845 -8.751 1.00 0.00 N flip ATOM 0 H GLN A 116 24.393 -0.853 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 116 24.557 0.778 -6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 116 26.697 0.134 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 116 26.235 -1.556 -5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 116 26.106 -1.419 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 116 26.644 0.247 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 116 27.994 -2.089 -9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 116 29.574 -2.147 -8.746 1.00 0.00 H new ATOM 1564 N GLY A 117 23.838 -2.443 -6.706 1.00 0.00 N ATOM 1565 CA GLY A 117 23.133 -3.503 -7.386 1.00 0.00 C ATOM 1566 C GLY A 117 24.082 -4.589 -7.827 1.00 0.00 C ATOM 1567 O GLY A 117 24.176 -4.886 -9.018 1.00 0.00 O ATOM 0 H GLY A 117 24.324 -2.730 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 117 22.376 -3.924 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 117 22.610 -3.099 -8.253 1.00 0.00 H new ATOM 1571 N PRO A 118 24.811 -5.193 -6.872 1.00 0.00 N ATOM 1572 CA PRO A 118 25.830 -6.203 -7.150 1.00 0.00 C ATOM 1573 C PRO A 118 25.310 -7.351 -8.014 1.00 0.00 C ATOM 1574 O PRO A 118 26.001 -7.830 -8.915 1.00 0.00 O ATOM 1575 CB PRO A 118 26.219 -6.716 -5.755 1.00 0.00 C ATOM 1576 CG PRO A 118 25.149 -6.233 -4.846 1.00 0.00 C ATOM 1577 CD PRO A 118 24.718 -4.934 -5.432 1.00 0.00 C ATOM 0 HA PRO A 118 26.663 -5.785 -7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 118 26.286 -7.804 -5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 118 27.194 -6.333 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 118 24.321 -6.940 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 118 25.520 -6.106 -3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 118 23.704 -4.669 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 118 25.367 -4.114 -5.124 1.00 0.00 H new ATOM 1585 N GLN A 119 24.086 -7.780 -7.739 1.00 0.00 N ATOM 1586 CA GLN A 119 23.477 -8.878 -8.470 1.00 0.00 C ATOM 1587 C GLN A 119 21.958 -8.767 -8.433 1.00 0.00 C ATOM 1588 O GLN A 119 21.376 -8.476 -7.391 1.00 0.00 O ATOM 1589 CB GLN A 119 23.917 -10.219 -7.877 1.00 0.00 C ATOM 1590 CG GLN A 119 23.638 -10.349 -6.388 1.00 0.00 C ATOM 1591 CD GLN A 119 24.057 -11.692 -5.831 1.00 0.00 C ATOM 1592 OE1 GLN A 119 25.189 -11.865 -5.381 1.00 0.00 O ATOM 1593 NE2 GLN A 119 23.149 -12.651 -5.858 1.00 0.00 N ATOM 0 H GLN A 119 23.494 -7.381 -7.011 1.00 0.00 H new ATOM 0 HA GLN A 119 23.806 -8.824 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 119 23.407 -11.025 -8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 119 24.985 -10.350 -8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 119 24.164 -9.558 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.573 -10.202 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 119 22.222 -12.465 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 119 23.375 -13.578 -5.497 1.00 0.00 H new ATOM 1602 N PHE A 120 21.324 -8.977 -9.575 1.00 0.00 N ATOM 1603 CA PHE A 120 19.873 -8.978 -9.656 1.00 0.00 C ATOM 1604 C PHE A 120 19.422 -9.950 -10.735 1.00 0.00 C ATOM 1605 O PHE A 120 20.170 -10.232 -11.669 1.00 0.00 O ATOM 1606 CB PHE A 120 19.331 -7.565 -9.930 1.00 0.00 C ATOM 1607 CG PHE A 120 19.862 -6.924 -11.186 1.00 0.00 C ATOM 1608 CD1 PHE A 120 21.034 -6.184 -11.159 1.00 0.00 C ATOM 1609 CD2 PHE A 120 19.187 -7.056 -12.389 1.00 0.00 C ATOM 1610 CE1 PHE A 120 21.523 -5.592 -12.307 1.00 0.00 C ATOM 1611 CE2 PHE A 120 19.670 -6.465 -13.541 1.00 0.00 C ATOM 1612 CZ PHE A 120 20.839 -5.732 -13.499 1.00 0.00 C ATOM 0 H PHE A 120 21.795 -9.150 -10.463 1.00 0.00 H new ATOM 0 HA PHE A 120 19.470 -9.301 -8.696 1.00 0.00 H new ATOM 0 HB2 PHE A 120 18.244 -7.613 -9.993 1.00 0.00 H new ATOM 0 HB3 PHE A 120 19.573 -6.926 -9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 120 21.571 -6.069 -10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 120 18.272 -7.628 -12.427 1.00 0.00 H new ATOM 0 HE1 PHE A 120 22.439 -5.020 -12.273 1.00 0.00 H new ATOM 0 HE2 PHE A 120 19.134 -6.576 -14.472 1.00 0.00 H new ATOM 0 HZ PHE A 120 21.219 -5.268 -14.397 1.00 0.00 H new ATOM 1622 N THR A 121 18.212 -10.466 -10.605 1.00 0.00 N ATOM 1623 CA THR A 121 17.711 -11.461 -11.542 1.00 0.00 C ATOM 1624 C THR A 121 16.200 -11.624 -11.411 1.00 0.00 C ATOM 1625 O THR A 121 15.503 -11.856 -12.400 1.00 0.00 O ATOM 1626 CB THR A 121 18.418 -12.828 -11.341 1.00 0.00 C ATOM 1627 OG1 THR A 121 17.870 -13.821 -12.221 1.00 0.00 O ATOM 1628 CG2 THR A 121 18.297 -13.310 -9.900 1.00 0.00 C ATOM 0 H THR A 121 17.559 -10.215 -9.863 1.00 0.00 H new ATOM 0 HA THR A 121 17.934 -11.105 -12.548 1.00 0.00 H new ATOM 0 HB THR A 121 19.473 -12.682 -11.574 1.00 0.00 H new ATOM 0 HG1 THR A 121 18.331 -14.674 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 121 18.803 -14.270 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 121 18.757 -12.581 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 121 17.244 -13.424 -9.642 1.00 0.00 H new ATOM 1636 N LEU A 122 15.695 -11.483 -10.193 1.00 0.00 N ATOM 1637 CA LEU A 122 14.278 -11.665 -9.933 1.00 0.00 C ATOM 1638 C LEU A 122 13.594 -10.316 -9.733 1.00 0.00 C ATOM 1639 O LEU A 122 13.743 -9.685 -8.686 1.00 0.00 O ATOM 1640 CB LEU A 122 14.085 -12.545 -8.696 1.00 0.00 C ATOM 1641 CG LEU A 122 12.641 -12.936 -8.389 1.00 0.00 C ATOM 1642 CD1 LEU A 122 12.078 -13.812 -9.498 1.00 0.00 C ATOM 1643 CD2 LEU A 122 12.562 -13.653 -7.052 1.00 0.00 C ATOM 0 H LEU A 122 16.248 -11.243 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 122 13.824 -12.157 -10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 122 14.671 -13.455 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 122 14.494 -12.022 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 122 12.041 -12.028 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.048 -14.081 -9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 122 12.104 -13.266 -10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 122 12.678 -14.718 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 122 11.527 -13.926 -6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.175 -14.554 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 122 12.927 -12.995 -6.264 1.00 0.00 H new ATOM 1655 N ARG A 123 12.856 -9.875 -10.740 1.00 0.00 N ATOM 1656 CA ARG A 123 12.156 -8.602 -10.666 1.00 0.00 C ATOM 1657 C ARG A 123 10.691 -8.768 -11.070 1.00 0.00 C ATOM 1658 O ARG A 123 10.340 -8.629 -12.241 1.00 0.00 O ATOM 1659 CB ARG A 123 12.834 -7.561 -11.564 1.00 0.00 C ATOM 1660 CG ARG A 123 12.234 -6.165 -11.440 1.00 0.00 C ATOM 1661 CD ARG A 123 12.787 -5.215 -12.494 1.00 0.00 C ATOM 1662 NE ARG A 123 14.224 -4.980 -12.341 1.00 0.00 N ATOM 1663 CZ ARG A 123 14.981 -4.381 -13.263 1.00 0.00 C ATOM 1664 NH1 ARG A 123 14.440 -3.962 -14.402 1.00 0.00 N ATOM 1665 NH2 ARG A 123 16.277 -4.203 -13.043 1.00 0.00 N ATOM 0 H ARG A 123 12.726 -10.379 -11.617 1.00 0.00 H new ATOM 0 HA ARG A 123 12.196 -8.253 -9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.894 -7.515 -11.316 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.763 -7.887 -12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.150 -6.225 -11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.442 -5.767 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.593 -5.625 -13.485 1.00 0.00 H new ATOM 0 HD3 ARG A 123 12.258 -4.264 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 123 14.673 -5.292 -11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 123 13.444 -4.098 -14.574 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.021 -3.505 -15.105 1.00 0.00 H new ATOM 0 HH21 ARG A 123 16.695 -4.524 -12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 123 16.856 -3.745 -13.747 1.00 0.00 H new ATOM 1679 N HIS A 124 9.847 -9.088 -10.099 1.00 0.00 N ATOM 1680 CA HIS A 124 8.405 -9.144 -10.319 1.00 0.00 C ATOM 1681 C HIS A 124 7.684 -8.734 -9.039 1.00 0.00 C ATOM 1682 O HIS A 124 7.886 -9.328 -7.979 1.00 0.00 O ATOM 1683 CB HIS A 124 7.948 -10.538 -10.796 1.00 0.00 C ATOM 1684 CG HIS A 124 8.016 -11.628 -9.763 1.00 0.00 C ATOM 1685 ND1 HIS A 124 6.909 -12.337 -9.345 1.00 0.00 N ATOM 1686 CD2 HIS A 124 9.064 -12.138 -9.079 1.00 0.00 C ATOM 1687 CE1 HIS A 124 7.275 -13.230 -8.446 1.00 0.00 C ATOM 1688 NE2 HIS A 124 8.578 -13.133 -8.266 1.00 0.00 N ATOM 0 H HIS A 124 10.136 -9.314 -9.147 1.00 0.00 H new ATOM 0 HA HIS A 124 8.149 -8.446 -11.116 1.00 0.00 H new ATOM 0 HB2 HIS A 124 6.921 -10.462 -11.153 1.00 0.00 H new ATOM 0 HB3 HIS A 124 8.561 -10.830 -11.649 1.00 0.00 H new ATOM 0 HD2 HIS A 124 10.094 -11.822 -9.157 1.00 0.00 H new ATOM 0 HE1 HIS A 124 6.618 -13.924 -7.942 1.00 0.00 H new ATOM 0 HE2 HIS A 124 9.133 -13.703 -7.628 1.00 0.00 H new ATOM 1697 N TRP A 125 6.867 -7.704 -9.136 1.00 0.00 N ATOM 1698 CA TRP A 125 6.218 -7.134 -7.965 1.00 0.00 C ATOM 1699 C TRP A 125 4.710 -7.354 -7.997 1.00 0.00 C ATOM 1700 O TRP A 125 4.175 -7.958 -8.927 1.00 0.00 O ATOM 1701 CB TRP A 125 6.538 -5.638 -7.865 1.00 0.00 C ATOM 1702 CG TRP A 125 6.331 -4.883 -9.145 1.00 0.00 C ATOM 1703 CD1 TRP A 125 5.141 -4.589 -9.747 1.00 0.00 C ATOM 1704 CD2 TRP A 125 7.351 -4.317 -9.976 1.00 0.00 C ATOM 1705 NE1 TRP A 125 5.359 -3.877 -10.901 1.00 0.00 N ATOM 1706 CE2 TRP A 125 6.707 -3.695 -11.063 1.00 0.00 C ATOM 1707 CE3 TRP A 125 8.746 -4.275 -9.907 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 7.412 -3.042 -12.071 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 9.443 -3.626 -10.907 1.00 0.00 C ATOM 1710 CH2 TRP A 125 8.776 -3.016 -11.976 1.00 0.00 C ATOM 0 H TRP A 125 6.634 -7.241 -10.015 1.00 0.00 H new ATOM 0 HA TRP A 125 6.606 -7.644 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 125 5.914 -5.195 -7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 125 7.574 -5.519 -7.548 1.00 0.00 H new ATOM 0 HD1 TRP A 125 4.170 -4.875 -9.370 1.00 0.00 H new ATOM 0 HE1 TRP A 125 4.635 -3.539 -11.535 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.270 -4.742 -9.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 6.900 -2.573 -12.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.521 -3.588 -10.864 1.00 0.00 H new ATOM 0 HH2 TRP A 125 9.350 -2.515 -12.741 1.00 0.00 H new ATOM 1721 N LEU A 126 4.041 -6.881 -6.956 1.00 0.00 N ATOM 1722 CA LEU A 126 2.591 -6.931 -6.888 1.00 0.00 C ATOM 1723 C LEU A 126 2.024 -5.600 -7.355 1.00 0.00 C ATOM 1724 O LEU A 126 2.755 -4.623 -7.493 1.00 0.00 O ATOM 1725 CB LEU A 126 2.125 -7.241 -5.462 1.00 0.00 C ATOM 1726 CG LEU A 126 2.348 -6.126 -4.446 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.071 -5.334 -4.206 1.00 0.00 C ATOM 1728 CD2 LEU A 126 2.875 -6.700 -3.149 1.00 0.00 C ATOM 0 H LEU A 126 4.485 -6.456 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 126 2.229 -7.728 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.061 -7.478 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.643 -8.135 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 126 3.090 -5.439 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.263 -4.547 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.738 -4.888 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.296 -6.000 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.030 -5.895 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.154 -7.411 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.821 -7.209 -3.334 1.00 0.00 H new ATOM 1740 N LYS A 127 0.727 -5.566 -7.567 1.00 0.00 N ATOM 1741 CA LYS A 127 0.066 -4.415 -8.157 1.00 0.00 C ATOM 1742 C LYS A 127 -1.281 -4.188 -7.494 1.00 0.00 C ATOM 1743 O LYS A 127 -2.278 -4.790 -7.893 1.00 0.00 O ATOM 1744 CB LYS A 127 -0.160 -4.638 -9.656 1.00 0.00 C ATOM 1745 CG LYS A 127 1.103 -4.918 -10.449 1.00 0.00 C ATOM 1746 CD LYS A 127 0.804 -5.248 -11.910 1.00 0.00 C ATOM 1747 CE LYS A 127 0.111 -4.102 -12.644 1.00 0.00 C ATOM 1748 NZ LYS A 127 -1.369 -4.109 -12.460 1.00 0.00 N ATOM 0 H LYS A 127 0.097 -6.334 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 127 0.705 -3.545 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.848 -5.473 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.647 -3.756 -10.072 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.760 -4.050 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.640 -5.750 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.736 -5.491 -12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.174 -6.137 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.512 -3.153 -12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.341 -4.166 -13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.835 -4.082 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.652 -4.974 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.654 -3.276 -11.906 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.320 -3.338 -6.487 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.574 -2.994 -5.872 1.00 0.00 C ATOM 1764 C VAL A 128 -2.666 -1.473 -5.727 1.00 0.00 C ATOM 1765 O VAL A 128 -3.008 -0.818 -6.718 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.806 -3.745 -4.535 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.827 -3.340 -3.457 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.238 -3.570 -4.086 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.373 -0.929 -4.663 1.00 0.00 O ATOM 0 H VAL A 128 -0.503 -2.880 -6.084 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.385 -3.325 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.622 -4.804 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.038 -3.898 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.811 -3.557 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.924 -2.272 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.392 -4.101 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.447 -2.510 -3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.909 -3.973 -4.845 1.00 0.00 H new TER 1779 VAL A 128