USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 75 ASN :FLIP amide:sc= 1.13 F(o=-4.6,f=-0.085) USER MOD Set 1.2: A 94 SER OG : rot 37:sc= -1.22! USER MOD Single : A 16 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 18 THR OG1 : rot -61:sc= 0.137! USER MOD Single : A 23 HIS : no HE2:sc= -2.39 K(o=-2.4,f=-4.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -121:sc= 1.08 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 15:sc= -1.07 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= -0.164 (180deg=-0.913) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.037) USER MOD Single : A 79 THR OG1 : rot 155:sc= -0.805 USER MOD Single : A 84 CYS SG : rot 107:sc= 0.468 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.33 K(o=-0.33,f=-2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -1.06 USER MOD Single : A 105 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -7.536 -13.091 -13.451 1.00 0.00 N ATOM 2 CA SER A 16 -8.857 -13.029 -12.765 1.00 0.00 C ATOM 3 C SER A 16 -9.314 -14.414 -12.306 1.00 0.00 C ATOM 4 O SER A 16 -9.649 -14.607 -11.136 1.00 0.00 O ATOM 5 CB SER A 16 -9.887 -12.422 -13.723 1.00 0.00 C ATOM 6 OG SER A 16 -10.143 -11.065 -13.405 1.00 0.00 O ATOM 0 HA SER A 16 -8.761 -12.405 -11.876 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.523 -12.496 -14.748 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.815 -12.992 -13.673 1.00 0.00 H new ATOM 0 HG SER A 16 -10.802 -10.701 -14.032 1.00 0.00 H new ATOM 14 N PRO A 17 -9.333 -15.399 -13.221 1.00 0.00 N ATOM 15 CA PRO A 17 -9.751 -16.767 -12.895 1.00 0.00 C ATOM 16 C PRO A 17 -9.032 -17.319 -11.669 1.00 0.00 C ATOM 17 O PRO A 17 -9.595 -18.109 -10.912 1.00 0.00 O ATOM 18 CB PRO A 17 -9.364 -17.563 -14.143 1.00 0.00 C ATOM 19 CG PRO A 17 -9.383 -16.566 -15.248 1.00 0.00 C ATOM 20 CD PRO A 17 -8.948 -15.260 -14.638 1.00 0.00 C ATOM 0 HA PRO A 17 -10.812 -16.820 -12.649 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.378 -18.015 -14.034 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.068 -18.374 -14.329 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.711 -16.863 -16.053 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.380 -16.482 -15.680 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.875 -15.102 -14.749 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.445 -14.412 -15.108 1.00 0.00 H new ATOM 28 N THR A 18 -7.787 -16.894 -11.477 1.00 0.00 N ATOM 29 CA THR A 18 -6.990 -17.341 -10.344 1.00 0.00 C ATOM 30 C THR A 18 -5.712 -16.514 -10.203 1.00 0.00 C ATOM 31 O THR A 18 -5.430 -15.982 -9.128 1.00 0.00 O ATOM 32 CB THR A 18 -6.634 -18.822 -10.478 1.00 0.00 C ATOM 33 OG1 THR A 18 -7.582 -19.507 -11.278 1.00 0.00 O ATOM 34 CG2 THR A 18 -6.554 -19.537 -9.146 1.00 0.00 C ATOM 0 H THR A 18 -7.309 -16.238 -12.095 1.00 0.00 H new ATOM 0 HA THR A 18 -7.594 -17.201 -9.447 1.00 0.00 H new ATOM 0 HB THR A 18 -5.649 -18.837 -10.945 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.466 -19.449 -10.860 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.298 -20.584 -9.310 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.789 -19.069 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.518 -19.474 -8.641 1.00 0.00 H new ATOM 42 N PRO A 19 -4.910 -16.395 -11.281 1.00 0.00 N ATOM 43 CA PRO A 19 -3.659 -15.630 -11.245 1.00 0.00 C ATOM 44 C PRO A 19 -3.867 -14.201 -10.753 1.00 0.00 C ATOM 45 O PRO A 19 -4.619 -13.430 -11.352 1.00 0.00 O ATOM 46 CB PRO A 19 -3.191 -15.634 -12.701 1.00 0.00 C ATOM 47 CG PRO A 19 -3.820 -16.848 -13.293 1.00 0.00 C ATOM 48 CD PRO A 19 -5.150 -16.991 -12.610 1.00 0.00 C ATOM 0 HA PRO A 19 -2.937 -16.066 -10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.507 -14.730 -13.222 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.104 -15.678 -12.768 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.943 -16.739 -14.371 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.200 -17.729 -13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.939 -16.467 -13.150 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.454 -18.035 -12.535 1.00 0.00 H new ATOM 56 N VAL A 20 -3.193 -13.856 -9.659 1.00 0.00 N ATOM 57 CA VAL A 20 -3.294 -12.520 -9.075 1.00 0.00 C ATOM 58 C VAL A 20 -3.227 -11.433 -10.143 1.00 0.00 C ATOM 59 O VAL A 20 -2.766 -11.670 -11.259 1.00 0.00 O ATOM 60 CB VAL A 20 -2.173 -12.273 -8.049 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.308 -13.219 -6.867 1.00 0.00 C ATOM 62 CG2 VAL A 20 -0.808 -12.419 -8.707 1.00 0.00 C ATOM 0 H VAL A 20 -2.568 -14.486 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.262 -12.473 -8.576 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.266 -11.253 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.506 -13.027 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.271 -13.060 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.244 -14.249 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.027 -12.241 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.704 -13.427 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.714 -11.694 -9.515 1.00 0.00 H new ATOM 72 N GLU A 21 -3.687 -10.237 -9.790 1.00 0.00 N ATOM 73 CA GLU A 21 -3.676 -9.111 -10.714 1.00 0.00 C ATOM 74 C GLU A 21 -2.845 -7.963 -10.151 1.00 0.00 C ATOM 75 O GLU A 21 -3.109 -7.472 -9.054 1.00 0.00 O ATOM 76 CB GLU A 21 -5.104 -8.636 -10.992 1.00 0.00 C ATOM 77 CG GLU A 21 -5.942 -9.646 -11.759 1.00 0.00 C ATOM 78 CD GLU A 21 -5.656 -9.628 -13.248 1.00 0.00 C ATOM 79 OE1 GLU A 21 -4.466 -9.677 -13.626 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.622 -9.564 -14.038 1.00 0.00 O ATOM 0 H GLU A 21 -4.072 -10.024 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.225 -9.441 -11.650 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.595 -8.414 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.065 -7.705 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.749 -10.645 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.999 -9.437 -11.593 1.00 0.00 H new ATOM 87 N LEU A 22 -1.836 -7.546 -10.907 1.00 0.00 N ATOM 88 CA LEU A 22 -0.960 -6.460 -10.483 1.00 0.00 C ATOM 89 C LEU A 22 -1.735 -5.160 -10.309 1.00 0.00 C ATOM 90 O LEU A 22 -2.640 -4.854 -11.088 1.00 0.00 O ATOM 91 CB LEU A 22 0.162 -6.258 -11.502 1.00 0.00 C ATOM 92 CG LEU A 22 1.360 -7.192 -11.339 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.457 -6.827 -12.328 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.887 -7.135 -9.914 1.00 0.00 C ATOM 0 H LEU A 22 -1.604 -7.944 -11.817 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.531 -6.735 -9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.249 -6.390 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.512 -5.228 -11.435 1.00 0.00 H new ATOM 0 HG LEU A 22 1.035 -8.212 -11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.303 -7.502 -12.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.074 -6.916 -13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.781 -5.801 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.740 -7.806 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.197 -6.116 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.102 -7.442 -9.223 1.00 0.00 H new ATOM 106 N HIS A 23 -1.368 -4.396 -9.287 1.00 0.00 N ATOM 107 CA HIS A 23 -2.021 -3.124 -9.010 1.00 0.00 C ATOM 108 C HIS A 23 -1.017 -2.101 -8.487 1.00 0.00 C ATOM 109 O HIS A 23 -0.550 -2.202 -7.351 1.00 0.00 O ATOM 110 CB HIS A 23 -3.145 -3.307 -7.988 1.00 0.00 C ATOM 111 CG HIS A 23 -4.347 -4.014 -8.531 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.723 -3.956 -9.857 1.00 0.00 N ATOM 113 CD2 HIS A 23 -5.264 -4.801 -7.917 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.819 -4.674 -10.035 1.00 0.00 C ATOM 115 NE2 HIS A 23 -6.166 -5.196 -8.873 1.00 0.00 N ATOM 0 H HIS A 23 -0.620 -4.636 -8.636 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.445 -2.757 -9.945 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.760 -3.867 -7.135 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.448 -2.328 -7.616 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -4.232 -3.440 -10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.282 -5.068 -6.871 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.341 -4.810 -10.971 1.00 0.00 H new ATOM 124 N LYS A 24 -0.698 -1.112 -9.316 1.00 0.00 N ATOM 125 CA LYS A 24 0.237 -0.065 -8.925 1.00 0.00 C ATOM 126 C LYS A 24 -0.441 0.897 -7.960 1.00 0.00 C ATOM 127 O LYS A 24 -1.242 1.738 -8.369 1.00 0.00 O ATOM 128 CB LYS A 24 0.745 0.690 -10.157 1.00 0.00 C ATOM 129 CG LYS A 24 2.233 0.993 -10.112 1.00 0.00 C ATOM 130 CD LYS A 24 2.773 1.333 -11.492 1.00 0.00 C ATOM 131 CE LYS A 24 2.863 0.099 -12.374 1.00 0.00 C ATOM 132 NZ LYS A 24 4.230 -0.492 -12.365 1.00 0.00 N ATOM 0 H LYS A 24 -1.072 -1.014 -10.260 1.00 0.00 H new ATOM 0 HA LYS A 24 1.092 -0.525 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.529 0.101 -11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.195 1.626 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.416 1.826 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.769 0.132 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.127 2.073 -11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.760 1.786 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.144 -0.645 -12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.588 0.362 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.249 -1.331 -12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.914 0.209 -12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.483 -0.767 -11.394 1.00 0.00 H new ATOM 146 N VAL A 25 -0.134 0.758 -6.677 1.00 0.00 N ATOM 147 CA VAL A 25 -0.735 1.606 -5.656 1.00 0.00 C ATOM 148 C VAL A 25 0.277 2.571 -5.054 1.00 0.00 C ATOM 149 O VAL A 25 1.417 2.202 -4.770 1.00 0.00 O ATOM 150 CB VAL A 25 -1.369 0.774 -4.515 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.865 1.035 -4.427 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.093 -0.714 -4.695 1.00 0.00 C ATOM 0 H VAL A 25 0.526 0.068 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.516 2.174 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.908 1.088 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.291 0.441 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.039 2.093 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.339 0.759 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.551 -1.271 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.513 -1.050 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.017 -0.887 -4.693 1.00 0.00 H new ATOM 162 N THR A 26 -0.160 3.807 -4.847 1.00 0.00 N ATOM 163 CA THR A 26 0.683 4.836 -4.262 1.00 0.00 C ATOM 164 C THR A 26 -0.074 5.549 -3.146 1.00 0.00 C ATOM 165 O THR A 26 -0.990 6.329 -3.406 1.00 0.00 O ATOM 166 CB THR A 26 1.117 5.840 -5.329 1.00 0.00 C ATOM 167 OG1 THR A 26 1.832 5.193 -6.368 1.00 0.00 O ATOM 168 CG2 THR A 26 1.994 6.950 -4.790 1.00 0.00 C ATOM 0 H THR A 26 -1.103 4.121 -5.079 1.00 0.00 H new ATOM 0 HA THR A 26 1.575 4.367 -3.846 1.00 0.00 H new ATOM 0 HB THR A 26 0.192 6.280 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.726 5.587 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.265 7.626 -5.601 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.451 7.503 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.898 6.522 -4.357 1.00 0.00 H new ATOM 176 N LEU A 27 0.300 5.264 -1.903 1.00 0.00 N ATOM 177 CA LEU A 27 -0.363 5.866 -0.752 1.00 0.00 C ATOM 178 C LEU A 27 0.425 7.052 -0.205 1.00 0.00 C ATOM 179 O LEU A 27 1.512 7.368 -0.689 1.00 0.00 O ATOM 180 CB LEU A 27 -0.557 4.822 0.349 1.00 0.00 C ATOM 181 CG LEU A 27 -1.088 3.470 -0.130 1.00 0.00 C ATOM 182 CD1 LEU A 27 -1.102 2.468 1.016 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.480 3.625 -0.722 1.00 0.00 C ATOM 0 H LEU A 27 1.057 4.622 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.334 6.232 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.397 4.664 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.246 5.223 1.093 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.424 3.093 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.483 1.511 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.089 2.336 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.744 2.838 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.843 2.654 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.155 4.022 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.441 4.310 -1.569 1.00 0.00 H new ATOM 195 N TYR A 28 -0.137 7.700 0.810 1.00 0.00 N ATOM 196 CA TYR A 28 0.501 8.849 1.440 1.00 0.00 C ATOM 197 C TYR A 28 0.390 8.750 2.958 1.00 0.00 C ATOM 198 O TYR A 28 -0.666 8.412 3.490 1.00 0.00 O ATOM 199 CB TYR A 28 -0.141 10.151 0.953 1.00 0.00 C ATOM 200 CG TYR A 28 -0.439 10.166 -0.528 1.00 0.00 C ATOM 201 CD1 TYR A 28 0.553 9.890 -1.461 1.00 0.00 C ATOM 202 CD2 TYR A 28 -1.715 10.459 -0.997 1.00 0.00 C ATOM 203 CE1 TYR A 28 0.283 9.903 -2.815 1.00 0.00 C ATOM 204 CE2 TYR A 28 -1.992 10.474 -2.350 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.990 10.195 -3.255 1.00 0.00 C ATOM 206 OH TYR A 28 -1.262 10.209 -4.604 1.00 0.00 O ATOM 0 H TYR A 28 -1.038 7.447 1.215 1.00 0.00 H new ATOM 0 HA TYR A 28 1.555 8.852 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.068 10.316 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.522 10.983 1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.552 9.661 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.503 10.679 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.066 9.685 -3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.989 10.703 -2.697 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.206 10.432 -4.745 1.00 0.00 H new ATOM 216 N LYS A 29 1.487 9.038 3.650 1.00 0.00 N ATOM 217 CA LYS A 29 1.504 8.971 5.108 1.00 0.00 C ATOM 218 C LYS A 29 1.222 10.336 5.723 1.00 0.00 C ATOM 219 O LYS A 29 1.731 11.357 5.260 1.00 0.00 O ATOM 220 CB LYS A 29 2.853 8.445 5.601 1.00 0.00 C ATOM 221 CG LYS A 29 2.731 7.400 6.698 1.00 0.00 C ATOM 222 CD LYS A 29 4.068 7.146 7.378 1.00 0.00 C ATOM 223 CE LYS A 29 4.087 7.696 8.795 1.00 0.00 C ATOM 224 NZ LYS A 29 5.373 7.409 9.486 1.00 0.00 N ATOM 0 H LYS A 29 2.372 9.319 3.228 1.00 0.00 H new ATOM 0 HA LYS A 29 0.717 8.285 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.396 8.015 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.447 9.281 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.003 7.731 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.354 6.469 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.268 6.075 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.866 7.608 6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.922 8.773 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.265 7.262 9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.345 7.801 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.519 6.380 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.156 7.845 8.958 1.00 0.00 H new ATOM 238 N ASP A 30 0.409 10.343 6.774 1.00 0.00 N ATOM 239 CA ASP A 30 0.058 11.581 7.460 1.00 0.00 C ATOM 240 C ASP A 30 0.770 11.675 8.806 1.00 0.00 C ATOM 241 O ASP A 30 0.752 10.731 9.596 1.00 0.00 O ATOM 242 CB ASP A 30 -1.458 11.668 7.659 1.00 0.00 C ATOM 243 CG ASP A 30 -2.067 12.858 6.947 1.00 0.00 C ATOM 244 OD1 ASP A 30 -2.097 12.853 5.698 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.515 13.798 7.637 1.00 0.00 O ATOM 0 H ASP A 30 -0.019 9.506 7.169 1.00 0.00 H new ATOM 0 HA ASP A 30 0.381 12.417 6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.923 10.752 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.679 11.734 8.724 1.00 0.00 H new ATOM 250 N SER A 31 1.396 12.820 9.059 1.00 0.00 N ATOM 251 CA SER A 31 2.115 13.038 10.308 1.00 0.00 C ATOM 252 C SER A 31 1.173 12.927 11.503 1.00 0.00 C ATOM 253 O SER A 31 0.657 13.931 11.994 1.00 0.00 O ATOM 254 CB SER A 31 2.788 14.412 10.300 1.00 0.00 C ATOM 255 OG SER A 31 3.260 14.743 9.005 1.00 0.00 O ATOM 0 H SER A 31 1.420 13.611 8.415 1.00 0.00 H new ATOM 0 HA SER A 31 2.880 12.267 10.398 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.080 15.169 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.619 14.417 11.005 1.00 0.00 H new ATOM 0 HG SER A 31 3.684 15.626 9.027 1.00 0.00 H new ATOM 261 N GLY A 32 0.954 11.702 11.963 1.00 0.00 N ATOM 262 CA GLY A 32 0.072 11.481 13.097 1.00 0.00 C ATOM 263 C GLY A 32 -0.629 10.136 13.046 1.00 0.00 C ATOM 264 O GLY A 32 -1.152 9.666 14.056 1.00 0.00 O ATOM 0 H GLY A 32 1.370 10.857 11.573 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.650 11.549 14.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.675 12.274 13.130 1.00 0.00 H new ATOM 268 N MET A 33 -0.645 9.515 11.869 1.00 0.00 N ATOM 269 CA MET A 33 -1.293 8.219 11.699 1.00 0.00 C ATOM 270 C MET A 33 -0.392 7.092 12.197 1.00 0.00 C ATOM 271 O MET A 33 0.793 7.300 12.459 1.00 0.00 O ATOM 272 CB MET A 33 -1.650 7.994 10.228 1.00 0.00 C ATOM 273 CG MET A 33 -3.140 7.796 9.990 1.00 0.00 C ATOM 274 SD MET A 33 -3.916 9.224 9.209 1.00 0.00 S ATOM 275 CE MET A 33 -5.033 9.751 10.506 1.00 0.00 C ATOM 0 H MET A 33 -0.217 9.888 11.021 1.00 0.00 H new ATOM 0 HA MET A 33 -2.208 8.216 12.291 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.307 8.848 9.644 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.112 7.120 9.861 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.290 6.918 9.362 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.632 7.595 10.942 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.588 10.629 10.174 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.731 8.946 10.734 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.461 10.000 11.400 1.00 0.00 H new ATOM 285 N GLU A 34 -0.963 5.899 12.325 1.00 0.00 N ATOM 286 CA GLU A 34 -0.214 4.737 12.795 1.00 0.00 C ATOM 287 C GLU A 34 0.061 3.755 11.658 1.00 0.00 C ATOM 288 O GLU A 34 0.840 2.814 11.815 1.00 0.00 O ATOM 289 CB GLU A 34 -0.977 4.031 13.918 1.00 0.00 C ATOM 290 CG GLU A 34 -0.115 3.088 14.740 1.00 0.00 C ATOM 291 CD GLU A 34 0.556 3.781 15.908 1.00 0.00 C ATOM 292 OE1 GLU A 34 -0.076 4.671 16.513 1.00 0.00 O ATOM 293 OE2 GLU A 34 1.716 3.434 16.218 1.00 0.00 O ATOM 0 H GLU A 34 -1.942 5.710 12.110 1.00 0.00 H new ATOM 0 HA GLU A 34 0.743 5.092 13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.411 4.782 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.805 3.469 13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.732 2.270 15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.647 2.646 14.098 1.00 0.00 H new ATOM 300 N ASP A 35 -0.579 3.975 10.516 1.00 0.00 N ATOM 301 CA ASP A 35 -0.399 3.103 9.359 1.00 0.00 C ATOM 302 C ASP A 35 -0.715 3.845 8.064 1.00 0.00 C ATOM 303 O ASP A 35 -0.874 5.066 8.058 1.00 0.00 O ATOM 304 CB ASP A 35 -1.287 1.863 9.488 1.00 0.00 C ATOM 305 CG ASP A 35 -0.485 0.601 9.730 1.00 0.00 C ATOM 306 OD1 ASP A 35 0.664 0.524 9.245 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.005 -0.313 10.406 1.00 0.00 O ATOM 0 H ASP A 35 -1.227 4.748 10.365 1.00 0.00 H new ATOM 0 HA ASP A 35 0.644 2.790 9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.990 2.007 10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.878 1.746 8.579 1.00 0.00 H new ATOM 312 N PHE A 36 -0.800 3.100 6.967 1.00 0.00 N ATOM 313 CA PHE A 36 -1.093 3.689 5.665 1.00 0.00 C ATOM 314 C PHE A 36 -2.539 3.428 5.245 1.00 0.00 C ATOM 315 O PHE A 36 -2.884 3.558 4.071 1.00 0.00 O ATOM 316 CB PHE A 36 -0.133 3.140 4.609 1.00 0.00 C ATOM 317 CG PHE A 36 0.955 4.105 4.235 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.736 5.077 3.273 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.197 4.038 4.845 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.735 5.966 2.926 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.200 4.925 4.503 1.00 0.00 C ATOM 322 CZ PHE A 36 2.969 5.890 3.543 1.00 0.00 C ATOM 0 H PHE A 36 -0.670 2.088 6.953 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.957 4.767 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.319 2.221 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.699 2.877 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.227 5.141 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.383 3.284 5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.552 6.719 2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.164 4.863 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.752 6.584 3.275 1.00 0.00 H new ATOM 332 N GLY A 37 -3.382 3.066 6.208 1.00 0.00 N ATOM 333 CA GLY A 37 -4.777 2.805 5.908 1.00 0.00 C ATOM 334 C GLY A 37 -5.048 1.359 5.529 1.00 0.00 C ATOM 335 O GLY A 37 -6.113 1.045 4.998 1.00 0.00 O ATOM 0 H GLY A 37 -3.124 2.949 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.383 3.066 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.094 3.453 5.091 1.00 0.00 H new ATOM 339 N PHE A 38 -4.094 0.475 5.804 1.00 0.00 N ATOM 340 CA PHE A 38 -4.259 -0.939 5.485 1.00 0.00 C ATOM 341 C PHE A 38 -3.104 -1.768 6.044 1.00 0.00 C ATOM 342 O PHE A 38 -1.935 -1.429 5.868 1.00 0.00 O ATOM 343 CB PHE A 38 -4.403 -1.130 3.969 1.00 0.00 C ATOM 344 CG PHE A 38 -3.113 -1.091 3.188 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.099 -0.207 3.519 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.928 -1.940 2.109 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.924 -0.175 2.787 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.759 -1.914 1.377 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.756 -1.032 1.715 1.00 0.00 C ATOM 0 H PHE A 38 -3.204 0.710 6.244 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.173 -1.295 5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.891 -2.087 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.065 -0.355 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.226 0.464 4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.711 -2.633 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.140 0.518 3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.630 -2.584 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.160 -1.010 1.143 1.00 0.00 H new ATOM 359 N SER A 39 -3.444 -2.853 6.739 1.00 0.00 N ATOM 360 CA SER A 39 -2.439 -3.722 7.337 1.00 0.00 C ATOM 361 C SER A 39 -2.252 -4.990 6.514 1.00 0.00 C ATOM 362 O SER A 39 -3.117 -5.360 5.719 1.00 0.00 O ATOM 363 CB SER A 39 -2.832 -4.082 8.770 1.00 0.00 C ATOM 364 OG SER A 39 -3.740 -3.135 9.303 1.00 0.00 O ATOM 0 H SER A 39 -4.407 -3.148 6.900 1.00 0.00 H new ATOM 0 HA SER A 39 -1.493 -3.181 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.284 -5.074 8.788 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.940 -4.127 9.395 1.00 0.00 H new ATOM 0 HG SER A 39 -3.977 -3.389 10.219 1.00 0.00 H new ATOM 370 N VAL A 40 -1.119 -5.651 6.711 1.00 0.00 N ATOM 371 CA VAL A 40 -0.814 -6.876 5.987 1.00 0.00 C ATOM 372 C VAL A 40 -0.721 -8.068 6.935 1.00 0.00 C ATOM 373 O VAL A 40 -0.511 -7.903 8.136 1.00 0.00 O ATOM 374 CB VAL A 40 0.502 -6.751 5.203 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.386 -5.678 4.133 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.658 -6.450 6.147 1.00 0.00 C ATOM 0 H VAL A 40 -0.395 -5.358 7.367 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.631 -7.040 5.284 1.00 0.00 H new ATOM 0 HB VAL A 40 0.702 -7.702 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.327 -5.604 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.414 -5.940 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.162 -4.720 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.582 -6.365 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.467 -5.513 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.754 -7.257 6.873 1.00 0.00 H new ATOM 386 N ALA A 41 -0.882 -9.268 6.387 1.00 0.00 N ATOM 387 CA ALA A 41 -0.820 -10.488 7.183 1.00 0.00 C ATOM 388 C ALA A 41 0.237 -11.444 6.643 1.00 0.00 C ATOM 389 O ALA A 41 0.743 -11.266 5.534 1.00 0.00 O ATOM 390 CB ALA A 41 -2.179 -11.169 7.209 1.00 0.00 C ATOM 0 H ALA A 41 -1.057 -9.422 5.394 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.540 -10.213 8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.119 -12.079 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.915 -10.495 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.479 -11.422 6.192 1.00 0.00 H new ATOM 396 N ASP A 42 0.564 -12.463 7.432 1.00 0.00 N ATOM 397 CA ASP A 42 1.556 -13.452 7.030 1.00 0.00 C ATOM 398 C ASP A 42 0.992 -14.373 5.955 1.00 0.00 C ATOM 399 O ASP A 42 -0.218 -14.577 5.871 1.00 0.00 O ATOM 400 CB ASP A 42 2.008 -14.273 8.240 1.00 0.00 C ATOM 401 CG ASP A 42 0.853 -14.969 8.933 1.00 0.00 C ATOM 402 OD1 ASP A 42 -0.213 -15.124 8.300 1.00 0.00 O ATOM 403 OD2 ASP A 42 1.013 -15.361 10.108 1.00 0.00 O ATOM 0 H ASP A 42 0.156 -12.625 8.353 1.00 0.00 H new ATOM 0 HA ASP A 42 2.417 -12.925 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.736 -15.017 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.513 -13.619 8.951 1.00 0.00 H new ATOM 408 N GLY A 43 1.876 -14.923 5.131 1.00 0.00 N ATOM 409 CA GLY A 43 1.445 -15.814 4.069 1.00 0.00 C ATOM 410 C GLY A 43 1.830 -17.256 4.328 1.00 0.00 C ATOM 411 O GLY A 43 2.955 -17.665 4.045 1.00 0.00 O ATOM 0 H GLY A 43 2.883 -14.768 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.363 -15.745 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.884 -15.488 3.126 1.00 0.00 H new ATOM 415 N LEU A 44 0.894 -18.028 4.867 1.00 0.00 N ATOM 416 CA LEU A 44 1.143 -19.434 5.161 1.00 0.00 C ATOM 417 C LEU A 44 0.684 -20.330 4.014 1.00 0.00 C ATOM 418 O LEU A 44 1.089 -21.488 3.917 1.00 0.00 O ATOM 419 CB LEU A 44 0.435 -19.839 6.456 1.00 0.00 C ATOM 420 CG LEU A 44 1.213 -20.812 7.345 1.00 0.00 C ATOM 421 CD1 LEU A 44 1.605 -22.053 6.560 1.00 0.00 C ATOM 422 CD2 LEU A 44 2.445 -20.133 7.923 1.00 0.00 C ATOM 0 H LEU A 44 -0.043 -17.705 5.109 1.00 0.00 H new ATOM 0 HA LEU A 44 2.218 -19.564 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.220 -18.938 7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.524 -20.291 6.202 1.00 0.00 H new ATOM 0 HG LEU A 44 0.569 -21.118 8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.157 -22.734 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.707 -22.550 6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.232 -21.766 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.987 -20.838 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.092 -19.800 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.140 -19.273 8.520 1.00 0.00 H new ATOM 434 N LEU A 45 -0.164 -19.788 3.152 1.00 0.00 N ATOM 435 CA LEU A 45 -0.683 -20.538 2.014 1.00 0.00 C ATOM 436 C LEU A 45 0.269 -20.478 0.827 1.00 0.00 C ATOM 437 O LEU A 45 0.315 -21.397 0.008 1.00 0.00 O ATOM 438 CB LEU A 45 -2.059 -20.009 1.610 1.00 0.00 C ATOM 439 CG LEU A 45 -2.156 -18.488 1.513 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.707 -18.067 0.157 1.00 0.00 C ATOM 441 CD2 LEU A 45 -3.019 -17.932 2.637 1.00 0.00 C ATOM 0 H LEU A 45 -0.509 -18.830 3.218 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.777 -21.580 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.329 -20.439 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.795 -20.361 2.333 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.152 -18.077 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.767 -16.980 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.047 -18.428 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.702 -18.492 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.075 -16.847 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.022 -18.354 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.579 -18.196 3.598 1.00 0.00 H new ATOM 453 N GLU A 46 1.020 -19.393 0.737 1.00 0.00 N ATOM 454 CA GLU A 46 1.969 -19.212 -0.358 1.00 0.00 C ATOM 455 C GLU A 46 3.092 -18.255 0.025 1.00 0.00 C ATOM 456 O GLU A 46 3.381 -17.302 -0.698 1.00 0.00 O ATOM 457 CB GLU A 46 1.252 -18.696 -1.603 1.00 0.00 C ATOM 458 CG GLU A 46 0.210 -17.629 -1.311 1.00 0.00 C ATOM 459 CD GLU A 46 0.475 -16.332 -2.051 1.00 0.00 C ATOM 460 OE1 GLU A 46 1.602 -15.805 -1.937 1.00 0.00 O ATOM 461 OE2 GLU A 46 -0.442 -15.846 -2.744 1.00 0.00 O ATOM 0 H GLU A 46 0.994 -18.623 1.406 1.00 0.00 H new ATOM 0 HA GLU A 46 2.411 -20.185 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.990 -18.290 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.770 -19.534 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.775 -18.005 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.188 -17.433 -0.239 1.00 0.00 H new ATOM 468 N LYS A 47 3.725 -18.533 1.165 1.00 0.00 N ATOM 469 CA LYS A 47 4.840 -17.724 1.683 1.00 0.00 C ATOM 470 C LYS A 47 4.853 -16.305 1.112 1.00 0.00 C ATOM 471 O LYS A 47 5.371 -16.072 0.020 1.00 0.00 O ATOM 472 CB LYS A 47 6.173 -18.414 1.386 1.00 0.00 C ATOM 473 CG LYS A 47 6.358 -18.794 -0.074 1.00 0.00 C ATOM 474 CD LYS A 47 7.322 -17.851 -0.778 1.00 0.00 C ATOM 475 CE LYS A 47 6.844 -17.508 -2.180 1.00 0.00 C ATOM 476 NZ LYS A 47 7.337 -18.485 -3.191 1.00 0.00 N ATOM 0 H LYS A 47 3.482 -19.325 1.760 1.00 0.00 H new ATOM 0 HA LYS A 47 4.697 -17.639 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.987 -17.754 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.250 -19.313 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.733 -19.815 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.393 -18.775 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.428 -16.936 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.309 -18.311 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.754 -17.487 -2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.186 -16.508 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.989 -18.215 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.377 -18.487 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.990 -19.436 -2.953 1.00 0.00 H new ATOM 490 N GLY A 48 4.286 -15.362 1.857 1.00 0.00 N ATOM 491 CA GLY A 48 4.251 -13.982 1.402 1.00 0.00 C ATOM 492 C GLY A 48 3.507 -13.066 2.357 1.00 0.00 C ATOM 493 O GLY A 48 3.156 -13.467 3.465 1.00 0.00 O ATOM 0 H GLY A 48 3.851 -15.526 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.271 -13.619 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.777 -13.939 0.422 1.00 0.00 H new ATOM 497 N VAL A 49 3.270 -11.833 1.923 1.00 0.00 N ATOM 498 CA VAL A 49 2.564 -10.851 2.739 1.00 0.00 C ATOM 499 C VAL A 49 1.485 -10.148 1.922 1.00 0.00 C ATOM 500 O VAL A 49 1.738 -9.694 0.806 1.00 0.00 O ATOM 501 CB VAL A 49 3.535 -9.802 3.318 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.784 -8.720 4.081 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.562 -10.472 4.218 1.00 0.00 C ATOM 0 H VAL A 49 3.558 -11.488 1.007 1.00 0.00 H new ATOM 0 HA VAL A 49 2.098 -11.388 3.565 1.00 0.00 H new ATOM 0 HB VAL A 49 4.054 -9.327 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.494 -7.995 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.089 -8.217 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.230 -9.173 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.240 -9.719 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.052 -10.976 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.130 -11.202 3.641 1.00 0.00 H new ATOM 513 N TYR A 50 0.281 -10.068 2.478 1.00 0.00 N ATOM 514 CA TYR A 50 -0.834 -9.424 1.786 1.00 0.00 C ATOM 515 C TYR A 50 -1.656 -8.569 2.741 1.00 0.00 C ATOM 516 O TYR A 50 -1.649 -8.790 3.953 1.00 0.00 O ATOM 517 CB TYR A 50 -1.734 -10.471 1.120 1.00 0.00 C ATOM 518 CG TYR A 50 -1.188 -11.879 1.179 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.056 -12.233 0.459 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.800 -12.851 1.959 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.451 -13.516 0.511 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.300 -14.136 2.018 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.175 -14.464 1.292 1.00 0.00 C ATOM 524 OH TYR A 50 0.327 -15.746 1.347 1.00 0.00 O ATOM 0 H TYR A 50 0.051 -10.438 3.400 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.414 -8.775 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.713 -10.452 1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.885 -10.194 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.437 -11.492 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.682 -12.597 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.332 -13.775 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.788 -14.881 2.630 1.00 0.00 H new ATOM 0 HH TYR A 50 1.237 -15.757 0.982 1.00 0.00 H new ATOM 534 N VAL A 51 -2.371 -7.595 2.185 1.00 0.00 N ATOM 535 CA VAL A 51 -3.206 -6.706 2.980 1.00 0.00 C ATOM 536 C VAL A 51 -4.349 -7.472 3.634 1.00 0.00 C ATOM 537 O VAL A 51 -5.228 -7.999 2.952 1.00 0.00 O ATOM 538 CB VAL A 51 -3.790 -5.565 2.125 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.577 -4.593 2.993 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.682 -4.841 1.375 1.00 0.00 C ATOM 0 H VAL A 51 -2.387 -7.403 1.183 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.567 -6.277 3.752 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.473 -5.997 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.981 -3.795 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.395 -5.122 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.919 -4.165 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.112 -4.038 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.973 -4.421 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.165 -5.544 0.722 1.00 0.00 H new ATOM 550 N LYS A 52 -4.332 -7.531 4.960 1.00 0.00 N ATOM 551 CA LYS A 52 -5.365 -8.234 5.706 1.00 0.00 C ATOM 552 C LYS A 52 -6.501 -7.294 6.098 1.00 0.00 C ATOM 553 O LYS A 52 -7.645 -7.719 6.259 1.00 0.00 O ATOM 554 CB LYS A 52 -4.753 -8.894 6.950 1.00 0.00 C ATOM 555 CG LYS A 52 -5.723 -9.076 8.110 1.00 0.00 C ATOM 556 CD LYS A 52 -5.439 -10.358 8.878 1.00 0.00 C ATOM 557 CE LYS A 52 -6.723 -11.002 9.377 1.00 0.00 C ATOM 558 NZ LYS A 52 -7.640 -11.354 8.258 1.00 0.00 N ATOM 0 H LYS A 52 -3.613 -7.099 5.540 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.786 -9.008 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.355 -9.869 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.911 -8.291 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.650 -8.223 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.745 -9.096 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.905 -11.058 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.787 -10.140 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.481 -11.901 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.229 -10.320 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.195 -12.195 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.283 -10.558 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.083 -11.555 7.403 1.00 0.00 H new ATOM 572 N ASN A 53 -6.176 -6.022 6.259 1.00 0.00 N ATOM 573 CA ASN A 53 -7.172 -5.026 6.646 1.00 0.00 C ATOM 574 C ASN A 53 -6.933 -3.692 5.947 1.00 0.00 C ATOM 575 O ASN A 53 -5.817 -3.387 5.524 1.00 0.00 O ATOM 576 CB ASN A 53 -7.157 -4.828 8.164 1.00 0.00 C ATOM 577 CG ASN A 53 -8.309 -5.538 8.849 1.00 0.00 C ATOM 578 OD1 ASN A 53 -8.183 -6.850 9.015 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -9.302 -4.914 9.226 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.235 -5.652 6.129 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.149 -5.397 6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.214 -5.198 8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.204 -3.763 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.357 -3.906 9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.069 -5.405 9.686 1.00 0.00 H new ATOM 586 N ILE A 54 -7.995 -2.901 5.833 1.00 0.00 N ATOM 587 CA ILE A 54 -7.925 -1.594 5.192 1.00 0.00 C ATOM 588 C ILE A 54 -8.737 -0.566 5.978 1.00 0.00 C ATOM 589 O ILE A 54 -9.967 -0.611 5.995 1.00 0.00 O ATOM 590 CB ILE A 54 -8.438 -1.665 3.738 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.475 -2.514 2.888 1.00 0.00 C ATOM 592 CG2 ILE A 54 -8.623 -0.266 3.153 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.562 -1.719 1.974 1.00 0.00 C ATOM 0 H ILE A 54 -8.922 -3.146 6.180 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.880 -1.285 5.178 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.417 -2.145 3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.861 -3.118 3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.061 -3.205 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.985 -0.345 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.347 0.286 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.669 0.261 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.921 -2.402 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.163 -1.135 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.944 -1.048 2.571 1.00 0.00 H new ATOM 605 N ARG A 55 -8.038 0.358 6.630 1.00 0.00 N ATOM 606 CA ARG A 55 -8.690 1.394 7.421 1.00 0.00 C ATOM 607 C ARG A 55 -9.520 2.321 6.533 1.00 0.00 C ATOM 608 O ARG A 55 -8.992 2.941 5.608 1.00 0.00 O ATOM 609 CB ARG A 55 -7.645 2.209 8.188 1.00 0.00 C ATOM 610 CG ARG A 55 -8.209 2.935 9.399 1.00 0.00 C ATOM 611 CD ARG A 55 -7.112 3.314 10.381 1.00 0.00 C ATOM 612 NE ARG A 55 -7.553 4.332 11.331 1.00 0.00 N ATOM 613 CZ ARG A 55 -7.594 5.633 11.057 1.00 0.00 C ATOM 614 NH1 ARG A 55 -7.222 6.082 9.864 1.00 0.00 N ATOM 615 NH2 ARG A 55 -8.008 6.491 11.981 1.00 0.00 N ATOM 0 H ARG A 55 -7.019 0.410 6.626 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.359 0.907 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.845 1.544 8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.198 2.939 7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.734 3.833 9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.941 2.300 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.790 2.426 10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.246 3.682 9.832 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.847 4.027 12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.902 5.428 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.256 7.081 9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.294 6.152 12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.040 7.489 11.772 1.00 0.00 H new ATOM 629 N PRO A 56 -10.835 2.430 6.800 1.00 0.00 N ATOM 630 CA PRO A 56 -11.729 3.289 6.016 1.00 0.00 C ATOM 631 C PRO A 56 -11.226 4.726 5.936 1.00 0.00 C ATOM 632 O PRO A 56 -10.348 5.128 6.699 1.00 0.00 O ATOM 633 CB PRO A 56 -13.052 3.229 6.782 1.00 0.00 C ATOM 634 CG PRO A 56 -12.998 1.943 7.531 1.00 0.00 C ATOM 635 CD PRO A 56 -11.553 1.731 7.881 1.00 0.00 C ATOM 0 HA PRO A 56 -11.808 2.955 4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.156 4.077 7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.904 3.256 6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.615 1.988 8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.378 1.121 6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.311 2.147 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.298 0.672 7.913 1.00 0.00 H new ATOM 643 N ALA A 57 -11.796 5.494 5.006 1.00 0.00 N ATOM 644 CA ALA A 57 -11.420 6.896 4.808 1.00 0.00 C ATOM 645 C ALA A 57 -9.928 7.125 5.035 1.00 0.00 C ATOM 646 O ALA A 57 -9.521 7.670 6.061 1.00 0.00 O ATOM 647 CB ALA A 57 -12.238 7.790 5.727 1.00 0.00 C ATOM 0 H ALA A 57 -12.526 5.166 4.373 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.634 7.152 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.951 8.830 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.298 7.669 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.052 7.513 6.765 1.00 0.00 H new ATOM 653 N GLY A 58 -9.119 6.707 4.067 1.00 0.00 N ATOM 654 CA GLY A 58 -7.683 6.874 4.174 1.00 0.00 C ATOM 655 C GLY A 58 -6.970 6.534 2.880 1.00 0.00 C ATOM 656 O GLY A 58 -7.616 6.322 1.854 1.00 0.00 O ATOM 0 H GLY A 58 -9.434 6.255 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.458 7.904 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.303 6.238 4.974 1.00 0.00 H new ATOM 660 N PRO A 59 -5.628 6.470 2.894 1.00 0.00 N ATOM 661 CA PRO A 59 -4.845 6.147 1.698 1.00 0.00 C ATOM 662 C PRO A 59 -5.268 4.819 1.078 1.00 0.00 C ATOM 663 O PRO A 59 -5.165 4.628 -0.134 1.00 0.00 O ATOM 664 CB PRO A 59 -3.408 6.058 2.219 1.00 0.00 C ATOM 665 CG PRO A 59 -3.404 6.862 3.475 1.00 0.00 C ATOM 666 CD PRO A 59 -4.774 6.705 4.072 1.00 0.00 C ATOM 0 HA PRO A 59 -4.978 6.890 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.121 5.024 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.699 6.456 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.636 6.508 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.187 7.910 3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.815 5.871 4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.079 7.596 4.620 1.00 0.00 H new ATOM 674 N GLY A 60 -5.747 3.908 1.918 1.00 0.00 N ATOM 675 CA GLY A 60 -6.180 2.608 1.437 1.00 0.00 C ATOM 676 C GLY A 60 -7.534 2.660 0.759 1.00 0.00 C ATOM 677 O GLY A 60 -7.728 2.062 -0.302 1.00 0.00 O ATOM 0 H GLY A 60 -5.843 4.046 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.441 2.219 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.223 1.911 2.274 1.00 0.00 H new ATOM 681 N ASP A 61 -8.473 3.379 1.364 1.00 0.00 N ATOM 682 CA ASP A 61 -9.812 3.510 0.809 1.00 0.00 C ATOM 683 C ASP A 61 -9.796 4.435 -0.400 1.00 0.00 C ATOM 684 O ASP A 61 -10.565 4.258 -1.345 1.00 0.00 O ATOM 685 CB ASP A 61 -10.778 4.047 1.866 1.00 0.00 C ATOM 686 CG ASP A 61 -12.226 3.968 1.422 1.00 0.00 C ATOM 687 OD1 ASP A 61 -12.495 4.209 0.227 1.00 0.00 O ATOM 688 OD2 ASP A 61 -13.091 3.665 2.271 1.00 0.00 O ATOM 0 H ASP A 61 -8.330 3.880 2.241 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.151 2.524 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.653 3.481 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.526 5.083 2.091 1.00 0.00 H new ATOM 693 N LEU A 62 -8.912 5.425 -0.358 1.00 0.00 N ATOM 694 CA LEU A 62 -8.788 6.384 -1.443 1.00 0.00 C ATOM 695 C LEU A 62 -8.071 5.767 -2.640 1.00 0.00 C ATOM 696 O LEU A 62 -8.356 6.102 -3.788 1.00 0.00 O ATOM 697 CB LEU A 62 -8.038 7.631 -0.970 1.00 0.00 C ATOM 698 CG LEU A 62 -8.810 8.519 0.007 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.998 9.755 0.359 1.00 0.00 C ATOM 700 CD2 LEU A 62 -10.156 8.913 -0.582 1.00 0.00 C ATOM 0 H LEU A 62 -8.270 5.583 0.419 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.793 6.670 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.108 7.319 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.767 8.226 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.987 7.953 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.563 10.375 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.058 9.453 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.790 10.324 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.692 9.545 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.000 9.461 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.742 8.016 -0.784 1.00 0.00 H new ATOM 712 N GLY A 63 -7.136 4.863 -2.361 1.00 0.00 N ATOM 713 CA GLY A 63 -6.391 4.214 -3.424 1.00 0.00 C ATOM 714 C GLY A 63 -7.171 3.093 -4.080 1.00 0.00 C ATOM 715 O GLY A 63 -7.230 3.004 -5.307 1.00 0.00 O ATOM 0 H GLY A 63 -6.882 4.569 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.121 4.954 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.460 3.816 -3.020 1.00 0.00 H new ATOM 719 N GLY A 64 -7.775 2.235 -3.264 1.00 0.00 N ATOM 720 CA GLY A 64 -8.548 1.126 -3.791 1.00 0.00 C ATOM 721 C GLY A 64 -7.944 -0.222 -3.449 1.00 0.00 C ATOM 722 O GLY A 64 -8.160 -1.204 -4.158 1.00 0.00 O ATOM 0 H GLY A 64 -7.743 2.288 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.563 1.176 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.622 1.222 -4.874 1.00 0.00 H new ATOM 726 N LEU A 65 -7.185 -0.271 -2.358 1.00 0.00 N ATOM 727 CA LEU A 65 -6.548 -1.508 -1.922 1.00 0.00 C ATOM 728 C LEU A 65 -7.574 -2.462 -1.318 1.00 0.00 C ATOM 729 O LEU A 65 -8.496 -2.039 -0.623 1.00 0.00 O ATOM 730 CB LEU A 65 -5.448 -1.205 -0.903 1.00 0.00 C ATOM 731 CG LEU A 65 -4.206 -0.517 -1.477 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.697 0.553 -0.522 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.117 -1.538 -1.765 1.00 0.00 C ATOM 0 H LEU A 65 -6.996 0.533 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.102 -1.989 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.865 -0.574 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.142 -2.139 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.483 -0.035 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.814 1.030 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.474 1.301 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.437 0.095 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.242 -1.032 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.844 -2.049 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.484 -2.267 -2.488 1.00 0.00 H new ATOM 745 N LYS A 66 -7.407 -3.754 -1.590 1.00 0.00 N ATOM 746 CA LYS A 66 -8.320 -4.769 -1.074 1.00 0.00 C ATOM 747 C LYS A 66 -7.605 -5.700 -0.095 1.00 0.00 C ATOM 748 O LYS A 66 -6.384 -5.848 -0.148 1.00 0.00 O ATOM 749 CB LYS A 66 -8.908 -5.583 -2.230 1.00 0.00 C ATOM 750 CG LYS A 66 -9.377 -4.734 -3.400 1.00 0.00 C ATOM 751 CD LYS A 66 -10.783 -4.200 -3.172 1.00 0.00 C ATOM 752 CE LYS A 66 -11.629 -4.299 -4.432 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.491 -5.514 -4.426 1.00 0.00 N ATOM 0 H LYS A 66 -6.649 -4.122 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.126 -4.263 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.157 -6.290 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.748 -6.170 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.689 -3.901 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.356 -5.328 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.260 -4.760 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.730 -3.160 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.254 -3.410 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.978 -4.320 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.052 -5.546 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.894 -6.363 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.130 -5.482 -3.606 1.00 0.00 H new ATOM 767 N PRO A 67 -8.360 -6.346 0.815 1.00 0.00 N ATOM 768 CA PRO A 67 -7.791 -7.269 1.803 1.00 0.00 C ATOM 769 C PRO A 67 -7.220 -8.525 1.151 1.00 0.00 C ATOM 770 O PRO A 67 -7.731 -9.628 1.341 1.00 0.00 O ATOM 771 CB PRO A 67 -8.983 -7.622 2.697 1.00 0.00 C ATOM 772 CG PRO A 67 -10.182 -7.382 1.845 1.00 0.00 C ATOM 773 CD PRO A 67 -9.825 -6.231 0.946 1.00 0.00 C ATOM 0 HA PRO A 67 -6.958 -6.823 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.935 -8.659 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.003 -7.001 3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.432 -8.269 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.054 -7.145 2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.323 -6.306 -0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.116 -5.275 1.381 1.00 0.00 H new ATOM 781 N TYR A 68 -6.155 -8.340 0.379 1.00 0.00 N ATOM 782 CA TYR A 68 -5.501 -9.447 -0.310 1.00 0.00 C ATOM 783 C TYR A 68 -4.274 -8.975 -1.096 1.00 0.00 C ATOM 784 O TYR A 68 -3.372 -9.761 -1.376 1.00 0.00 O ATOM 785 CB TYR A 68 -6.487 -10.154 -1.240 1.00 0.00 C ATOM 786 CG TYR A 68 -7.012 -11.455 -0.677 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.141 -12.456 -0.268 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.376 -11.678 -0.550 1.00 0.00 C ATOM 789 CE1 TYR A 68 -6.616 -13.645 0.252 1.00 0.00 C ATOM 790 CE2 TYR A 68 -8.858 -12.865 -0.031 1.00 0.00 C ATOM 791 CZ TYR A 68 -7.975 -13.844 0.368 1.00 0.00 C ATOM 792 OH TYR A 68 -8.451 -15.027 0.886 1.00 0.00 O ATOM 0 H TYR A 68 -5.725 -7.430 0.214 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.160 -10.153 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.326 -9.489 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.999 -10.350 -2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.076 -12.303 -0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.071 -10.913 -0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.926 -14.414 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.922 -13.024 0.061 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.431 -15.007 0.901 1.00 0.00 H new ATOM 802 N ASP A 69 -4.258 -7.692 -1.462 1.00 0.00 N ATOM 803 CA ASP A 69 -3.158 -7.109 -2.220 1.00 0.00 C ATOM 804 C ASP A 69 -1.810 -7.557 -1.671 1.00 0.00 C ATOM 805 O ASP A 69 -1.280 -6.972 -0.727 1.00 0.00 O ATOM 806 CB ASP A 69 -3.250 -5.583 -2.191 1.00 0.00 C ATOM 807 CG ASP A 69 -4.488 -5.066 -2.896 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.480 -5.820 -2.985 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.467 -3.905 -3.359 1.00 0.00 O ATOM 0 H ASP A 69 -5.005 -7.034 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.238 -7.457 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.255 -5.242 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.363 -5.159 -2.662 1.00 0.00 H new ATOM 814 N ARG A 70 -1.272 -8.603 -2.275 1.00 0.00 N ATOM 815 CA ARG A 70 0.008 -9.155 -1.868 1.00 0.00 C ATOM 816 C ARG A 70 1.153 -8.261 -2.335 1.00 0.00 C ATOM 817 O ARG A 70 1.536 -8.285 -3.504 1.00 0.00 O ATOM 818 CB ARG A 70 0.147 -10.563 -2.443 1.00 0.00 C ATOM 819 CG ARG A 70 1.561 -11.127 -2.383 1.00 0.00 C ATOM 820 CD ARG A 70 1.600 -12.579 -2.825 1.00 0.00 C ATOM 821 NE ARG A 70 1.673 -12.708 -4.279 1.00 0.00 N ATOM 822 CZ ARG A 70 2.073 -13.811 -4.907 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.434 -14.884 -4.214 1.00 0.00 N ATOM 824 NH2 ARG A 70 2.110 -13.844 -6.233 1.00 0.00 N ATOM 0 H ARG A 70 -1.708 -9.091 -3.057 1.00 0.00 H new ATOM 0 HA ARG A 70 0.053 -9.205 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.522 -11.232 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.184 -10.553 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.218 -10.534 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.944 -11.045 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.461 -13.072 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.711 -13.093 -2.460 1.00 0.00 H new ATOM 0 HE ARG A 70 1.401 -11.905 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.406 -14.866 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.740 -15.727 -4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.832 -13.024 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.417 -14.690 -6.714 1.00 0.00 H new ATOM 838 N LEU A 71 1.688 -7.463 -1.414 1.00 0.00 N ATOM 839 CA LEU A 71 2.785 -6.555 -1.733 1.00 0.00 C ATOM 840 C LEU A 71 3.950 -7.299 -2.374 1.00 0.00 C ATOM 841 O LEU A 71 4.675 -8.034 -1.703 1.00 0.00 O ATOM 842 CB LEU A 71 3.258 -5.835 -0.470 1.00 0.00 C ATOM 843 CG LEU A 71 2.297 -4.770 0.065 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.543 -5.290 1.278 1.00 0.00 C ATOM 845 CD2 LEU A 71 3.050 -3.493 0.407 1.00 0.00 C ATOM 0 H LEU A 71 1.380 -7.427 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 71 2.415 -5.821 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.427 -6.576 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.219 -5.365 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 71 1.571 -4.540 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.865 -4.518 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.970 -6.174 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.253 -5.551 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.350 -2.748 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.800 -3.706 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.540 -3.109 -0.488 1.00 0.00 H new ATOM 857 N LEU A 72 4.122 -7.101 -3.674 1.00 0.00 N ATOM 858 CA LEU A 72 5.198 -7.748 -4.412 1.00 0.00 C ATOM 859 C LEU A 72 6.492 -6.948 -4.308 1.00 0.00 C ATOM 860 O LEU A 72 7.523 -7.469 -3.884 1.00 0.00 O ATOM 861 CB LEU A 72 4.800 -7.923 -5.879 1.00 0.00 C ATOM 862 CG LEU A 72 3.389 -8.471 -6.102 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.129 -8.686 -7.584 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.190 -9.768 -5.331 1.00 0.00 C ATOM 0 H LEU A 72 3.528 -6.496 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 72 5.371 -8.730 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.883 -6.959 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.514 -8.593 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 72 2.673 -7.738 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.121 -9.076 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.228 -7.738 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.852 -9.399 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.181 -10.142 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.914 -10.508 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.333 -9.584 -4.266 1.00 0.00 H new ATOM 876 N GLN A 73 6.430 -5.681 -4.701 1.00 0.00 N ATOM 877 CA GLN A 73 7.597 -4.809 -4.654 1.00 0.00 C ATOM 878 C GLN A 73 7.229 -3.436 -4.101 1.00 0.00 C ATOM 879 O GLN A 73 6.425 -2.712 -4.688 1.00 0.00 O ATOM 880 CB GLN A 73 8.207 -4.661 -6.047 1.00 0.00 C ATOM 881 CG GLN A 73 7.181 -4.407 -7.139 1.00 0.00 C ATOM 882 CD GLN A 73 7.810 -4.271 -8.512 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.903 -5.239 -9.265 1.00 0.00 O ATOM 884 NE2 GLN A 73 8.251 -3.061 -8.841 1.00 0.00 N ATOM 0 H GLN A 73 5.584 -5.235 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 73 8.331 -5.265 -3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.923 -3.839 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.765 -5.566 -6.288 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.461 -5.225 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.626 -3.498 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.153 -2.287 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.687 -2.907 -9.750 1.00 0.00 H new ATOM 893 N VAL A 74 7.826 -3.083 -2.966 1.00 0.00 N ATOM 894 CA VAL A 74 7.563 -1.797 -2.332 1.00 0.00 C ATOM 895 C VAL A 74 8.708 -0.822 -2.585 1.00 0.00 C ATOM 896 O VAL A 74 9.851 -1.074 -2.198 1.00 0.00 O ATOM 897 CB VAL A 74 7.358 -1.950 -0.813 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.920 -0.631 -0.195 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.345 -3.048 -0.523 1.00 0.00 C ATOM 0 H VAL A 74 8.495 -3.670 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 74 6.647 -1.404 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 74 8.309 -2.234 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.781 -0.761 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.684 0.126 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.981 -0.312 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.211 -3.144 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.391 -2.795 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.706 -3.993 -0.929 1.00 0.00 H new ATOM 909 N ASN A 75 8.397 0.292 -3.245 1.00 0.00 N ATOM 910 CA ASN A 75 9.398 1.308 -3.558 1.00 0.00 C ATOM 911 C ASN A 75 10.337 0.815 -4.652 1.00 0.00 C ATOM 912 O ASN A 75 10.417 1.399 -5.733 1.00 0.00 O ATOM 913 CB ASN A 75 10.198 1.682 -2.305 1.00 0.00 C ATOM 914 CG ASN A 75 10.125 3.164 -1.994 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.681 3.494 -0.787 1.00 0.00 O flip ATOM 916 ND2 ASN A 75 10.463 4.003 -2.829 1.00 0.00 N flip ATOM 0 H ASN A 75 7.457 0.514 -3.574 1.00 0.00 H new ATOM 0 HA ASN A 75 8.879 2.197 -3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.820 1.116 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.240 1.393 -2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.799 3.705 -3.745 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.408 4.997 -2.605 1.00 0.00 H new ATOM 923 N HIS A 76 11.043 -0.266 -4.355 1.00 0.00 N ATOM 924 CA HIS A 76 11.982 -0.860 -5.297 1.00 0.00 C ATOM 925 C HIS A 76 12.433 -2.241 -4.823 1.00 0.00 C ATOM 926 O HIS A 76 12.943 -3.039 -5.611 1.00 0.00 O ATOM 927 CB HIS A 76 13.198 0.049 -5.480 1.00 0.00 C ATOM 928 CG HIS A 76 13.876 -0.119 -6.805 1.00 0.00 C ATOM 929 ND1 HIS A 76 15.076 0.484 -7.119 1.00 0.00 N ATOM 930 CD2 HIS A 76 13.516 -0.828 -7.900 1.00 0.00 C ATOM 931 CE1 HIS A 76 15.425 0.154 -8.349 1.00 0.00 C ATOM 932 NE2 HIS A 76 14.495 -0.642 -8.845 1.00 0.00 N ATOM 0 H HIS A 76 10.983 -0.754 -3.461 1.00 0.00 H new ATOM 0 HA HIS A 76 11.473 -0.973 -6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.885 1.087 -5.370 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.916 -0.154 -4.685 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.625 -1.428 -8.010 1.00 0.00 H new ATOM 0 HE1 HIS A 76 16.318 0.479 -8.862 1.00 0.00 H new ATOM 0 HE2 HIS A 76 14.503 -1.052 -9.779 1.00 0.00 H new ATOM 941 N VAL A 77 12.243 -2.521 -3.534 1.00 0.00 N ATOM 942 CA VAL A 77 12.631 -3.807 -2.967 1.00 0.00 C ATOM 943 C VAL A 77 11.538 -4.851 -3.169 1.00 0.00 C ATOM 944 O VAL A 77 10.380 -4.629 -2.814 1.00 0.00 O ATOM 945 CB VAL A 77 12.942 -3.689 -1.463 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.536 -4.987 -0.939 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.879 -2.521 -1.202 1.00 0.00 C ATOM 0 H VAL A 77 11.823 -1.874 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 77 13.532 -4.123 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 77 12.010 -3.502 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.750 -4.886 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.826 -5.800 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.459 -5.207 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 77 14.087 -2.453 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.812 -2.674 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.411 -1.596 -1.540 1.00 0.00 H new ATOM 957 N ARG A 78 11.913 -5.993 -3.737 1.00 0.00 N ATOM 958 CA ARG A 78 10.964 -7.072 -3.981 1.00 0.00 C ATOM 959 C ARG A 78 10.521 -7.709 -2.668 1.00 0.00 C ATOM 960 O ARG A 78 11.175 -8.617 -2.156 1.00 0.00 O ATOM 961 CB ARG A 78 11.586 -8.132 -4.891 1.00 0.00 C ATOM 962 CG ARG A 78 11.801 -7.656 -6.320 1.00 0.00 C ATOM 963 CD ARG A 78 13.031 -6.770 -6.433 1.00 0.00 C ATOM 964 NE ARG A 78 13.614 -6.812 -7.771 1.00 0.00 N ATOM 965 CZ ARG A 78 14.374 -7.808 -8.219 1.00 0.00 C ATOM 966 NH1 ARG A 78 14.645 -8.847 -7.438 1.00 0.00 N ATOM 967 NH2 ARG A 78 14.864 -7.767 -9.451 1.00 0.00 N ATOM 0 H ARG A 78 12.867 -6.194 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 78 10.089 -6.650 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.543 -8.442 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.943 -9.012 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.910 -8.517 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.923 -7.106 -6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.762 -5.743 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.775 -7.088 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 78 13.427 -6.031 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.270 -8.884 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.228 -9.608 -7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.658 -6.972 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.447 -8.531 -9.794 1.00 0.00 H new ATOM 981 N THR A 79 9.406 -7.227 -2.127 1.00 0.00 N ATOM 982 CA THR A 79 8.879 -7.749 -0.872 1.00 0.00 C ATOM 983 C THR A 79 7.810 -8.810 -1.121 1.00 0.00 C ATOM 984 O THR A 79 6.849 -8.925 -0.361 1.00 0.00 O ATOM 985 CB THR A 79 8.295 -6.612 -0.028 1.00 0.00 C ATOM 986 OG1 THR A 79 7.039 -6.204 -0.536 1.00 0.00 O ATOM 987 CG2 THR A 79 9.187 -5.390 0.027 1.00 0.00 C ATOM 0 H THR A 79 8.851 -6.476 -2.538 1.00 0.00 H new ATOM 0 HA THR A 79 9.703 -8.213 -0.331 1.00 0.00 H new ATOM 0 HB THR A 79 8.200 -7.019 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.511 -5.800 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.715 -4.622 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.149 -5.661 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.340 -5.005 -0.981 1.00 0.00 H new ATOM 995 N ARG A 80 7.984 -9.586 -2.186 1.00 0.00 N ATOM 996 CA ARG A 80 7.033 -10.638 -2.528 1.00 0.00 C ATOM 997 C ARG A 80 7.072 -11.755 -1.489 1.00 0.00 C ATOM 998 O ARG A 80 6.043 -12.133 -0.930 1.00 0.00 O ATOM 999 CB ARG A 80 7.341 -11.204 -3.915 1.00 0.00 C ATOM 1000 CG ARG A 80 6.434 -10.667 -5.012 1.00 0.00 C ATOM 1001 CD ARG A 80 6.629 -11.432 -6.311 1.00 0.00 C ATOM 1002 NE ARG A 80 5.413 -11.452 -7.122 1.00 0.00 N ATOM 1003 CZ ARG A 80 4.860 -12.560 -7.618 1.00 0.00 C ATOM 1004 NH1 ARG A 80 5.411 -13.749 -7.401 1.00 0.00 N ATOM 1005 NH2 ARG A 80 3.750 -12.478 -8.340 1.00 0.00 N ATOM 0 H ARG A 80 8.774 -9.506 -2.827 1.00 0.00 H new ATOM 0 HA ARG A 80 6.033 -10.205 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.376 -10.976 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.252 -12.290 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.393 -10.741 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.643 -9.610 -5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.438 -10.977 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.933 -12.455 -6.087 1.00 0.00 H new ATOM 0 HE ARG A 80 4.958 -10.561 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.266 -13.822 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.979 -14.589 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.321 -11.569 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.325 -13.324 -8.720 1.00 0.00 H new ATOM 1019 N ASP A 81 8.268 -12.278 -1.236 1.00 0.00 N ATOM 1020 CA ASP A 81 8.446 -13.351 -0.263 1.00 0.00 C ATOM 1021 C ASP A 81 8.815 -12.795 1.110 1.00 0.00 C ATOM 1022 O ASP A 81 9.438 -13.482 1.919 1.00 0.00 O ATOM 1023 CB ASP A 81 9.528 -14.322 -0.739 1.00 0.00 C ATOM 1024 CG ASP A 81 10.824 -13.618 -1.088 1.00 0.00 C ATOM 1025 OD1 ASP A 81 11.250 -12.740 -0.308 1.00 0.00 O ATOM 1026 OD2 ASP A 81 11.411 -13.944 -2.139 1.00 0.00 O ATOM 0 H ASP A 81 9.129 -11.976 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 81 7.499 -13.883 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.717 -15.061 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.166 -14.865 -1.612 1.00 0.00 H new ATOM 1031 N PHE A 82 8.428 -11.548 1.368 1.00 0.00 N ATOM 1032 CA PHE A 82 8.721 -10.905 2.642 1.00 0.00 C ATOM 1033 C PHE A 82 7.715 -11.327 3.705 1.00 0.00 C ATOM 1034 O PHE A 82 6.744 -12.024 3.414 1.00 0.00 O ATOM 1035 CB PHE A 82 8.699 -9.383 2.481 1.00 0.00 C ATOM 1036 CG PHE A 82 10.041 -8.785 2.158 1.00 0.00 C ATOM 1037 CD1 PHE A 82 10.957 -9.477 1.382 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.380 -7.528 2.629 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.189 -8.926 1.084 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.610 -6.971 2.335 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.515 -7.670 1.561 1.00 0.00 C ATOM 0 H PHE A 82 7.911 -10.964 0.710 1.00 0.00 H new ATOM 0 HA PHE A 82 9.715 -11.218 2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.996 -9.121 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.325 -8.935 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.705 -10.458 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.675 -6.976 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.896 -9.476 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.863 -5.990 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.476 -7.236 1.329 1.00 0.00 H new ATOM 1051 N ASP A 83 7.951 -10.891 4.936 1.00 0.00 N ATOM 1052 CA ASP A 83 7.063 -11.214 6.045 1.00 0.00 C ATOM 1053 C ASP A 83 6.367 -9.955 6.551 1.00 0.00 C ATOM 1054 O ASP A 83 6.819 -8.840 6.292 1.00 0.00 O ATOM 1055 CB ASP A 83 7.847 -11.874 7.181 1.00 0.00 C ATOM 1056 CG ASP A 83 7.755 -13.388 7.144 1.00 0.00 C ATOM 1057 OD1 ASP A 83 6.778 -13.935 7.697 1.00 0.00 O ATOM 1058 OD2 ASP A 83 8.658 -14.024 6.562 1.00 0.00 O ATOM 0 H ASP A 83 8.751 -10.312 5.192 1.00 0.00 H new ATOM 0 HA ASP A 83 6.307 -11.914 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.893 -11.575 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.469 -11.513 8.137 1.00 0.00 H new ATOM 1063 N CYS A 84 5.267 -10.137 7.273 1.00 0.00 N ATOM 1064 CA CYS A 84 4.514 -9.009 7.810 1.00 0.00 C ATOM 1065 C CYS A 84 5.432 -8.067 8.579 1.00 0.00 C ATOM 1066 O CYS A 84 5.338 -6.849 8.449 1.00 0.00 O ATOM 1067 CB CYS A 84 3.390 -9.506 8.721 1.00 0.00 C ATOM 1068 SG CYS A 84 2.324 -8.192 9.360 1.00 0.00 S ATOM 0 H CYS A 84 4.877 -11.052 7.500 1.00 0.00 H new ATOM 0 HA CYS A 84 4.076 -8.462 6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.778 -10.220 8.169 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.829 -10.044 9.561 1.00 0.00 H new ATOM 0 HG CYS A 84 1.176 -8.230 8.751 1.00 0.00 H new ATOM 1074 N CYS A 85 6.322 -8.643 9.378 1.00 0.00 N ATOM 1075 CA CYS A 85 7.258 -7.860 10.166 1.00 0.00 C ATOM 1076 C CYS A 85 8.206 -7.063 9.270 1.00 0.00 C ATOM 1077 O CYS A 85 8.818 -6.092 9.713 1.00 0.00 O ATOM 1078 CB CYS A 85 8.059 -8.769 11.099 1.00 0.00 C ATOM 1079 SG CYS A 85 8.874 -7.895 12.456 1.00 0.00 S ATOM 0 H CYS A 85 6.413 -9.652 9.496 1.00 0.00 H new ATOM 0 HA CYS A 85 6.682 -7.154 10.764 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.392 -9.524 11.515 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.813 -9.297 10.516 1.00 0.00 H new ATOM 0 HG CYS A 85 9.525 -8.747 13.192 1.00 0.00 H new ATOM 1085 N LEU A 86 8.325 -7.479 8.013 1.00 0.00 N ATOM 1086 CA LEU A 86 9.200 -6.799 7.062 1.00 0.00 C ATOM 1087 C LEU A 86 8.406 -5.808 6.213 1.00 0.00 C ATOM 1088 O LEU A 86 8.916 -4.757 5.819 1.00 0.00 O ATOM 1089 CB LEU A 86 9.899 -7.820 6.159 1.00 0.00 C ATOM 1090 CG LEU A 86 11.375 -8.063 6.484 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.516 -8.806 7.802 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.046 -8.836 5.359 1.00 0.00 C ATOM 0 H LEU A 86 7.828 -8.282 7.629 1.00 0.00 H new ATOM 0 HA LEU A 86 9.954 -6.249 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.366 -8.768 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.820 -7.483 5.125 1.00 0.00 H new ATOM 0 HG LEU A 86 11.871 -7.097 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.572 -8.970 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.071 -8.215 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.006 -9.767 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.095 -9.000 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.548 -9.797 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.976 -8.265 4.433 1.00 0.00 H new ATOM 1104 N VAL A 87 7.152 -6.149 5.943 1.00 0.00 N ATOM 1105 CA VAL A 87 6.283 -5.297 5.148 1.00 0.00 C ATOM 1106 C VAL A 87 5.762 -4.128 5.976 1.00 0.00 C ATOM 1107 O VAL A 87 5.609 -3.019 5.469 1.00 0.00 O ATOM 1108 CB VAL A 87 5.096 -6.093 4.573 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.198 -5.195 3.734 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.599 -7.270 3.752 1.00 0.00 C ATOM 0 H VAL A 87 6.715 -7.013 6.265 1.00 0.00 H new ATOM 0 HA VAL A 87 6.877 -4.909 4.320 1.00 0.00 H new ATOM 0 HB VAL A 87 4.504 -6.478 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.367 -5.779 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.811 -4.386 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.772 -4.776 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.750 -7.824 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.214 -6.904 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.195 -7.927 4.385 1.00 0.00 H new ATOM 1120 N VAL A 88 5.497 -4.379 7.256 1.00 0.00 N ATOM 1121 CA VAL A 88 5.002 -3.333 8.140 1.00 0.00 C ATOM 1122 C VAL A 88 5.975 -2.154 8.186 1.00 0.00 C ATOM 1123 O VAL A 88 5.579 -1.009 7.962 1.00 0.00 O ATOM 1124 CB VAL A 88 4.762 -3.860 9.573 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.330 -2.733 10.500 1.00 0.00 C ATOM 1126 CG2 VAL A 88 3.725 -4.973 9.563 1.00 0.00 C ATOM 0 H VAL A 88 5.616 -5.290 7.699 1.00 0.00 H new ATOM 0 HA VAL A 88 4.048 -2.998 7.733 1.00 0.00 H new ATOM 0 HB VAL A 88 5.701 -4.266 9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.167 -3.129 11.503 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.108 -1.970 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.405 -2.292 10.130 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.568 -5.333 10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.785 -4.591 9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.078 -5.793 8.938 1.00 0.00 H new ATOM 1136 N PRO A 89 7.268 -2.412 8.463 1.00 0.00 N ATOM 1137 CA PRO A 89 8.284 -1.357 8.516 1.00 0.00 C ATOM 1138 C PRO A 89 8.529 -0.736 7.146 1.00 0.00 C ATOM 1139 O PRO A 89 8.592 0.487 7.010 1.00 0.00 O ATOM 1140 CB PRO A 89 9.539 -2.083 9.007 1.00 0.00 C ATOM 1141 CG PRO A 89 9.325 -3.505 8.629 1.00 0.00 C ATOM 1142 CD PRO A 89 7.845 -3.741 8.737 1.00 0.00 C ATOM 0 HA PRO A 89 7.982 -0.531 9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.438 -1.680 8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.663 -1.974 10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.678 -3.697 7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.876 -4.173 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.503 -4.484 8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.567 -4.104 9.726 1.00 0.00 H new ATOM 1150 N LEU A 90 8.658 -1.585 6.127 1.00 0.00 N ATOM 1151 CA LEU A 90 8.888 -1.112 4.769 1.00 0.00 C ATOM 1152 C LEU A 90 7.810 -0.115 4.356 1.00 0.00 C ATOM 1153 O LEU A 90 8.054 0.786 3.553 1.00 0.00 O ATOM 1154 CB LEU A 90 8.909 -2.290 3.793 1.00 0.00 C ATOM 1155 CG LEU A 90 10.194 -3.120 3.808 1.00 0.00 C ATOM 1156 CD1 LEU A 90 9.932 -4.516 3.264 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.284 -2.427 3.004 1.00 0.00 C ATOM 0 H LEU A 90 8.607 -2.600 6.219 1.00 0.00 H new ATOM 0 HA LEU A 90 9.855 -0.610 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.068 -2.946 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.752 -1.909 2.784 1.00 0.00 H new ATOM 0 HG LEU A 90 10.535 -3.212 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.857 -5.093 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.183 -5.012 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.569 -4.445 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.191 -3.031 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.953 -2.305 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.489 -1.448 3.438 1.00 0.00 H new ATOM 1169 N ILE A 91 6.617 -0.285 4.918 1.00 0.00 N ATOM 1170 CA ILE A 91 5.494 0.595 4.620 1.00 0.00 C ATOM 1171 C ILE A 91 5.621 1.915 5.380 1.00 0.00 C ATOM 1172 O ILE A 91 5.464 2.991 4.803 1.00 0.00 O ATOM 1173 CB ILE A 91 4.150 -0.087 4.975 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.859 -1.223 3.991 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.001 0.918 4.981 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.786 -2.176 4.471 1.00 0.00 C ATOM 0 H ILE A 91 6.404 -1.027 5.584 1.00 0.00 H new ATOM 0 HA ILE A 91 5.511 0.803 3.550 1.00 0.00 H new ATOM 0 HB ILE A 91 4.237 -0.500 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.554 -0.796 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.777 -1.782 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.072 0.407 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.201 1.694 5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.909 1.371 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.631 -2.955 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.097 -2.631 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.855 -1.629 4.623 1.00 0.00 H new ATOM 1188 N ALA A 92 5.897 1.823 6.677 1.00 0.00 N ATOM 1189 CA ALA A 92 6.032 3.003 7.517 1.00 0.00 C ATOM 1190 C ALA A 92 7.346 3.743 7.265 1.00 0.00 C ATOM 1191 O ALA A 92 7.587 4.800 7.847 1.00 0.00 O ATOM 1192 CB ALA A 92 5.916 2.616 8.983 1.00 0.00 C ATOM 0 H ALA A 92 6.032 0.939 7.168 1.00 0.00 H new ATOM 0 HA ALA A 92 5.223 3.685 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.018 3.506 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.943 2.158 9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.703 1.905 9.235 1.00 0.00 H new ATOM 1198 N GLU A 93 8.198 3.189 6.406 1.00 0.00 N ATOM 1199 CA GLU A 93 9.482 3.814 6.101 1.00 0.00 C ATOM 1200 C GLU A 93 9.533 4.333 4.665 1.00 0.00 C ATOM 1201 O GLU A 93 10.513 4.959 4.260 1.00 0.00 O ATOM 1202 CB GLU A 93 10.624 2.824 6.338 1.00 0.00 C ATOM 1203 CG GLU A 93 10.611 1.641 5.385 1.00 0.00 C ATOM 1204 CD GLU A 93 11.790 1.645 4.431 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.348 2.734 4.182 1.00 0.00 O ATOM 1206 OE2 GLU A 93 12.156 0.559 3.934 1.00 0.00 O ATOM 0 H GLU A 93 8.024 2.314 5.912 1.00 0.00 H new ATOM 0 HA GLU A 93 9.597 4.667 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.575 3.348 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.567 2.455 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.618 0.716 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.684 1.652 4.811 1.00 0.00 H new ATOM 1213 N SER A 94 8.479 4.075 3.896 1.00 0.00 N ATOM 1214 CA SER A 94 8.422 4.523 2.509 1.00 0.00 C ATOM 1215 C SER A 94 8.404 6.046 2.417 1.00 0.00 C ATOM 1216 O SER A 94 8.657 6.617 1.355 1.00 0.00 O ATOM 1217 CB SER A 94 7.189 3.946 1.812 1.00 0.00 C ATOM 1218 OG SER A 94 7.380 3.875 0.411 1.00 0.00 O ATOM 0 H SER A 94 7.656 3.560 4.209 1.00 0.00 H new ATOM 0 HA SER A 94 9.320 4.161 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.979 2.951 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.320 4.566 2.032 1.00 0.00 H new ATOM 0 HG SER A 94 8.310 3.633 0.219 1.00 0.00 H new ATOM 1224 N GLY A 95 8.108 6.700 3.535 1.00 0.00 N ATOM 1225 CA GLY A 95 8.066 8.151 3.557 1.00 0.00 C ATOM 1226 C GLY A 95 6.653 8.694 3.454 1.00 0.00 C ATOM 1227 O GLY A 95 5.693 8.021 3.829 1.00 0.00 O ATOM 0 H GLY A 95 7.896 6.252 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.523 8.510 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.662 8.541 2.732 1.00 0.00 H new ATOM 1231 N ASN A 96 6.528 9.916 2.946 1.00 0.00 N ATOM 1232 CA ASN A 96 5.224 10.553 2.795 1.00 0.00 C ATOM 1233 C ASN A 96 4.432 9.936 1.643 1.00 0.00 C ATOM 1234 O ASN A 96 3.249 10.226 1.470 1.00 0.00 O ATOM 1235 CB ASN A 96 5.394 12.056 2.564 1.00 0.00 C ATOM 1236 CG ASN A 96 6.351 12.360 1.427 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.146 11.926 0.295 1.00 0.00 O ATOM 1238 ND2 ASN A 96 7.406 13.111 1.726 1.00 0.00 N ATOM 0 H ASN A 96 7.314 10.485 2.632 1.00 0.00 H new ATOM 0 HA ASN A 96 4.665 10.390 3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.423 12.500 2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.760 12.523 3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.085 13.348 1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.537 13.450 2.679 1.00 0.00 H new ATOM 1245 N LYS A 97 5.087 9.086 0.856 1.00 0.00 N ATOM 1246 CA LYS A 97 4.436 8.435 -0.274 1.00 0.00 C ATOM 1247 C LYS A 97 4.856 6.973 -0.370 1.00 0.00 C ATOM 1248 O LYS A 97 6.045 6.665 -0.456 1.00 0.00 O ATOM 1249 CB LYS A 97 4.779 9.163 -1.575 1.00 0.00 C ATOM 1250 CG LYS A 97 3.832 10.306 -1.901 1.00 0.00 C ATOM 1251 CD LYS A 97 4.522 11.382 -2.726 1.00 0.00 C ATOM 1252 CE LYS A 97 4.522 11.035 -4.205 1.00 0.00 C ATOM 1253 NZ LYS A 97 4.923 12.194 -5.050 1.00 0.00 N ATOM 0 H LYS A 97 6.067 8.833 0.981 1.00 0.00 H new ATOM 0 HA LYS A 97 3.358 8.477 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.795 9.552 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.767 8.447 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.971 9.922 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.453 10.742 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.018 12.337 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.548 11.505 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.204 10.204 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.527 10.699 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.910 11.914 -6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.257 12.979 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.882 12.499 -4.788 1.00 0.00 H new ATOM 1267 N LEU A 98 3.877 6.076 -0.349 1.00 0.00 N ATOM 1268 CA LEU A 98 4.156 4.647 -0.430 1.00 0.00 C ATOM 1269 C LEU A 98 3.763 4.085 -1.792 1.00 0.00 C ATOM 1270 O LEU A 98 2.603 3.748 -2.022 1.00 0.00 O ATOM 1271 CB LEU A 98 3.400 3.892 0.670 1.00 0.00 C ATOM 1272 CG LEU A 98 4.190 2.797 1.398 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.237 1.875 2.138 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.054 1.993 0.430 1.00 0.00 C ATOM 0 H LEU A 98 2.887 6.311 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 98 5.229 4.511 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.055 4.616 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.512 3.439 0.228 1.00 0.00 H new ATOM 0 HG LEU A 98 4.854 3.281 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.806 1.100 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.667 2.451 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.553 1.411 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.600 1.226 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.418 1.520 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.762 2.658 -0.064 1.00 0.00 H new ATOM 1286 N ASP A 99 4.742 3.964 -2.682 1.00 0.00 N ATOM 1287 CA ASP A 99 4.498 3.418 -4.010 1.00 0.00 C ATOM 1288 C ASP A 99 4.899 1.949 -4.042 1.00 0.00 C ATOM 1289 O ASP A 99 6.059 1.612 -3.811 1.00 0.00 O ATOM 1290 CB ASP A 99 5.282 4.202 -5.064 1.00 0.00 C ATOM 1291 CG ASP A 99 4.758 3.969 -6.468 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.876 2.830 -6.965 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.227 4.927 -7.070 1.00 0.00 O ATOM 0 H ASP A 99 5.709 4.236 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 99 3.436 3.505 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.232 5.266 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.333 3.915 -5.019 1.00 0.00 H new ATOM 1298 N LEU A 100 3.934 1.077 -4.305 1.00 0.00 N ATOM 1299 CA LEU A 100 4.206 -0.356 -4.336 1.00 0.00 C ATOM 1300 C LEU A 100 3.324 -1.082 -5.345 1.00 0.00 C ATOM 1301 O LEU A 100 2.193 -0.675 -5.609 1.00 0.00 O ATOM 1302 CB LEU A 100 3.991 -0.954 -2.947 1.00 0.00 C ATOM 1303 CG LEU A 100 2.732 -0.469 -2.222 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.517 -1.269 -2.669 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.911 -0.563 -0.714 1.00 0.00 C ATOM 0 H LEU A 100 2.965 1.332 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 100 5.243 -0.487 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.944 -2.039 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.859 -0.723 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 100 2.569 0.577 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.632 -0.911 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.376 -1.147 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.672 -2.324 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.006 -0.214 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.102 -1.599 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.754 0.056 -0.408 1.00 0.00 H new ATOM 1317 N VAL A 101 3.849 -2.178 -5.885 1.00 0.00 N ATOM 1318 CA VAL A 101 3.117 -2.992 -6.843 1.00 0.00 C ATOM 1319 C VAL A 101 2.641 -4.274 -6.173 1.00 0.00 C ATOM 1320 O VAL A 101 3.443 -5.151 -5.851 1.00 0.00 O ATOM 1321 CB VAL A 101 3.985 -3.350 -8.065 1.00 0.00 C ATOM 1322 CG1 VAL A 101 3.129 -3.942 -9.175 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.741 -2.128 -8.561 1.00 0.00 C ATOM 0 H VAL A 101 4.785 -2.522 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 101 2.263 -2.409 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 101 4.714 -4.101 -7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.760 -4.188 -10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.639 -4.846 -8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.374 -3.217 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.348 -2.401 -9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.031 -1.352 -8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.387 -1.753 -7.767 1.00 0.00 H new ATOM 1333 N ILE A 102 1.336 -4.371 -5.946 1.00 0.00 N ATOM 1334 CA ILE A 102 0.765 -5.542 -5.292 1.00 0.00 C ATOM 1335 C ILE A 102 0.056 -6.450 -6.291 1.00 0.00 C ATOM 1336 O ILE A 102 -0.171 -6.074 -7.440 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.233 -5.128 -4.191 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.430 -4.406 -4.812 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.443 -4.246 -3.148 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.547 -5.341 -5.214 1.00 0.00 C ATOM 0 H ILE A 102 0.656 -3.656 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 102 1.594 -6.090 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.588 -6.029 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.815 -3.676 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.096 -3.851 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.281 -3.967 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.266 -4.793 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.829 -3.346 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.365 -4.766 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.177 -6.055 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.906 -5.877 -4.336 1.00 0.00 H new ATOM 1352 N SER A 103 -0.299 -7.648 -5.835 1.00 0.00 N ATOM 1353 CA SER A 103 -0.990 -8.618 -6.676 1.00 0.00 C ATOM 1354 C SER A 103 -2.109 -9.297 -5.894 1.00 0.00 C ATOM 1355 O SER A 103 -1.874 -9.877 -4.835 1.00 0.00 O ATOM 1356 CB SER A 103 -0.006 -9.666 -7.201 1.00 0.00 C ATOM 1357 OG SER A 103 0.190 -9.528 -8.597 1.00 0.00 O ATOM 0 H SER A 103 -0.118 -7.970 -4.884 1.00 0.00 H new ATOM 0 HA SER A 103 -1.425 -8.090 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.949 -9.564 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.382 -10.665 -6.981 1.00 0.00 H new ATOM 0 HG SER A 103 0.824 -10.208 -8.907 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.328 -9.218 -6.419 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.478 -9.826 -5.759 1.00 0.00 C ATOM 1365 C ARG A 104 -5.373 -10.547 -6.761 1.00 0.00 C ATOM 1366 O ARG A 104 -5.797 -9.967 -7.761 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.286 -8.765 -5.005 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.474 -7.466 -5.777 1.00 0.00 C ATOM 1369 CD ARG A 104 -6.853 -7.387 -6.416 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.917 -7.693 -5.464 1.00 0.00 N ATOM 1371 CZ ARG A 104 -9.174 -7.953 -5.817 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.529 -7.938 -7.097 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -10.080 -8.228 -4.889 1.00 0.00 N ATOM 0 H ARG A 104 -3.544 -8.742 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.102 -10.560 -5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.266 -9.175 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.787 -8.546 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.335 -6.619 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -4.709 -7.388 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.007 -6.387 -6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.905 -8.083 -7.253 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.684 -7.708 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.837 -7.726 -7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.494 -8.138 -7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.814 -8.240 -3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.043 -8.427 -5.160 1.00 0.00 H new ATOM 1387 N ASN A 105 -5.658 -11.815 -6.481 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.506 -12.622 -7.352 1.00 0.00 C ATOM 1389 C ASN A 105 -7.976 -12.232 -7.193 1.00 0.00 C ATOM 1390 O ASN A 105 -8.571 -12.449 -6.137 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.322 -14.111 -7.047 1.00 0.00 C ATOM 1392 CG ASN A 105 -6.351 -14.408 -5.563 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -5.308 -14.556 -4.926 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -7.550 -14.494 -5.004 1.00 0.00 N ATOM 0 H ASN A 105 -5.314 -12.307 -5.656 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.208 -12.434 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.108 -14.680 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.373 -14.449 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.635 -14.690 -4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -8.388 -14.364 -5.571 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.586 -11.648 -8.240 1.00 0.00 N ATOM 1402 CA PRO A 106 -9.993 -11.232 -8.199 1.00 0.00 C ATOM 1403 C PRO A 106 -10.924 -12.381 -7.831 1.00 0.00 C ATOM 1404 O PRO A 106 -11.232 -13.200 -8.722 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.270 -10.755 -9.627 1.00 0.00 C ATOM 1406 CG PRO A 106 -8.933 -10.395 -10.178 1.00 0.00 C ATOM 1407 CD PRO A 106 -7.959 -11.346 -9.541 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.337 -12.453 -6.654 1.00 0.00 O ATOM 0 HA PRO A 106 -10.169 -10.468 -7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.744 -11.537 -10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.944 -9.898 -9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.919 -10.490 -11.264 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.679 -9.361 -9.945 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.823 -12.246 -10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.975 -10.893 -9.419 1.00 0.00 H new TER 1416 PRO A 106