USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 799 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 17 THR OG1 : rot 112:sc= 1.36 USER MOD Set 1.2: A 25 HIS : no HD1:sc= 1.09 K(o=2.4,f=-5.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -60:sc= 0.162 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 19:sc= 0.533 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.051) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 1.04 K(o=1,f=-0.087) USER MOD Single : A 21 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.027) USER MOD Single : A 31 SER OG : rot 29:sc= 0.616 USER MOD Single : A 53 THR OG1 : rot 23:sc= 0.34 USER MOD Single : A 55 GLN : amide:sc= 0.465 K(o=0.47,f=-0.23) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.38 K(o=1.8,f=-6!) USER MOD Single : A 60 THR OG1 : rot -149:sc= 1.18 USER MOD Single : A 61 ASN : amide:sc=-0.00237 X(o=-0.0024,f=-0.12) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.15) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -63:sc= 0.164 USER MOD Single : A 73 THR OG1 : rot -44:sc= 1.2 USER MOD Single : A 74 ASN : amide:sc= 0.0775 X(o=0.077,f=-0.034) USER MOD Single : A 77 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=-0.029) USER MOD Single : A 79 LYS NZ :NH3+ -148:sc= 0.201 (180deg=-0.167) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.329 K(o=0.33,f=-1.2) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -113:sc= 0.819 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0134) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.1) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.88 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc= -0.114 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0.00922 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.574 -7.264 15.316 1.00 0.00 N ATOM 28 CA PRO A 2 16.142 -8.468 14.594 1.00 0.00 C ATOM 29 C PRO A 2 17.041 -8.749 13.375 1.00 0.00 C ATOM 30 O PRO A 2 17.526 -9.867 13.196 1.00 0.00 O ATOM 31 CB PRO A 2 14.686 -8.205 14.192 1.00 0.00 C ATOM 32 CG PRO A 2 14.597 -6.683 14.086 1.00 0.00 C ATOM 33 CD PRO A 2 15.596 -6.189 15.136 1.00 0.00 C ATOM 0 HA PRO A 2 16.221 -9.361 15.214 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.441 -8.685 13.245 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.991 -8.594 14.936 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.860 -6.335 13.087 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.588 -6.325 14.293 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.084 -5.272 14.806 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.092 -5.962 16.075 1.00 0.00 H new ATOM 41 N CYS A 3 17.258 -7.723 12.544 1.00 0.00 N ATOM 42 CA CYS A 3 18.016 -7.733 11.288 1.00 0.00 C ATOM 43 C CYS A 3 18.732 -6.377 11.105 1.00 0.00 C ATOM 44 O CYS A 3 18.602 -5.487 11.953 1.00 0.00 O ATOM 45 CB CYS A 3 17.079 -8.069 10.100 1.00 0.00 C ATOM 46 SG CYS A 3 15.575 -9.000 10.535 1.00 0.00 S ATOM 0 H CYS A 3 16.881 -6.797 12.747 1.00 0.00 H new ATOM 0 HA CYS A 3 18.780 -8.509 11.322 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.783 -7.138 9.617 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.643 -8.644 9.365 1.00 0.00 H new ATOM 51 N LYS A 4 19.490 -6.203 10.015 1.00 0.00 N ATOM 52 CA LYS A 4 20.275 -4.989 9.725 1.00 0.00 C ATOM 53 C LYS A 4 19.668 -4.219 8.548 1.00 0.00 C ATOM 54 O LYS A 4 19.381 -4.807 7.502 1.00 0.00 O ATOM 55 CB LYS A 4 21.741 -5.372 9.449 1.00 0.00 C ATOM 56 CG LYS A 4 22.411 -6.240 10.535 1.00 0.00 C ATOM 57 CD LYS A 4 22.489 -5.606 11.936 1.00 0.00 C ATOM 58 CE LYS A 4 23.417 -4.384 12.027 1.00 0.00 C ATOM 59 NZ LYS A 4 24.854 -4.755 11.913 1.00 0.00 N ATOM 0 H LYS A 4 19.579 -6.917 9.292 1.00 0.00 H new ATOM 0 HA LYS A 4 20.248 -4.331 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.787 -5.906 8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.322 -4.458 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.866 -7.181 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.422 -6.483 10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.486 -5.310 12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.830 -6.360 12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.163 -3.678 11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.250 -3.874 12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.440 -3.898 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 25.106 -5.408 12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.021 -5.218 10.997 1.00 0.00 H new ATOM 73 N TYR A 5 19.481 -2.910 8.716 1.00 0.00 N ATOM 74 CA TYR A 5 18.840 -2.014 7.744 1.00 0.00 C ATOM 75 C TYR A 5 19.629 -0.700 7.564 1.00 0.00 C ATOM 76 O TYR A 5 20.439 -0.333 8.421 1.00 0.00 O ATOM 77 CB TYR A 5 17.398 -1.706 8.184 1.00 0.00 C ATOM 78 CG TYR A 5 16.508 -2.902 8.495 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.509 -3.454 9.793 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.641 -3.430 7.515 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.638 -4.510 10.120 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.752 -4.469 7.849 1.00 0.00 C ATOM 83 CZ TYR A 5 14.752 -5.017 9.147 1.00 0.00 C ATOM 84 OH TYR A 5 13.907 -6.037 9.453 1.00 0.00 O ATOM 0 H TYR A 5 19.781 -2.424 9.561 1.00 0.00 H new ATOM 0 HA TYR A 5 18.828 -2.526 6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.440 -1.074 9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.920 -1.121 7.398 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.183 -3.064 10.541 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.659 -3.037 6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.648 -4.931 11.114 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.066 -4.848 7.106 1.00 0.00 H new ATOM 0 HH TYR A 5 14.427 -6.822 9.725 1.00 0.00 H new ATOM 94 N LYS A 6 19.373 0.024 6.466 1.00 0.00 N ATOM 95 CA LYS A 6 19.978 1.327 6.125 1.00 0.00 C ATOM 96 C LYS A 6 18.993 2.499 6.278 1.00 0.00 C ATOM 97 O LYS A 6 17.780 2.339 6.131 1.00 0.00 O ATOM 98 CB LYS A 6 20.622 1.264 4.724 1.00 0.00 C ATOM 99 CG LYS A 6 19.635 0.997 3.566 1.00 0.00 C ATOM 100 CD LYS A 6 19.918 -0.294 2.777 1.00 0.00 C ATOM 101 CE LYS A 6 21.186 -0.198 1.918 1.00 0.00 C ATOM 102 NZ LYS A 6 21.310 -1.370 1.010 1.00 0.00 N ATOM 0 H LYS A 6 18.711 -0.293 5.758 1.00 0.00 H new ATOM 0 HA LYS A 6 20.769 1.529 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.136 2.206 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.380 0.481 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.624 0.948 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.663 1.842 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.019 -1.126 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.066 -0.517 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.162 0.720 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.062 -0.140 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.176 -1.279 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.357 -2.243 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.484 -1.409 0.379 1.00 0.00 H new ATOM 116 N LEU A 7 19.539 3.678 6.580 1.00 0.00 N ATOM 117 CA LEU A 7 18.820 4.914 6.923 1.00 0.00 C ATOM 118 C LEU A 7 18.272 5.616 5.665 1.00 0.00 C ATOM 119 O LEU A 7 19.045 6.097 4.831 1.00 0.00 O ATOM 120 CB LEU A 7 19.784 5.812 7.738 1.00 0.00 C ATOM 121 CG LEU A 7 19.155 6.815 8.727 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.117 7.739 8.095 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.515 6.110 9.924 1.00 0.00 C ATOM 0 H LEU A 7 20.551 3.807 6.594 1.00 0.00 H new ATOM 0 HA LEU A 7 17.943 4.688 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.456 5.162 8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.398 6.374 7.034 1.00 0.00 H new ATOM 0 HG LEU A 7 19.993 7.429 9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.721 8.414 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.584 8.320 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.304 7.143 7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.084 6.852 10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.731 5.438 9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.273 5.536 10.456 1.00 0.00 H new ATOM 135 N LYS A 8 16.940 5.672 5.522 1.00 0.00 N ATOM 136 CA LYS A 8 16.228 6.295 4.391 1.00 0.00 C ATOM 137 C LYS A 8 14.985 7.074 4.855 1.00 0.00 C ATOM 138 O LYS A 8 13.988 6.485 5.268 1.00 0.00 O ATOM 139 CB LYS A 8 15.893 5.193 3.366 1.00 0.00 C ATOM 140 CG LYS A 8 15.206 5.703 2.086 1.00 0.00 C ATOM 141 CD LYS A 8 16.137 6.547 1.203 1.00 0.00 C ATOM 142 CE LYS A 8 15.409 6.934 -0.091 1.00 0.00 C ATOM 143 NZ LYS A 8 16.281 7.733 -0.991 1.00 0.00 N ATOM 0 H LYS A 8 16.305 5.272 6.213 1.00 0.00 H new ATOM 0 HA LYS A 8 16.867 7.039 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.813 4.679 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.246 4.456 3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.842 4.851 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.335 6.298 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.449 7.444 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.041 5.985 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.080 6.032 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.514 7.506 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.757 7.977 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.574 8.605 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.123 7.177 -1.242 1.00 0.00 H new ATOM 157 N LYS A 9 15.040 8.407 4.780 1.00 0.00 N ATOM 158 CA LYS A 9 13.923 9.331 5.086 1.00 0.00 C ATOM 159 C LYS A 9 13.519 10.156 3.858 1.00 0.00 C ATOM 160 O LYS A 9 14.339 10.395 2.969 1.00 0.00 O ATOM 161 CB LYS A 9 14.309 10.253 6.262 1.00 0.00 C ATOM 162 CG LYS A 9 14.728 9.524 7.551 1.00 0.00 C ATOM 163 CD LYS A 9 13.580 8.757 8.230 1.00 0.00 C ATOM 164 CE LYS A 9 14.066 7.876 9.392 1.00 0.00 C ATOM 165 NZ LYS A 9 14.694 8.663 10.490 1.00 0.00 N ATOM 0 H LYS A 9 15.888 8.898 4.496 1.00 0.00 H new ATOM 0 HA LYS A 9 13.058 8.733 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.129 10.898 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.463 10.902 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.532 8.825 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.132 10.252 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.842 9.468 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.077 8.133 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.223 7.312 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.785 7.149 9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.003 8.019 11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.516 9.181 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.002 9.339 10.872 1.00 0.00 H new ATOM 179 N SER A 10 12.262 10.599 3.811 1.00 0.00 N ATOM 180 CA SER A 10 11.689 11.489 2.780 1.00 0.00 C ATOM 181 C SER A 10 10.463 12.252 3.310 1.00 0.00 C ATOM 182 O SER A 10 9.961 11.957 4.396 1.00 0.00 O ATOM 183 CB SER A 10 11.290 10.662 1.544 1.00 0.00 C ATOM 184 OG SER A 10 12.434 10.331 0.771 1.00 0.00 O ATOM 0 H SER A 10 11.577 10.339 4.521 1.00 0.00 H new ATOM 0 HA SER A 10 12.449 12.221 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.782 9.751 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.584 11.227 0.935 1.00 0.00 H new ATOM 0 HG SER A 10 13.239 10.425 1.322 1.00 0.00 H new ATOM 190 N THR A 11 9.944 13.210 2.533 1.00 0.00 N ATOM 191 CA THR A 11 8.709 13.951 2.855 1.00 0.00 C ATOM 192 C THR A 11 7.881 14.192 1.590 1.00 0.00 C ATOM 193 O THR A 11 8.260 15.011 0.753 1.00 0.00 O ATOM 194 CB THR A 11 8.986 15.292 3.561 1.00 0.00 C ATOM 195 OG1 THR A 11 9.933 15.166 4.604 1.00 0.00 O ATOM 196 CG2 THR A 11 7.691 15.801 4.194 1.00 0.00 C ATOM 0 H THR A 11 10.371 13.499 1.653 1.00 0.00 H new ATOM 0 HA THR A 11 8.145 13.328 3.549 1.00 0.00 H new ATOM 0 HB THR A 11 9.375 15.975 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.078 16.041 5.022 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.880 16.750 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.939 15.944 3.418 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.330 15.072 4.920 1.00 0.00 H new ATOM 204 N ASN A 12 6.784 13.447 1.410 1.00 0.00 N ATOM 205 CA ASN A 12 5.985 13.415 0.170 1.00 0.00 C ATOM 206 C ASN A 12 4.636 12.675 0.320 1.00 0.00 C ATOM 207 O ASN A 12 4.388 12.027 1.333 1.00 0.00 O ATOM 208 CB ASN A 12 6.835 12.783 -0.961 1.00 0.00 C ATOM 209 CG ASN A 12 7.500 11.458 -0.624 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.651 11.218 -0.950 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.819 10.544 0.021 1.00 0.00 N ATOM 0 H ASN A 12 6.415 12.834 2.137 1.00 0.00 H new ATOM 0 HA ASN A 12 5.726 14.445 -0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.196 12.637 -1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.609 13.494 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.252 9.648 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.856 10.729 0.301 1.00 0.00 H new ATOM 218 N LYS A 13 3.795 12.744 -0.720 1.00 0.00 N ATOM 219 CA LYS A 13 2.566 11.953 -0.960 1.00 0.00 C ATOM 220 C LYS A 13 2.800 10.439 -1.087 1.00 0.00 C ATOM 221 O LYS A 13 3.936 9.967 -1.146 1.00 0.00 O ATOM 222 CB LYS A 13 1.839 12.496 -2.210 1.00 0.00 C ATOM 223 CG LYS A 13 2.718 12.870 -3.414 1.00 0.00 C ATOM 224 CD LYS A 13 2.873 14.395 -3.522 1.00 0.00 C ATOM 225 CE LYS A 13 3.976 14.832 -4.502 1.00 0.00 C ATOM 226 NZ LYS A 13 3.734 14.375 -5.899 1.00 0.00 N ATOM 0 H LYS A 13 3.963 13.404 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 13 1.944 12.074 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.117 11.747 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.271 13.379 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.699 12.406 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.274 12.479 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.924 14.827 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.094 14.801 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.054 15.919 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.934 14.440 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.510 14.700 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.688 13.336 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.835 14.769 -6.242 1.00 0.00 H new ATOM 240 N PHE A 14 1.708 9.683 -1.185 1.00 0.00 N ATOM 241 CA PHE A 14 1.662 8.220 -1.317 1.00 0.00 C ATOM 242 C PHE A 14 0.496 7.765 -2.214 1.00 0.00 C ATOM 243 O PHE A 14 -0.560 8.398 -2.264 1.00 0.00 O ATOM 244 CB PHE A 14 1.583 7.578 0.082 1.00 0.00 C ATOM 245 CG PHE A 14 0.560 8.200 1.021 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.809 7.885 0.901 1.00 0.00 C ATOM 247 CD2 PHE A 14 0.975 9.122 2.002 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.757 8.525 1.720 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.026 9.749 2.829 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.342 9.479 2.665 1.00 0.00 C ATOM 0 H PHE A 14 0.775 10.095 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 14 2.577 7.886 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.350 6.519 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.566 7.639 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.131 7.150 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.025 9.348 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.805 8.283 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.351 10.440 3.593 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.073 10.003 3.263 1.00 0.00 H new ATOM 260 N CYS A 15 0.691 6.668 -2.950 1.00 0.00 N ATOM 261 CA CYS A 15 -0.307 6.068 -3.841 1.00 0.00 C ATOM 262 C CYS A 15 -0.847 4.749 -3.270 1.00 0.00 C ATOM 263 O CYS A 15 -0.096 3.884 -2.811 1.00 0.00 O ATOM 264 CB CYS A 15 0.272 5.856 -5.245 1.00 0.00 C ATOM 265 SG CYS A 15 -0.988 5.366 -6.462 1.00 0.00 S ATOM 0 H CYS A 15 1.574 6.157 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.143 6.764 -3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.753 6.776 -5.577 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.046 5.090 -5.202 1.00 0.00 H new ATOM 270 N VAL A 16 -2.167 4.592 -3.330 1.00 0.00 N ATOM 271 CA VAL A 16 -2.937 3.476 -2.736 1.00 0.00 C ATOM 272 C VAL A 16 -4.096 3.037 -3.646 1.00 0.00 C ATOM 273 O VAL A 16 -4.278 3.603 -4.724 1.00 0.00 O ATOM 274 CB VAL A 16 -3.455 3.854 -1.331 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.333 3.999 -0.299 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.263 5.152 -1.321 1.00 0.00 C ATOM 0 H VAL A 16 -2.765 5.262 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.260 2.628 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.100 3.019 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.760 4.265 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.796 3.055 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.643 4.780 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.599 5.364 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.638 5.972 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.128 5.047 -1.975 1.00 0.00 H new ATOM 286 N THR A 17 -4.902 2.051 -3.229 1.00 0.00 N ATOM 287 CA THR A 17 -6.069 1.564 -4.000 1.00 0.00 C ATOM 288 C THR A 17 -7.335 1.503 -3.138 1.00 0.00 C ATOM 289 O THR A 17 -7.388 0.743 -2.169 1.00 0.00 O ATOM 290 CB THR A 17 -5.786 0.178 -4.603 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.449 0.061 -5.049 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.671 -0.180 -5.780 1.00 0.00 C ATOM 0 H THR A 17 -4.768 1.562 -2.344 1.00 0.00 H new ATOM 0 HA THR A 17 -6.239 2.278 -4.806 1.00 0.00 H new ATOM 0 HB THR A 17 -5.994 -0.506 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.971 -0.583 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.406 -1.172 -6.146 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.715 -0.176 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.529 0.550 -6.577 1.00 0.00 H new ATOM 300 N CYS A 18 -8.348 2.318 -3.459 1.00 0.00 N ATOM 301 CA CYS A 18 -9.636 2.357 -2.761 1.00 0.00 C ATOM 302 C CYS A 18 -10.575 1.269 -3.272 1.00 0.00 C ATOM 303 O CYS A 18 -10.827 1.171 -4.472 1.00 0.00 O ATOM 304 CB CYS A 18 -10.310 3.711 -2.959 1.00 0.00 C ATOM 305 SG CYS A 18 -11.699 4.030 -1.858 1.00 0.00 S ATOM 0 H CYS A 18 -8.292 2.984 -4.230 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.435 2.191 -1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.566 4.495 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.658 3.781 -3.990 1.00 0.00 H new ATOM 310 N GLU A 19 -11.130 0.488 -2.356 1.00 0.00 N ATOM 311 CA GLU A 19 -12.095 -0.572 -2.641 1.00 0.00 C ATOM 312 C GLU A 19 -13.199 -0.523 -1.576 1.00 0.00 C ATOM 313 O GLU A 19 -12.944 -0.713 -0.386 1.00 0.00 O ATOM 314 CB GLU A 19 -11.358 -1.923 -2.755 1.00 0.00 C ATOM 315 CG GLU A 19 -12.125 -2.980 -3.569 1.00 0.00 C ATOM 316 CD GLU A 19 -12.889 -3.988 -2.692 1.00 0.00 C ATOM 317 OE1 GLU A 19 -13.675 -3.549 -1.823 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.754 -5.217 -2.905 1.00 0.00 O ATOM 0 H GLU A 19 -10.916 0.575 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.589 -0.432 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.385 -1.758 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.174 -2.312 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.830 -2.477 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.422 -3.520 -4.203 1.00 0.00 H new ATOM 325 N ASN A 20 -14.412 -0.153 -2.005 1.00 0.00 N ATOM 326 CA ASN A 20 -15.559 0.175 -1.148 1.00 0.00 C ATOM 327 C ASN A 20 -15.250 1.300 -0.129 1.00 0.00 C ATOM 328 O ASN A 20 -15.383 1.143 1.086 1.00 0.00 O ATOM 329 CB ASN A 20 -16.172 -1.108 -0.547 1.00 0.00 C ATOM 330 CG ASN A 20 -16.914 -1.924 -1.590 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.132 -1.876 -1.687 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.219 -2.669 -2.420 1.00 0.00 N ATOM 0 H ASN A 20 -14.630 -0.071 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.340 0.614 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.382 -1.715 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.856 -0.841 0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.696 -3.206 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.203 -2.710 -2.340 1.00 0.00 H new ATOM 339 N GLN A 21 -14.897 2.476 -0.667 1.00 0.00 N ATOM 340 CA GLN A 21 -14.767 3.778 0.015 1.00 0.00 C ATOM 341 C GLN A 21 -13.672 3.832 1.101 1.00 0.00 C ATOM 342 O GLN A 21 -13.761 4.609 2.055 1.00 0.00 O ATOM 343 CB GLN A 21 -16.133 4.266 0.542 1.00 0.00 C ATOM 344 CG GLN A 21 -17.255 4.258 -0.507 1.00 0.00 C ATOM 345 CD GLN A 21 -18.168 3.044 -0.389 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.789 2.775 0.629 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.322 2.284 -1.445 1.00 0.00 N ATOM 0 H GLN A 21 -14.679 2.551 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.421 4.474 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.431 3.637 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.020 5.279 0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.850 5.165 -0.402 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.814 4.279 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.812 2.494 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.952 1.483 -1.409 1.00 0.00 H new ATOM 356 N ALA A 22 -12.637 3.002 0.965 1.00 0.00 N ATOM 357 CA ALA A 22 -11.541 2.868 1.907 1.00 0.00 C ATOM 358 C ALA A 22 -10.324 2.241 1.196 1.00 0.00 C ATOM 359 O ALA A 22 -10.481 1.276 0.439 1.00 0.00 O ATOM 360 CB ALA A 22 -12.032 2.001 3.070 1.00 0.00 C ATOM 0 H ALA A 22 -12.542 2.382 0.160 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.225 3.837 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.230 1.880 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.886 2.482 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.330 1.023 2.694 1.00 0.00 H new ATOM 366 N PRO A 23 -9.111 2.786 1.377 1.00 0.00 N ATOM 367 CA PRO A 23 -7.886 2.246 0.803 1.00 0.00 C ATOM 368 C PRO A 23 -7.399 0.996 1.550 1.00 0.00 C ATOM 369 O PRO A 23 -6.855 1.074 2.649 1.00 0.00 O ATOM 370 CB PRO A 23 -6.904 3.410 0.831 1.00 0.00 C ATOM 371 CG PRO A 23 -7.324 4.189 2.072 1.00 0.00 C ATOM 372 CD PRO A 23 -8.840 4.039 2.061 1.00 0.00 C ATOM 0 HA PRO A 23 -8.023 1.883 -0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.872 3.065 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.975 4.019 -0.070 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.882 3.776 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.020 5.234 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.238 4.024 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.312 4.876 1.545 1.00 0.00 H new ATOM 380 N VAL A 24 -7.588 -0.178 0.946 1.00 0.00 N ATOM 381 CA VAL A 24 -7.186 -1.480 1.497 1.00 0.00 C ATOM 382 C VAL A 24 -5.844 -1.956 0.926 1.00 0.00 C ATOM 383 O VAL A 24 -5.551 -3.139 1.020 1.00 0.00 O ATOM 384 CB VAL A 24 -8.300 -2.544 1.305 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.657 -2.066 1.833 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.521 -2.954 -0.154 1.00 0.00 C ATOM 0 H VAL A 24 -8.038 -0.255 0.034 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.043 -1.345 2.569 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.934 -3.399 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.403 -2.845 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.577 -1.849 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.957 -1.163 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.314 -3.700 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.806 -2.079 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.600 -3.375 -0.557 1.00 0.00 H new ATOM 396 N HIS A 25 -5.047 -1.101 0.264 1.00 0.00 N ATOM 397 CA HIS A 25 -3.880 -1.531 -0.536 1.00 0.00 C ATOM 398 C HIS A 25 -2.854 -0.413 -0.748 1.00 0.00 C ATOM 399 O HIS A 25 -3.246 0.739 -0.917 1.00 0.00 O ATOM 400 CB HIS A 25 -4.422 -1.932 -1.910 1.00 0.00 C ATOM 401 CG HIS A 25 -3.446 -2.620 -2.825 1.00 0.00 C ATOM 402 ND1 HIS A 25 -3.007 -2.136 -4.044 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.934 -3.875 -2.652 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.233 -3.083 -4.608 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.178 -4.144 -3.779 1.00 0.00 N ATOM 0 H HIS A 25 -5.191 -0.091 0.266 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.375 -2.340 -0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.279 -2.590 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.790 -1.036 -2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.089 -4.527 -1.805 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.739 -3.005 -5.565 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.662 -5.006 -3.954 1.00 0.00 H new ATOM 414 N PHE A 26 -1.566 -0.753 -0.835 1.00 0.00 N ATOM 415 CA PHE A 26 -0.464 0.180 -1.117 1.00 0.00 C ATOM 416 C PHE A 26 0.101 -0.045 -2.529 1.00 0.00 C ATOM 417 O PHE A 26 0.436 -1.176 -2.890 1.00 0.00 O ATOM 418 CB PHE A 26 0.631 0.008 -0.042 1.00 0.00 C ATOM 419 CG PHE A 26 1.821 0.949 -0.158 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.623 2.344 -0.195 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.135 0.440 -0.193 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.721 3.213 -0.306 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.232 1.310 -0.321 1.00 0.00 C ATOM 424 CZ PHE A 26 4.025 2.697 -0.383 1.00 0.00 C ATOM 0 H PHE A 26 -1.248 -1.714 -0.708 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.840 1.203 -1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.176 0.146 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.997 -1.018 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.622 2.747 -0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.300 -0.625 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.562 4.281 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.234 0.911 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.866 3.366 -0.490 1.00 0.00 H new ATOM 434 N VAL A 27 0.199 1.022 -3.331 1.00 0.00 N ATOM 435 CA VAL A 27 0.822 0.995 -4.671 1.00 0.00 C ATOM 436 C VAL A 27 2.300 1.395 -4.597 1.00 0.00 C ATOM 437 O VAL A 27 3.169 0.636 -5.027 1.00 0.00 O ATOM 438 CB VAL A 27 0.083 1.910 -5.670 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.687 1.831 -7.077 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.400 1.559 -5.803 1.00 0.00 C ATOM 0 H VAL A 27 -0.155 1.942 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 27 0.747 -0.031 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 27 0.194 2.914 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.136 2.491 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.732 2.140 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.623 0.806 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.871 2.234 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.501 0.532 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.887 1.661 -4.833 1.00 0.00 H new ATOM 450 N GLY A 28 2.594 2.596 -4.088 1.00 0.00 N ATOM 451 CA GLY A 28 3.934 3.192 -4.089 1.00 0.00 C ATOM 452 C GLY A 28 3.965 4.573 -3.432 1.00 0.00 C ATOM 453 O GLY A 28 2.965 5.037 -2.888 1.00 0.00 O ATOM 0 H GLY A 28 1.891 3.194 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.623 2.529 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.290 3.274 -5.116 1.00 0.00 H new ATOM 457 N VAL A 29 5.120 5.239 -3.463 1.00 0.00 N ATOM 458 CA VAL A 29 5.375 6.501 -2.742 1.00 0.00 C ATOM 459 C VAL A 29 5.809 7.624 -3.693 1.00 0.00 C ATOM 460 O VAL A 29 6.591 7.392 -4.617 1.00 0.00 O ATOM 461 CB VAL A 29 6.374 6.243 -1.598 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.800 5.913 -2.058 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.436 7.433 -0.653 1.00 0.00 C ATOM 0 H VAL A 29 5.925 4.915 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 29 4.447 6.857 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 29 5.987 5.359 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.434 5.747 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.785 5.013 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.196 6.744 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.148 7.226 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.755 8.318 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.450 7.608 -0.224 1.00 0.00 H new ATOM 473 N GLY A 30 5.272 8.841 -3.510 1.00 0.00 N ATOM 474 CA GLY A 30 5.551 10.010 -4.363 1.00 0.00 C ATOM 475 C GLY A 30 5.016 9.942 -5.807 1.00 0.00 C ATOM 476 O GLY A 30 5.137 10.918 -6.547 1.00 0.00 O ATOM 0 H GLY A 30 4.620 9.045 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.129 10.893 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.631 10.154 -4.404 1.00 0.00 H new ATOM 480 N SER A 31 4.444 8.805 -6.213 1.00 0.00 N ATOM 481 CA SER A 31 4.003 8.396 -7.558 1.00 0.00 C ATOM 482 C SER A 31 3.234 7.063 -7.465 1.00 0.00 C ATOM 483 O SER A 31 3.315 6.365 -6.451 1.00 0.00 O ATOM 484 CB SER A 31 5.216 8.201 -8.484 1.00 0.00 C ATOM 485 OG SER A 31 5.721 9.449 -8.929 1.00 0.00 O ATOM 0 H SER A 31 4.256 8.065 -5.536 1.00 0.00 H new ATOM 0 HA SER A 31 3.359 9.176 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.998 7.656 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.929 7.594 -9.342 1.00 0.00 H new ATOM 0 HG SER A 31 5.535 10.136 -8.255 1.00 0.00 H new ATOM 491 N CYS A 32 2.509 6.688 -8.522 1.00 0.00 N ATOM 492 CA CYS A 32 1.824 5.397 -8.659 1.00 0.00 C ATOM 493 C CYS A 32 2.631 4.454 -9.574 1.00 0.00 C ATOM 494 O CYS A 32 2.769 4.705 -10.773 1.00 0.00 O ATOM 495 CB CYS A 32 0.404 5.625 -9.190 1.00 0.00 C ATOM 496 SG CYS A 32 -0.697 6.558 -8.091 1.00 0.00 S ATOM 0 H CYS A 32 2.377 7.293 -9.333 1.00 0.00 H new ATOM 0 HA CYS A 32 1.750 4.917 -7.683 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.471 6.151 -10.142 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.050 4.655 -9.393 1.00 0.00 H new ATOM 707 N ASP A 50 -8.348 -5.768 5.131 1.00 0.00 N ATOM 708 CA ASP A 50 -9.162 -4.562 5.069 1.00 0.00 C ATOM 709 C ASP A 50 -8.293 -3.302 5.268 1.00 0.00 C ATOM 710 O ASP A 50 -7.112 -3.349 5.612 1.00 0.00 O ATOM 711 CB ASP A 50 -10.269 -4.663 6.147 1.00 0.00 C ATOM 712 CG ASP A 50 -11.596 -3.999 5.735 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.570 -2.968 5.025 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.671 -4.503 6.140 1.00 0.00 O ATOM 0 HA ASP A 50 -9.623 -4.475 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.453 -5.714 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.911 -4.200 7.067 1.00 0.00 H new ATOM 719 N TRP A 51 -8.916 -2.148 5.098 1.00 0.00 N ATOM 720 CA TRP A 51 -8.428 -0.815 5.465 1.00 0.00 C ATOM 721 C TRP A 51 -8.077 -0.715 6.961 1.00 0.00 C ATOM 722 O TRP A 51 -7.099 -0.068 7.342 1.00 0.00 O ATOM 723 CB TRP A 51 -9.493 0.217 5.064 1.00 0.00 C ATOM 724 CG TRP A 51 -9.619 1.410 5.960 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.617 1.622 6.848 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.703 2.534 6.104 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.397 2.817 7.505 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.238 3.428 7.076 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.462 2.878 5.534 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.599 4.624 7.427 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.804 4.072 5.882 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.376 4.951 6.817 1.00 0.00 C ATOM 0 H TRP A 51 -9.841 -2.107 4.671 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.500 -0.614 4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.271 0.566 4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.460 -0.285 5.022 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.454 0.961 7.017 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.016 3.200 8.220 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.007 2.212 4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.041 5.286 8.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.854 4.314 5.428 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.877 5.876 7.066 1.00 0.00 H new ATOM 743 N LEU A 52 -8.859 -1.376 7.821 1.00 0.00 N ATOM 744 CA LEU A 52 -8.672 -1.394 9.274 1.00 0.00 C ATOM 745 C LEU A 52 -7.285 -1.948 9.661 1.00 0.00 C ATOM 746 O LEU A 52 -6.583 -1.369 10.491 1.00 0.00 O ATOM 747 CB LEU A 52 -9.840 -2.185 9.909 1.00 0.00 C ATOM 748 CG LEU A 52 -10.463 -1.575 11.178 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.459 -1.412 12.319 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.144 -0.231 10.910 1.00 0.00 C ATOM 0 H LEU A 52 -9.661 -1.928 7.516 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.691 -0.377 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.625 -2.296 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.485 -3.187 10.149 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.219 -2.297 11.488 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.959 -0.977 13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.051 -2.387 12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.649 -0.755 12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.566 0.154 11.838 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.411 0.477 10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.940 -0.366 10.178 1.00 0.00 H new ATOM 762 N THR A 53 -6.859 -3.034 9.010 1.00 0.00 N ATOM 763 CA THR A 53 -5.526 -3.644 9.161 1.00 0.00 C ATOM 764 C THR A 53 -4.443 -2.968 8.310 1.00 0.00 C ATOM 765 O THR A 53 -3.295 -2.912 8.749 1.00 0.00 O ATOM 766 CB THR A 53 -5.572 -5.146 8.836 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.300 -5.374 7.651 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.269 -5.934 9.946 1.00 0.00 C ATOM 0 H THR A 53 -7.447 -3.532 8.342 1.00 0.00 H new ATOM 0 HA THR A 53 -5.251 -3.497 10.205 1.00 0.00 H new ATOM 0 HB THR A 53 -4.538 -5.475 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.300 -4.560 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.285 -6.992 9.686 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.728 -5.799 10.883 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.291 -5.573 10.062 1.00 0.00 H new ATOM 776 N PHE A 54 -4.775 -2.378 7.153 1.00 0.00 N ATOM 777 CA PHE A 54 -3.855 -1.612 6.289 1.00 0.00 C ATOM 778 C PHE A 54 -3.106 -0.511 7.051 1.00 0.00 C ATOM 779 O PHE A 54 -1.890 -0.368 6.905 1.00 0.00 O ATOM 780 CB PHE A 54 -4.652 -1.011 5.119 1.00 0.00 C ATOM 781 CG PHE A 54 -3.929 0.035 4.296 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.134 -0.351 3.205 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.066 1.402 4.614 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.468 0.628 2.449 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.403 2.378 3.851 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.596 1.988 2.772 1.00 0.00 C ATOM 0 H PHE A 54 -5.722 -2.420 6.777 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.095 -2.298 5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.955 -1.822 4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.564 -0.566 5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.035 -1.395 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.684 1.700 5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.852 0.332 1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.514 3.424 4.094 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.074 2.733 2.190 1.00 0.00 H new ATOM 796 N GLN A 55 -3.823 0.230 7.901 1.00 0.00 N ATOM 797 CA GLN A 55 -3.250 1.229 8.804 1.00 0.00 C ATOM 798 C GLN A 55 -2.194 0.590 9.712 1.00 0.00 C ATOM 799 O GLN A 55 -1.015 0.930 9.637 1.00 0.00 O ATOM 800 CB GLN A 55 -4.362 1.865 9.645 1.00 0.00 C ATOM 801 CG GLN A 55 -5.313 2.726 8.811 1.00 0.00 C ATOM 802 CD GLN A 55 -6.644 2.865 9.530 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.857 3.728 10.371 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.572 1.981 9.251 1.00 0.00 N ATOM 0 H GLN A 55 -4.837 0.150 7.981 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.765 2.004 8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.931 1.079 10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.915 2.478 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.875 3.710 8.643 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.464 2.273 7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.396 1.261 8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.469 2.014 9.735 1.00 0.00 H new ATOM 813 N LYS A 56 -2.602 -0.383 10.536 1.00 0.00 N ATOM 814 CA LYS A 56 -1.714 -1.075 11.496 1.00 0.00 C ATOM 815 C LYS A 56 -0.519 -1.802 10.851 1.00 0.00 C ATOM 816 O LYS A 56 0.480 -2.052 11.532 1.00 0.00 O ATOM 817 CB LYS A 56 -2.536 -2.036 12.377 1.00 0.00 C ATOM 818 CG LYS A 56 -3.713 -1.380 13.126 1.00 0.00 C ATOM 819 CD LYS A 56 -3.296 -0.182 13.993 1.00 0.00 C ATOM 820 CE LYS A 56 -4.493 0.333 14.802 1.00 0.00 C ATOM 821 NZ LYS A 56 -4.132 1.523 15.618 1.00 0.00 N ATOM 0 H LYS A 56 -3.565 -0.720 10.560 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.269 -0.294 12.113 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.925 -2.838 11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.870 -2.496 13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.457 -1.052 12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.192 -2.127 13.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.492 -0.475 14.668 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.906 0.615 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.307 0.589 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.859 -0.459 15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.965 1.844 16.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.372 1.271 16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.806 2.287 14.992 1.00 0.00 H new ATOM 835 N LYS A 57 -0.590 -2.101 9.547 1.00 0.00 N ATOM 836 CA LYS A 57 0.488 -2.701 8.741 1.00 0.00 C ATOM 837 C LYS A 57 1.660 -1.737 8.493 1.00 0.00 C ATOM 838 O LYS A 57 2.803 -2.150 8.665 1.00 0.00 O ATOM 839 CB LYS A 57 -0.115 -3.297 7.448 1.00 0.00 C ATOM 840 CG LYS A 57 0.771 -4.339 6.736 1.00 0.00 C ATOM 841 CD LYS A 57 1.797 -3.743 5.759 1.00 0.00 C ATOM 842 CE LYS A 57 2.713 -4.837 5.195 1.00 0.00 C ATOM 843 NZ LYS A 57 3.735 -4.274 4.271 1.00 0.00 N ATOM 0 H LYS A 57 -1.433 -1.925 9.000 1.00 0.00 H new ATOM 0 HA LYS A 57 0.939 -3.516 9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.071 -3.761 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.323 -2.483 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.301 -4.922 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.129 -5.031 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.279 -3.240 4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.396 -2.989 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.210 -5.355 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.113 -5.578 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.336 -5.042 3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.261 -3.801 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.323 -3.585 4.782 1.00 0.00 H new ATOM 857 N HIS A 58 1.433 -0.484 8.063 1.00 0.00 N ATOM 858 CA HIS A 58 2.535 0.446 7.712 1.00 0.00 C ATOM 859 C HIS A 58 2.224 1.950 7.881 1.00 0.00 C ATOM 860 O HIS A 58 2.856 2.796 7.251 1.00 0.00 O ATOM 861 CB HIS A 58 3.023 0.126 6.287 1.00 0.00 C ATOM 862 CG HIS A 58 2.059 0.588 5.229 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.237 1.713 4.453 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.804 0.091 5.001 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.094 1.903 3.765 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.210 0.934 4.084 1.00 0.00 N ATOM 0 H HIS A 58 0.501 -0.087 7.948 1.00 0.00 H new ATOM 0 HA HIS A 58 3.325 0.271 8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.991 0.600 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.174 -0.949 6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.365 -0.788 5.450 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.913 2.706 3.066 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.735 0.841 3.711 1.00 0.00 H new ATOM 875 N ILE A 59 1.258 2.315 8.714 1.00 0.00 N ATOM 876 CA ILE A 59 0.876 3.711 9.002 1.00 0.00 C ATOM 877 C ILE A 59 0.862 3.936 10.517 1.00 0.00 C ATOM 878 O ILE A 59 0.503 3.043 11.288 1.00 0.00 O ATOM 879 CB ILE A 59 -0.477 4.088 8.342 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.474 3.686 6.844 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.771 5.592 8.518 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.519 4.374 5.960 1.00 0.00 C ATOM 0 H ILE A 59 0.696 1.636 9.228 1.00 0.00 H new ATOM 0 HA ILE A 59 1.619 4.376 8.562 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.274 3.536 8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.514 3.896 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.624 2.608 6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.724 5.834 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.819 5.831 9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.023 6.175 8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.422 4.015 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.518 4.145 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.362 5.452 5.983 1.00 0.00 H new ATOM 894 N THR A 60 1.265 5.130 10.952 1.00 0.00 N ATOM 895 CA THR A 60 1.277 5.501 12.378 1.00 0.00 C ATOM 896 C THR A 60 0.899 6.963 12.638 1.00 0.00 C ATOM 897 O THR A 60 1.066 7.831 11.783 1.00 0.00 O ATOM 898 CB THR A 60 2.638 5.154 13.005 1.00 0.00 C ATOM 899 OG1 THR A 60 2.565 5.383 14.392 1.00 0.00 O ATOM 900 CG2 THR A 60 3.816 5.955 12.443 1.00 0.00 C ATOM 0 H THR A 60 1.593 5.870 10.332 1.00 0.00 H new ATOM 0 HA THR A 60 0.498 4.911 12.861 1.00 0.00 H new ATOM 0 HB THR A 60 2.830 4.109 12.763 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.448 5.644 14.727 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.736 5.647 12.940 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.903 5.771 11.372 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.649 7.018 12.616 1.00 0.00 H new ATOM 908 N ASN A 61 0.420 7.238 13.857 1.00 0.00 N ATOM 909 CA ASN A 61 0.225 8.570 14.434 1.00 0.00 C ATOM 910 C ASN A 61 1.465 9.060 15.229 1.00 0.00 C ATOM 911 O ASN A 61 1.442 10.152 15.796 1.00 0.00 O ATOM 912 CB ASN A 61 -1.041 8.525 15.316 1.00 0.00 C ATOM 913 CG ASN A 61 -2.336 8.664 14.529 1.00 0.00 C ATOM 914 OD1 ASN A 61 -3.072 9.629 14.665 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.672 7.710 13.690 1.00 0.00 N ATOM 0 H ASN A 61 0.144 6.496 14.500 1.00 0.00 H new ATOM 0 HA ASN A 61 0.095 9.295 13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.058 7.583 15.865 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.987 9.324 16.055 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.541 7.780 13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.064 6.900 13.569 1.00 0.00 H new ATOM 922 N THR A 62 2.541 8.264 15.290 1.00 0.00 N ATOM 923 CA THR A 62 3.835 8.590 15.919 1.00 0.00 C ATOM 924 C THR A 62 4.943 7.639 15.436 1.00 0.00 C ATOM 925 O THR A 62 4.909 6.432 15.698 1.00 0.00 O ATOM 926 CB THR A 62 3.729 8.608 17.460 1.00 0.00 C ATOM 927 OG1 THR A 62 4.991 8.915 18.018 1.00 0.00 O ATOM 928 CG2 THR A 62 3.212 7.325 18.122 1.00 0.00 C ATOM 0 H THR A 62 2.536 7.329 14.883 1.00 0.00 H new ATOM 0 HA THR A 62 4.109 9.597 15.606 1.00 0.00 H new ATOM 0 HB THR A 62 2.976 9.369 17.666 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.922 8.928 18.995 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.182 7.460 19.203 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.209 7.105 17.756 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.877 6.496 17.878 1.00 0.00 H new ATOM 936 N ARG A 63 5.925 8.144 14.673 1.00 0.00 N ATOM 937 CA ARG A 63 7.106 7.365 14.259 1.00 0.00 C ATOM 938 C ARG A 63 7.999 7.048 15.470 1.00 0.00 C ATOM 939 O ARG A 63 8.706 7.923 15.971 1.00 0.00 O ATOM 940 CB ARG A 63 7.889 8.105 13.161 1.00 0.00 C ATOM 941 CG ARG A 63 9.008 7.210 12.603 1.00 0.00 C ATOM 942 CD ARG A 63 10.000 7.970 11.723 1.00 0.00 C ATOM 943 NE ARG A 63 10.895 8.830 12.528 1.00 0.00 N ATOM 944 CZ ARG A 63 10.834 10.136 12.725 1.00 0.00 C ATOM 945 NH1 ARG A 63 9.918 10.883 12.177 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.705 10.725 13.494 1.00 0.00 N ATOM 0 H ARG A 63 5.924 9.103 14.325 1.00 0.00 H new ATOM 0 HA ARG A 63 6.766 6.418 13.841 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.213 8.396 12.357 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.316 9.022 13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.545 6.750 13.433 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.563 6.401 12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.596 7.260 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.455 8.583 11.005 1.00 0.00 H new ATOM 0 HE ARG A 63 11.664 8.350 12.995 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.213 10.463 11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.906 11.887 12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.438 10.178 13.947 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.654 11.733 13.643 1.00 0.00 H new ATOM 960 N ASP A 64 7.997 5.787 15.902 1.00 0.00 N ATOM 961 CA ASP A 64 8.803 5.273 17.026 1.00 0.00 C ATOM 962 C ASP A 64 9.858 4.222 16.605 1.00 0.00 C ATOM 963 O ASP A 64 10.603 3.693 17.433 1.00 0.00 O ATOM 964 CB ASP A 64 7.839 4.753 18.106 1.00 0.00 C ATOM 965 CG ASP A 64 8.523 4.493 19.461 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.153 5.428 20.014 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.381 3.373 20.008 1.00 0.00 O ATOM 0 H ASP A 64 7.418 5.067 15.470 1.00 0.00 H new ATOM 0 HA ASP A 64 9.402 6.089 17.431 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.036 5.477 18.245 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.378 3.829 17.757 1.00 0.00 H new ATOM 972 N VAL A 65 9.946 3.926 15.304 1.00 0.00 N ATOM 973 CA VAL A 65 10.913 2.986 14.714 1.00 0.00 C ATOM 974 C VAL A 65 12.356 3.523 14.752 1.00 0.00 C ATOM 975 O VAL A 65 12.608 4.706 14.519 1.00 0.00 O ATOM 976 CB VAL A 65 10.481 2.594 13.281 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.237 3.788 12.351 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.493 1.662 12.608 1.00 0.00 C ATOM 0 H VAL A 65 9.329 4.345 14.609 1.00 0.00 H new ATOM 0 HA VAL A 65 10.912 2.086 15.328 1.00 0.00 H new ATOM 0 HB VAL A 65 9.532 2.079 13.427 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.938 3.427 11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.446 4.415 12.763 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.153 4.372 12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.148 1.414 11.604 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.461 2.160 12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.592 0.748 13.194 1.00 0.00 H new ATOM 988 N ASP A 66 13.312 2.619 14.990 1.00 0.00 N ATOM 989 CA ASP A 66 14.768 2.835 14.870 1.00 0.00 C ATOM 990 C ASP A 66 15.466 1.719 14.050 1.00 0.00 C ATOM 991 O ASP A 66 16.691 1.600 14.042 1.00 0.00 O ATOM 992 CB ASP A 66 15.357 2.986 16.283 1.00 0.00 C ATOM 993 CG ASP A 66 16.775 3.590 16.297 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.996 4.649 15.659 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.659 3.045 17.002 1.00 0.00 O ATOM 0 H ASP A 66 13.087 1.669 15.286 1.00 0.00 H new ATOM 0 HA ASP A 66 14.950 3.751 14.308 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.696 3.617 16.878 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.382 2.008 16.764 1.00 0.00 H new ATOM 1000 N CYS A 67 14.671 0.883 13.366 1.00 0.00 N ATOM 1001 CA CYS A 67 15.060 -0.303 12.584 1.00 0.00 C ATOM 1002 C CYS A 67 15.958 -1.285 13.374 1.00 0.00 C ATOM 1003 O CYS A 67 16.931 -1.840 12.864 1.00 0.00 O ATOM 1004 CB CYS A 67 15.605 0.131 11.214 1.00 0.00 C ATOM 1005 SG CYS A 67 14.632 1.442 10.416 1.00 0.00 S ATOM 0 H CYS A 67 13.662 1.028 13.342 1.00 0.00 H new ATOM 0 HA CYS A 67 14.172 -0.903 12.385 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.632 0.477 11.335 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.637 -0.737 10.555 1.00 0.00 H new ATOM 1010 N ASP A 68 15.609 -1.477 14.652 1.00 0.00 N ATOM 1011 CA ASP A 68 16.335 -2.250 15.668 1.00 0.00 C ATOM 1012 C ASP A 68 15.378 -2.793 16.752 1.00 0.00 C ATOM 1013 O ASP A 68 15.501 -3.943 17.170 1.00 0.00 O ATOM 1014 CB ASP A 68 17.417 -1.347 16.294 1.00 0.00 C ATOM 1015 CG ASP A 68 18.509 -2.145 17.028 1.00 0.00 C ATOM 1016 OD1 ASP A 68 18.194 -2.858 18.010 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.689 -2.079 16.613 1.00 0.00 O ATOM 0 H ASP A 68 14.754 -1.069 15.030 1.00 0.00 H new ATOM 0 HA ASP A 68 16.803 -3.114 15.196 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.878 -0.744 15.511 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.947 -0.656 16.993 1.00 0.00 H new ATOM 1022 N ASN A 69 14.370 -2.012 17.166 1.00 0.00 N ATOM 1023 CA ASN A 69 13.386 -2.399 18.186 1.00 0.00 C ATOM 1024 C ASN A 69 12.134 -3.078 17.604 1.00 0.00 C ATOM 1025 O ASN A 69 11.330 -3.624 18.359 1.00 0.00 O ATOM 1026 CB ASN A 69 13.015 -1.200 19.068 1.00 0.00 C ATOM 1027 CG ASN A 69 12.322 -0.090 18.310 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.149 -0.141 17.976 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.059 0.942 17.998 1.00 0.00 N ATOM 0 H ASN A 69 14.213 -1.075 16.794 1.00 0.00 H new ATOM 0 HA ASN A 69 13.868 -3.153 18.808 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.366 -1.539 19.875 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.919 -0.805 19.531 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.656 1.716 17.470 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.038 0.974 18.282 1.00 0.00 H new ATOM 1036 N ILE A 70 11.974 -3.099 16.271 1.00 0.00 N ATOM 1037 CA ILE A 70 10.781 -3.626 15.585 1.00 0.00 C ATOM 1038 C ILE A 70 10.536 -5.121 15.833 1.00 0.00 C ATOM 1039 O ILE A 70 9.445 -5.619 15.564 1.00 0.00 O ATOM 1040 CB ILE A 70 10.813 -3.281 14.080 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.909 -4.066 13.323 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.944 -1.753 13.932 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.169 -3.551 11.908 1.00 0.00 C ATOM 0 H ILE A 70 12.682 -2.744 15.628 1.00 0.00 H new ATOM 0 HA ILE A 70 9.922 -3.123 16.030 1.00 0.00 H new ATOM 0 HB ILE A 70 9.881 -3.595 13.611 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.837 -4.018 13.893 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.621 -5.116 13.270 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.968 -1.491 12.874 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.092 -1.267 14.407 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.865 -1.419 14.410 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.950 -4.151 11.440 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.254 -3.624 11.320 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.489 -2.510 11.953 1.00 0.00 H new ATOM 1055 N MET A 71 11.511 -5.809 16.434 1.00 0.00 N ATOM 1056 CA MET A 71 11.385 -7.156 17.009 1.00 0.00 C ATOM 1057 C MET A 71 10.185 -7.304 17.972 1.00 0.00 C ATOM 1058 O MET A 71 9.536 -8.351 17.976 1.00 0.00 O ATOM 1059 CB MET A 71 12.718 -7.508 17.694 1.00 0.00 C ATOM 1060 CG MET A 71 12.810 -8.940 18.234 1.00 0.00 C ATOM 1061 SD MET A 71 12.166 -9.178 19.915 1.00 0.00 S ATOM 1062 CE MET A 71 12.544 -10.938 20.131 1.00 0.00 C ATOM 0 H MET A 71 12.451 -5.428 16.539 1.00 0.00 H new ATOM 0 HA MET A 71 11.176 -7.860 16.204 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.528 -7.352 16.981 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.880 -6.814 18.518 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.268 -9.601 17.558 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.854 -9.251 18.215 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.215 -11.262 21.118 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.026 -11.518 19.367 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.619 -11.093 20.038 1.00 0.00 H new ATOM 1072 N SER A 72 9.853 -6.268 18.757 1.00 0.00 N ATOM 1073 CA SER A 72 8.702 -6.274 19.682 1.00 0.00 C ATOM 1074 C SER A 72 7.368 -5.831 19.050 1.00 0.00 C ATOM 1075 O SER A 72 6.305 -6.062 19.633 1.00 0.00 O ATOM 1076 CB SER A 72 9.003 -5.400 20.906 1.00 0.00 C ATOM 1077 OG SER A 72 9.111 -4.032 20.550 1.00 0.00 O ATOM 0 H SER A 72 10.378 -5.394 18.770 1.00 0.00 H new ATOM 0 HA SER A 72 8.569 -7.317 19.971 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.213 -5.524 21.647 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.931 -5.731 21.372 1.00 0.00 H new ATOM 0 HG SER A 72 9.869 -3.911 19.941 1.00 0.00 H new ATOM 1083 N THR A 73 7.398 -5.213 17.863 1.00 0.00 N ATOM 1084 CA THR A 73 6.209 -4.774 17.099 1.00 0.00 C ATOM 1085 C THR A 73 5.649 -5.900 16.214 1.00 0.00 C ATOM 1086 O THR A 73 6.189 -7.007 16.182 1.00 0.00 O ATOM 1087 CB THR A 73 6.511 -3.539 16.230 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.288 -3.888 15.108 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.210 -2.401 16.975 1.00 0.00 C ATOM 0 H THR A 73 8.274 -4.995 17.388 1.00 0.00 H new ATOM 0 HA THR A 73 5.455 -4.505 17.839 1.00 0.00 H new ATOM 0 HB THR A 73 5.532 -3.171 15.923 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.009 -4.491 15.384 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.385 -1.571 16.290 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.580 -2.065 17.799 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.163 -2.755 17.368 1.00 0.00 H new ATOM 1097 N ASN A 74 4.582 -5.632 15.447 1.00 0.00 N ATOM 1098 CA ASN A 74 4.070 -6.568 14.435 1.00 0.00 C ATOM 1099 C ASN A 74 4.979 -6.721 13.190 1.00 0.00 C ATOM 1100 O ASN A 74 4.808 -7.661 12.415 1.00 0.00 O ATOM 1101 CB ASN A 74 2.614 -6.204 14.086 1.00 0.00 C ATOM 1102 CG ASN A 74 2.419 -5.080 13.077 1.00 0.00 C ATOM 1103 OD1 ASN A 74 2.480 -5.282 11.875 1.00 0.00 O ATOM 1104 ND2 ASN A 74 2.123 -3.877 13.517 1.00 0.00 N ATOM 0 H ASN A 74 4.051 -4.763 15.510 1.00 0.00 H new ATOM 0 HA ASN A 74 4.083 -7.565 14.876 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.122 -7.097 13.701 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.101 -5.929 15.007 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.946 -3.121 12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.070 -3.700 14.520 1.00 0.00 H new ATOM 1111 N LEU A 75 5.973 -5.843 13.015 1.00 0.00 N ATOM 1112 CA LEU A 75 6.902 -5.772 11.877 1.00 0.00 C ATOM 1113 C LEU A 75 8.148 -6.681 11.993 1.00 0.00 C ATOM 1114 O LEU A 75 9.065 -6.578 11.175 1.00 0.00 O ATOM 1115 CB LEU A 75 7.332 -4.300 11.694 1.00 0.00 C ATOM 1116 CG LEU A 75 6.256 -3.271 11.302 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.340 -3.788 10.202 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.424 -2.737 12.468 1.00 0.00 C ATOM 0 H LEU A 75 6.164 -5.117 13.706 1.00 0.00 H new ATOM 0 HA LEU A 75 6.364 -6.150 11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.786 -3.967 12.627 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.112 -4.273 10.933 1.00 0.00 H new ATOM 0 HG LEU A 75 6.830 -2.425 10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.598 -3.028 9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.930 -4.015 9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.835 -4.692 10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.693 -2.019 12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.905 -3.564 12.954 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.079 -2.247 13.188 1.00 0.00 H new ATOM 1130 N PHE A 76 8.182 -7.582 12.977 1.00 0.00 N ATOM 1131 CA PHE A 76 9.312 -8.430 13.390 1.00 0.00 C ATOM 1132 C PHE A 76 9.721 -9.496 12.362 1.00 0.00 C ATOM 1133 O PHE A 76 10.741 -10.167 12.524 1.00 0.00 O ATOM 1134 CB PHE A 76 8.954 -9.111 14.720 1.00 0.00 C ATOM 1135 CG PHE A 76 7.947 -10.248 14.618 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.565 -9.982 14.594 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.393 -11.582 14.546 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.637 -11.034 14.514 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.467 -12.637 14.461 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.087 -12.364 14.450 1.00 0.00 C ATOM 0 H PHE A 76 7.358 -7.754 13.553 1.00 0.00 H new ATOM 0 HA PHE A 76 10.175 -7.771 13.489 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.869 -9.497 15.169 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.558 -8.357 15.400 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.215 -8.961 14.637 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.452 -11.796 14.556 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.578 -10.821 14.502 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.816 -13.658 14.404 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.375 -13.174 14.393 1.00 0.00 H new ATOM 1150 N HIS A 77 8.930 -9.643 11.296 1.00 0.00 N ATOM 1151 CA HIS A 77 9.016 -10.654 10.231 1.00 0.00 C ATOM 1152 C HIS A 77 10.313 -10.639 9.391 1.00 0.00 C ATOM 1153 O HIS A 77 10.450 -11.443 8.469 1.00 0.00 O ATOM 1154 CB HIS A 77 7.773 -10.475 9.339 1.00 0.00 C ATOM 1155 CG HIS A 77 6.468 -10.694 10.066 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.060 -11.867 10.676 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.491 -9.756 10.247 1.00 0.00 C ATOM 1158 CE1 HIS A 77 4.849 -11.638 11.226 1.00 0.00 C ATOM 1159 NE2 HIS A 77 4.488 -10.361 10.981 1.00 0.00 N ATOM 0 H HIS A 77 8.148 -9.007 11.140 1.00 0.00 H new ATOM 0 HA HIS A 77 9.047 -11.632 10.711 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.780 -9.469 8.918 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.834 -11.171 8.502 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.501 -8.738 9.886 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.263 -12.361 11.774 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.622 -9.917 11.286 1.00 0.00 H new ATOM 1168 N CYS A 78 11.258 -9.737 9.685 1.00 0.00 N ATOM 1169 CA CYS A 78 12.538 -9.552 8.975 1.00 0.00 C ATOM 1170 C CYS A 78 12.389 -9.286 7.456 1.00 0.00 C ATOM 1171 O CYS A 78 13.232 -9.674 6.642 1.00 0.00 O ATOM 1172 CB CYS A 78 13.483 -10.723 9.294 1.00 0.00 C ATOM 1173 SG CYS A 78 15.250 -10.362 9.069 1.00 0.00 S ATOM 0 H CYS A 78 11.149 -9.083 10.461 1.00 0.00 H new ATOM 0 HA CYS A 78 12.987 -8.633 9.350 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.319 -11.033 10.326 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.216 -11.569 8.661 1.00 0.00 H new ATOM 1178 N LYS A 79 11.282 -8.639 7.068 1.00 0.00 N ATOM 1179 CA LYS A 79 10.957 -8.281 5.676 1.00 0.00 C ATOM 1180 C LYS A 79 11.979 -7.309 5.061 1.00 0.00 C ATOM 1181 O LYS A 79 12.630 -6.548 5.774 1.00 0.00 O ATOM 1182 CB LYS A 79 9.491 -7.804 5.581 1.00 0.00 C ATOM 1183 CG LYS A 79 9.023 -6.789 6.641 1.00 0.00 C ATOM 1184 CD LYS A 79 9.621 -5.383 6.480 1.00 0.00 C ATOM 1185 CE LYS A 79 10.489 -4.911 7.658 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.686 -4.660 8.886 1.00 0.00 N ATOM 0 H LYS A 79 10.566 -8.341 7.730 1.00 0.00 H new ATOM 0 HA LYS A 79 11.039 -9.174 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.340 -7.361 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.844 -8.679 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.936 -6.715 6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.281 -7.169 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.224 -5.362 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.807 -4.672 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.249 -5.663 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.014 -3.998 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.120 -3.889 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.717 -4.392 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.659 -5.523 9.465 1.00 0.00 H new ATOM 1200 N ASP A 80 12.096 -7.322 3.732 1.00 0.00 N ATOM 1201 CA ASP A 80 13.155 -6.631 2.970 1.00 0.00 C ATOM 1202 C ASP A 80 13.128 -5.099 3.095 1.00 0.00 C ATOM 1203 O ASP A 80 14.183 -4.461 3.101 1.00 0.00 O ATOM 1204 CB ASP A 80 13.062 -7.023 1.488 1.00 0.00 C ATOM 1205 CG ASP A 80 13.331 -8.520 1.264 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.510 -8.902 1.072 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.361 -9.315 1.277 1.00 0.00 O ATOM 0 H ASP A 80 11.442 -7.826 3.133 1.00 0.00 H new ATOM 0 HA ASP A 80 14.100 -6.955 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.071 -6.773 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.779 -6.437 0.913 1.00 0.00 H new ATOM 1212 N LYS A 81 11.934 -4.508 3.218 1.00 0.00 N ATOM 1213 CA LYS A 81 11.708 -3.111 3.623 1.00 0.00 C ATOM 1214 C LYS A 81 10.269 -2.877 4.087 1.00 0.00 C ATOM 1215 O LYS A 81 9.382 -3.671 3.773 1.00 0.00 O ATOM 1216 CB LYS A 81 12.073 -2.134 2.481 1.00 0.00 C ATOM 1217 CG LYS A 81 11.331 -2.398 1.165 1.00 0.00 C ATOM 1218 CD LYS A 81 11.469 -1.218 0.184 1.00 0.00 C ATOM 1219 CE LYS A 81 10.261 -1.055 -0.751 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.114 -2.191 -1.697 1.00 0.00 N ATOM 0 H LYS A 81 11.064 -5.007 3.032 1.00 0.00 H new ATOM 0 HA LYS A 81 12.365 -2.915 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.860 -1.116 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.146 -2.192 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.723 -3.303 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.276 -2.577 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.606 -0.298 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.367 -1.358 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.354 -0.964 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.365 -0.128 -1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.285 -2.032 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.967 -2.264 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.987 -3.074 -1.162 1.00 0.00 H new ATOM 1234 N ASN A 82 10.026 -1.766 4.780 1.00 0.00 N ATOM 1235 CA ASN A 82 8.676 -1.238 5.022 1.00 0.00 C ATOM 1236 C ASN A 82 8.623 0.269 4.731 1.00 0.00 C ATOM 1237 O ASN A 82 9.654 0.945 4.777 1.00 0.00 O ATOM 1238 CB ASN A 82 8.257 -1.548 6.474 1.00 0.00 C ATOM 1239 CG ASN A 82 6.749 -1.609 6.689 1.00 0.00 C ATOM 1240 OD1 ASN A 82 5.967 -1.916 5.799 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.299 -1.365 7.896 1.00 0.00 N ATOM 0 H ASN A 82 10.765 -1.198 5.195 1.00 0.00 H new ATOM 0 HA ASN A 82 7.971 -1.723 4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.694 -2.501 6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.676 -0.787 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.300 -1.431 8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.948 -1.109 8.640 1.00 0.00 H new ATOM 1248 N THR A 83 7.418 0.792 4.493 1.00 0.00 N ATOM 1249 CA THR A 83 7.173 2.210 4.200 1.00 0.00 C ATOM 1250 C THR A 83 6.189 2.798 5.209 1.00 0.00 C ATOM 1251 O THR A 83 4.971 2.738 5.011 1.00 0.00 O ATOM 1252 CB THR A 83 6.665 2.405 2.761 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.520 1.764 1.838 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.635 3.893 2.425 1.00 0.00 C ATOM 0 H THR A 83 6.566 0.231 4.498 1.00 0.00 H new ATOM 0 HA THR A 83 8.120 2.742 4.288 1.00 0.00 H new ATOM 0 HB THR A 83 5.666 1.975 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.179 1.898 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.275 4.029 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.969 4.409 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.640 4.306 2.513 1.00 0.00 H new ATOM 1262 N PHE A 84 6.714 3.340 6.311 1.00 0.00 N ATOM 1263 CA PHE A 84 5.916 3.965 7.366 1.00 0.00 C ATOM 1264 C PHE A 84 5.455 5.367 6.953 1.00 0.00 C ATOM 1265 O PHE A 84 6.267 6.259 6.694 1.00 0.00 O ATOM 1266 CB PHE A 84 6.662 4.022 8.701 1.00 0.00 C ATOM 1267 CG PHE A 84 7.045 2.685 9.296 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.054 1.815 9.792 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.404 2.336 9.395 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.429 0.608 10.411 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.769 1.100 9.959 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.786 0.250 10.496 1.00 0.00 C ATOM 0 H PHE A 84 7.717 3.357 6.497 1.00 0.00 H new ATOM 0 HA PHE A 84 5.038 3.335 7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.569 4.611 8.565 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.041 4.555 9.421 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.010 2.074 9.697 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.165 3.015 9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.673 -0.045 10.822 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.807 0.803 9.980 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.073 -0.676 10.973 1.00 0.00 H new ATOM 1282 N ILE A 85 4.138 5.554 6.909 1.00 0.00 N ATOM 1283 CA ILE A 85 3.465 6.833 6.672 1.00 0.00 C ATOM 1284 C ILE A 85 3.103 7.428 8.038 1.00 0.00 C ATOM 1285 O ILE A 85 2.273 6.863 8.756 1.00 0.00 O ATOM 1286 CB ILE A 85 2.217 6.591 5.790 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.619 6.075 4.388 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.335 7.844 5.653 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.425 5.509 3.614 1.00 0.00 C ATOM 0 H ILE A 85 3.480 4.786 7.043 1.00 0.00 H new ATOM 0 HA ILE A 85 4.106 7.538 6.142 1.00 0.00 H new ATOM 0 HB ILE A 85 1.627 5.829 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.066 6.889 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.381 5.303 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.474 7.616 5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.991 8.157 6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.914 8.648 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.758 5.160 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.993 4.676 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.673 6.288 3.485 1.00 0.00 H new ATOM 1301 N TYR A 86 3.720 8.545 8.430 1.00 0.00 N ATOM 1302 CA TYR A 86 3.252 9.326 9.577 1.00 0.00 C ATOM 1303 C TYR A 86 2.068 10.215 9.154 1.00 0.00 C ATOM 1304 O TYR A 86 2.255 11.343 8.689 1.00 0.00 O ATOM 1305 CB TYR A 86 4.421 10.098 10.204 1.00 0.00 C ATOM 1306 CG TYR A 86 4.125 10.968 11.421 1.00 0.00 C ATOM 1307 CD1 TYR A 86 2.935 10.836 12.170 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.073 11.940 11.804 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.677 11.700 13.248 1.00 0.00 C ATOM 1310 CE2 TYR A 86 4.825 12.796 12.894 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.617 12.685 13.616 1.00 0.00 C ATOM 1312 OH TYR A 86 3.352 13.519 14.660 1.00 0.00 O ATOM 0 H TYR A 86 4.545 8.929 7.970 1.00 0.00 H new ATOM 0 HA TYR A 86 2.876 8.667 10.359 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.187 9.376 10.487 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.853 10.736 9.433 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.220 10.068 11.913 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.999 12.028 11.255 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.752 11.609 13.799 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.558 13.537 13.177 1.00 0.00 H new ATOM 0 HH TYR A 86 4.102 14.138 14.783 1.00 0.00 H new ATOM 1322 N SER A 87 0.841 9.692 9.264 1.00 0.00 N ATOM 1323 CA SER A 87 -0.410 10.431 9.007 1.00 0.00 C ATOM 1324 C SER A 87 -1.581 9.942 9.866 1.00 0.00 C ATOM 1325 O SER A 87 -1.607 8.798 10.327 1.00 0.00 O ATOM 1326 CB SER A 87 -0.826 10.295 7.535 1.00 0.00 C ATOM 1327 OG SER A 87 0.165 10.833 6.684 1.00 0.00 O ATOM 0 H SER A 87 0.682 8.723 9.540 1.00 0.00 H new ATOM 0 HA SER A 87 -0.196 11.469 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.989 9.245 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.772 10.810 7.370 1.00 0.00 H new ATOM 0 HG SER A 87 -0.185 11.633 6.239 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.599 10.798 10.021 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.934 10.427 10.517 1.00 0.00 C ATOM 1335 C ARG A 88 -4.701 9.598 9.475 1.00 0.00 C ATOM 1336 O ARG A 88 -4.349 9.641 8.297 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.699 11.713 10.888 1.00 0.00 C ATOM 1338 CG ARG A 88 -4.311 12.151 12.304 1.00 0.00 C ATOM 1339 CD ARG A 88 -5.162 13.332 12.791 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.299 13.314 14.263 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.174 12.622 14.977 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -7.125 11.920 14.425 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.111 12.619 16.277 1.00 0.00 N ATOM 0 H ARG A 88 -2.517 11.791 9.801 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.833 9.801 11.404 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.467 12.504 10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.773 11.538 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.429 11.311 12.989 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.258 12.431 12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.704 14.270 12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.149 13.289 12.330 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.648 13.899 14.786 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.214 11.891 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.780 11.400 15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.384 13.152 16.754 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.789 12.083 16.819 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.784 8.899 9.862 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.606 8.143 8.916 1.00 0.00 C ATOM 1359 C PRO A 89 -7.420 9.017 7.951 1.00 0.00 C ATOM 1360 O PRO A 89 -7.763 8.563 6.864 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.523 7.278 9.788 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.620 8.044 11.105 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.235 8.669 11.231 1.00 0.00 C ATOM 0 HA PRO A 89 -5.968 7.556 8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.503 7.149 9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.107 6.281 9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.405 8.800 11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.844 7.383 11.942 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.275 9.602 11.793 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.552 8.006 11.763 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.726 10.268 8.308 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.580 11.167 7.516 1.00 0.00 C ATOM 1373 C GLU A 90 -7.991 11.493 6.125 1.00 0.00 C ATOM 1374 O GLU A 90 -8.649 11.176 5.130 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.932 12.432 8.320 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.877 12.121 9.488 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.178 13.389 10.308 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -11.140 14.124 9.972 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.456 13.657 11.300 1.00 0.00 O ATOM 0 H GLU A 90 -7.383 10.694 9.169 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.508 10.633 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.018 12.885 8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.398 13.164 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.808 11.702 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.428 11.365 10.132 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.758 12.035 5.997 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.147 12.335 4.694 1.00 0.00 C ATOM 1388 C PRO A 91 -5.748 11.100 3.868 1.00 0.00 C ATOM 1389 O PRO A 91 -5.242 11.251 2.759 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.914 13.190 5.008 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.515 12.752 6.412 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.857 12.445 7.070 1.00 0.00 C ATOM 0 HA PRO A 91 -6.880 12.843 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.112 13.014 4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.146 14.254 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.865 11.877 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.976 13.537 6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.753 11.655 7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.245 13.322 7.589 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.975 9.892 4.390 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.722 8.600 3.737 1.00 0.00 C ATOM 1402 C VAL A 92 -7.042 8.006 3.236 1.00 0.00 C ATOM 1403 O VAL A 92 -7.186 7.732 2.046 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.982 7.652 4.709 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.523 6.376 3.996 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.739 8.291 5.355 1.00 0.00 C ATOM 0 H VAL A 92 -6.360 9.780 5.328 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.077 8.741 2.870 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.709 7.426 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.006 5.729 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.390 5.853 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.846 6.637 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.267 7.572 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.032 8.580 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.036 9.174 5.921 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.045 7.856 4.108 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.364 7.307 3.752 1.00 0.00 C ATOM 1418 C LYS A 93 -10.149 8.215 2.800 1.00 0.00 C ATOM 1419 O LYS A 93 -10.707 7.738 1.814 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.192 6.993 5.016 1.00 0.00 C ATOM 1421 CG LYS A 93 -11.015 5.704 4.825 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.343 5.631 5.594 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.209 5.545 7.117 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.087 6.867 7.785 1.00 0.00 N ATOM 0 H LYS A 93 -7.966 8.114 5.092 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.177 6.377 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.528 6.882 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.859 7.827 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.227 5.586 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.399 4.856 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.937 6.511 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.900 4.762 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.078 5.024 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.334 4.943 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.086 6.736 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.199 7.323 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.891 7.469 7.514 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.180 9.521 3.082 1.00 0.00 N ATOM 1439 CA ALA A 94 -11.010 10.503 2.378 1.00 0.00 C ATOM 1440 C ALA A 94 -10.490 10.896 0.982 1.00 0.00 C ATOM 1441 O ALA A 94 -11.163 11.643 0.266 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.164 11.742 3.263 1.00 0.00 C ATOM 0 H ALA A 94 -9.615 9.934 3.824 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.974 10.029 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.780 12.481 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.640 11.461 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.182 12.167 3.467 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.320 10.383 0.567 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.824 10.496 -0.815 1.00 0.00 C ATOM 1450 C ILE A 95 -9.885 9.990 -1.816 1.00 0.00 C ATOM 1451 O ILE A 95 -10.062 10.580 -2.885 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.483 9.743 -1.005 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.410 10.177 0.019 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.922 9.983 -2.419 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.166 9.276 0.032 1.00 0.00 C ATOM 0 H ILE A 95 -8.687 9.875 1.185 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.636 11.551 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.704 8.687 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.104 11.200 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.853 10.184 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.980 9.446 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.636 9.624 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.752 11.049 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.458 9.643 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.458 8.256 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.698 9.288 -0.952 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.642 8.949 -1.440 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.793 8.441 -2.184 1.00 0.00 C ATOM 1469 C CYS A 96 -13.136 8.690 -1.470 1.00 0.00 C ATOM 1470 O CYS A 96 -13.202 8.851 -0.248 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.583 6.952 -2.474 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.298 5.857 -1.061 1.00 0.00 S ATOM 0 H CYS A 96 -10.461 8.425 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.857 8.995 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.459 6.587 -3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.733 6.858 -3.149 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.223 8.693 -2.257 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.618 8.894 -1.827 1.00 0.00 C ATOM 1479 C LYS A 97 -16.574 8.243 -2.836 1.00 0.00 C ATOM 1480 O LYS A 97 -16.717 8.730 -3.957 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.875 10.407 -1.644 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.203 10.766 -0.951 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.401 10.896 -1.905 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.620 11.428 -1.140 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.778 11.656 -2.044 1.00 0.00 N ATOM 0 H LYS A 97 -14.150 8.548 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.800 8.411 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.055 10.831 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.854 10.884 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.428 10.003 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.077 11.707 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.153 11.569 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.632 9.927 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.900 10.718 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.358 12.361 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.583 12.015 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.518 12.352 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.043 10.760 -2.501 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.174 7.109 -2.469 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.107 6.348 -3.319 1.00 0.00 C ATOM 1501 C GLY A 98 -17.437 5.358 -4.283 1.00 0.00 C ATOM 1502 O GLY A 98 -18.125 4.715 -5.074 1.00 0.00 O ATOM 0 H GLY A 98 -17.025 6.681 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.796 5.799 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.704 7.051 -3.899 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.107 5.219 -4.230 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.322 4.334 -5.104 1.00 0.00 C ATOM 1508 C ILE A 99 -15.464 2.869 -4.668 1.00 0.00 C ATOM 1509 O ILE A 99 -15.044 2.475 -3.577 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.846 4.788 -5.186 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.780 6.215 -5.790 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.029 3.791 -6.029 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.370 6.780 -5.996 1.00 0.00 C ATOM 0 H ILE A 99 -15.531 5.731 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.724 4.406 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.414 4.812 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.294 6.208 -6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.332 6.892 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.992 4.122 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.073 2.804 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.443 3.741 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.438 7.781 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.854 6.828 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.814 6.133 -6.675 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.050 2.058 -5.549 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.185 0.593 -5.437 1.00 0.00 C ATOM 1527 C ILE A 100 -15.203 -0.125 -6.396 1.00 0.00 C ATOM 1528 O ILE A 100 -14.854 -1.288 -6.203 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.670 0.194 -5.678 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.623 1.063 -4.817 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.903 -1.278 -5.313 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.114 0.708 -4.880 1.00 0.00 C ATOM 0 H ILE A 100 -16.467 2.417 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.915 0.270 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.879 0.353 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.300 0.997 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.506 2.103 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.947 -1.536 -5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.264 -1.911 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.663 -1.434 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.677 1.385 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.468 0.805 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.258 -0.318 -4.541 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.691 0.596 -7.399 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.964 0.116 -8.580 1.00 0.00 C ATOM 1546 C ALA A 101 -12.523 -0.407 -8.352 1.00 0.00 C ATOM 1547 O ALA A 101 -11.816 -0.657 -9.331 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.973 1.269 -9.597 1.00 0.00 C ATOM 0 H ALA A 101 -14.781 1.612 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.481 -0.777 -8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.442 0.963 -10.499 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.002 1.523 -9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.481 2.140 -9.164 1.00 0.00 H new ATOM 1554 N SER A 102 -12.062 -0.573 -7.104 1.00 0.00 N ATOM 1555 CA SER A 102 -10.671 -0.937 -6.764 1.00 0.00 C ATOM 1556 C SER A 102 -9.613 -0.042 -7.454 1.00 0.00 C ATOM 1557 O SER A 102 -8.786 -0.522 -8.237 1.00 0.00 O ATOM 1558 CB SER A 102 -10.454 -2.437 -7.014 1.00 0.00 C ATOM 1559 OG SER A 102 -9.248 -2.887 -6.414 1.00 0.00 O ATOM 0 H SER A 102 -12.655 -0.456 -6.282 1.00 0.00 H new ATOM 0 HA SER A 102 -10.523 -0.744 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.296 -3.001 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.424 -2.629 -8.086 1.00 0.00 H new ATOM 0 HG SER A 102 -9.134 -3.845 -6.587 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.620 1.272 -7.162 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.639 2.275 -7.642 1.00 0.00 C ATOM 1567 C LYS A 103 -8.601 3.501 -6.720 1.00 0.00 C ATOM 1568 O LYS A 103 -9.577 3.775 -6.038 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.983 2.668 -9.095 1.00 0.00 C ATOM 1570 CG LYS A 103 -7.886 3.530 -9.746 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.013 3.587 -11.273 1.00 0.00 C ATOM 1572 CE LYS A 103 -6.878 4.449 -11.846 1.00 0.00 C ATOM 1573 NZ LYS A 103 -6.888 4.459 -13.333 1.00 0.00 N ATOM 0 H LYS A 103 -10.335 1.684 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.641 1.837 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.131 1.765 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.926 3.215 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.936 4.541 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.908 3.129 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.968 2.581 -11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.980 4.005 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.974 5.469 -11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.919 4.070 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.107 5.051 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.771 3.488 -13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.793 4.844 -13.671 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.497 4.243 -6.662 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.424 5.565 -6.022 1.00 0.00 C ATOM 1589 C ASN A 104 -6.598 6.557 -6.865 1.00 0.00 C ATOM 1590 O ASN A 104 -6.218 6.261 -8.002 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.854 5.402 -4.597 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.515 6.297 -3.560 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.095 7.323 -3.870 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.438 5.934 -2.300 1.00 0.00 N ATOM 0 H ASN A 104 -6.609 3.941 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.426 5.988 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.966 4.362 -4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.785 5.615 -4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.865 6.512 -1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.951 5.074 -2.046 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.298 7.727 -6.298 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.410 8.752 -6.863 1.00 0.00 C ATOM 1603 C VAL A 105 -4.287 9.031 -5.858 1.00 0.00 C ATOM 1604 O VAL A 105 -4.523 9.051 -4.649 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.199 10.042 -7.190 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.351 11.040 -7.988 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.458 9.761 -8.026 1.00 0.00 C ATOM 0 H VAL A 105 -6.682 8.000 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.980 8.393 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.476 10.458 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.941 11.932 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.470 11.315 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.038 10.583 -8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.977 10.698 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.172 9.293 -8.968 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.119 9.092 -7.475 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.064 9.250 -6.343 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.938 9.754 -5.549 1.00 0.00 C ATOM 1619 C LEU A 106 -2.317 11.028 -4.765 1.00 0.00 C ATOM 1620 O LEU A 106 -3.006 11.909 -5.289 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.769 10.035 -6.518 1.00 0.00 C ATOM 1622 CG LEU A 106 0.535 10.540 -5.877 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.249 9.429 -5.123 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.455 11.098 -6.959 1.00 0.00 C ATOM 0 H LEU A 106 -2.822 9.079 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.651 9.009 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.550 9.118 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.100 10.772 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 106 0.281 11.324 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.166 9.820 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.600 9.050 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.493 8.620 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.378 11.455 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.686 10.314 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.959 11.924 -7.468 1.00 0.00 H new ATOM 1636 N THR A 107 -1.835 11.150 -3.527 1.00 0.00 N ATOM 1637 CA THR A 107 -1.981 12.390 -2.733 1.00 0.00 C ATOM 1638 C THR A 107 -1.257 13.602 -3.348 1.00 0.00 C ATOM 1639 O THR A 107 -0.465 13.496 -4.283 1.00 0.00 O ATOM 1640 CB THR A 107 -1.516 12.225 -1.269 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.840 11.018 -1.029 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.700 12.266 -0.306 1.00 0.00 C ATOM 0 H THR A 107 -1.335 10.404 -3.042 1.00 0.00 H new ATOM 0 HA THR A 107 -3.053 12.585 -2.747 1.00 0.00 H new ATOM 0 HB THR A 107 -0.833 13.058 -1.102 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.571 10.975 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.342 12.147 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.214 13.222 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.391 11.457 -0.544 1.00 0.00 H new ATOM 1650 N THR A 108 -1.506 14.783 -2.785 1.00 0.00 N ATOM 1651 CA THR A 108 -1.001 16.090 -3.231 1.00 0.00 C ATOM 1652 C THR A 108 -0.122 16.790 -2.188 1.00 0.00 C ATOM 1653 O THR A 108 0.805 17.518 -2.545 1.00 0.00 O ATOM 1654 CB THR A 108 -2.194 16.999 -3.540 1.00 0.00 C ATOM 1655 OG1 THR A 108 -3.122 16.972 -2.470 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.926 16.567 -4.811 1.00 0.00 C ATOM 0 H THR A 108 -2.098 14.863 -1.959 1.00 0.00 H new ATOM 0 HA THR A 108 -0.383 15.909 -4.111 1.00 0.00 H new ATOM 0 HB THR A 108 -1.796 18.004 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.879 17.558 -2.679 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.765 17.238 -4.994 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.240 16.606 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.296 15.549 -4.690 1.00 0.00 H new ATOM 1664 N SER A 109 -0.394 16.554 -0.901 1.00 0.00 N ATOM 1665 CA SER A 109 0.378 17.058 0.247 1.00 0.00 C ATOM 1666 C SER A 109 1.636 16.217 0.511 1.00 0.00 C ATOM 1667 O SER A 109 1.825 15.151 -0.075 1.00 0.00 O ATOM 1668 CB SER A 109 -0.511 17.083 1.499 1.00 0.00 C ATOM 1669 OG SER A 109 -1.559 18.029 1.347 1.00 0.00 O ATOM 0 H SER A 109 -1.190 15.984 -0.615 1.00 0.00 H new ATOM 0 HA SER A 109 0.707 18.069 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.930 16.092 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.089 17.334 2.373 1.00 0.00 H new ATOM 0 HG SER A 109 -2.117 18.031 2.153 1.00 0.00 H new ATOM 1675 N GLU A 110 2.505 16.685 1.407 1.00 0.00 N ATOM 1676 CA GLU A 110 3.789 16.054 1.738 1.00 0.00 C ATOM 1677 C GLU A 110 3.837 15.635 3.218 1.00 0.00 C ATOM 1678 O GLU A 110 3.861 16.478 4.117 1.00 0.00 O ATOM 1679 CB GLU A 110 4.958 16.973 1.347 1.00 0.00 C ATOM 1680 CG GLU A 110 4.857 17.464 -0.106 1.00 0.00 C ATOM 1681 CD GLU A 110 6.172 18.095 -0.605 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.640 19.096 -0.007 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.729 17.615 -1.621 1.00 0.00 O ATOM 0 H GLU A 110 2.333 17.538 1.939 1.00 0.00 H new ATOM 0 HA GLU A 110 3.889 15.139 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.981 17.832 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.898 16.438 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.590 16.627 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.053 18.196 -0.184 1.00 0.00 H new ATOM 1690 N PHE A 111 3.812 14.323 3.466 1.00 0.00 N ATOM 1691 CA PHE A 111 3.717 13.701 4.793 1.00 0.00 C ATOM 1692 C PHE A 111 5.078 13.135 5.216 1.00 0.00 C ATOM 1693 O PHE A 111 5.943 12.905 4.366 1.00 0.00 O ATOM 1694 CB PHE A 111 2.657 12.585 4.755 1.00 0.00 C ATOM 1695 CG PHE A 111 1.343 12.965 4.089 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.230 12.873 2.690 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.231 13.383 4.845 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.032 13.212 2.049 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.980 13.703 4.204 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.078 13.620 2.803 1.00 0.00 C ATOM 0 H PHE A 111 3.859 13.633 2.716 1.00 0.00 H new ATOM 0 HA PHE A 111 3.421 14.453 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.076 11.725 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.450 12.267 5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.074 12.538 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.308 13.458 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.037 13.159 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.834 14.012 4.788 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.006 13.870 2.309 1.00 0.00 H new ATOM 1710 N TYR A 112 5.280 12.886 6.515 1.00 0.00 N ATOM 1711 CA TYR A 112 6.549 12.354 7.022 1.00 0.00 C ATOM 1712 C TYR A 112 6.716 10.886 6.611 1.00 0.00 C ATOM 1713 O TYR A 112 6.000 10.003 7.095 1.00 0.00 O ATOM 1714 CB TYR A 112 6.659 12.552 8.541 1.00 0.00 C ATOM 1715 CG TYR A 112 7.695 13.584 8.939 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.410 14.955 8.804 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.950 13.166 9.421 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.377 15.915 9.162 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.919 14.124 9.786 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.634 15.501 9.657 1.00 0.00 C ATOM 1721 OH TYR A 112 10.576 16.420 10.009 1.00 0.00 O ATOM 0 H TYR A 112 4.577 13.045 7.237 1.00 0.00 H new ATOM 0 HA TYR A 112 7.370 12.912 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.687 12.854 8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.908 11.599 9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.449 15.272 8.426 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.171 12.113 9.511 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.158 16.967 9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.879 13.804 10.164 1.00 0.00 H new ATOM 0 HH TYR A 112 11.379 15.959 10.329 1.00 0.00 H new ATOM 1731 N LEU A 113 7.644 10.638 5.685 1.00 0.00 N ATOM 1732 CA LEU A 113 7.913 9.323 5.110 1.00 0.00 C ATOM 1733 C LEU A 113 9.155 8.668 5.729 1.00 0.00 C ATOM 1734 O LEU A 113 10.248 9.241 5.762 1.00 0.00 O ATOM 1735 CB LEU A 113 8.020 9.442 3.579 1.00 0.00 C ATOM 1736 CG LEU A 113 6.973 8.621 2.819 1.00 0.00 C ATOM 1737 CD1 LEU A 113 7.059 7.127 3.103 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.542 9.102 3.064 1.00 0.00 C ATOM 0 H LEU A 113 8.245 11.369 5.305 1.00 0.00 H new ATOM 0 HA LEU A 113 7.079 8.662 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.920 10.490 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.014 9.122 3.268 1.00 0.00 H new ATOM 0 HG LEU A 113 7.217 8.784 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.291 6.604 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.042 6.757 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.906 6.950 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.847 8.481 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.311 9.030 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.446 10.139 2.742 1.00 0.00 H new ATOM 1750 N SER A 114 8.973 7.442 6.215 1.00 0.00 N ATOM 1751 CA SER A 114 9.971 6.668 6.954 1.00 0.00 C ATOM 1752 C SER A 114 10.113 5.277 6.334 1.00 0.00 C ATOM 1753 O SER A 114 9.367 4.344 6.636 1.00 0.00 O ATOM 1754 CB SER A 114 9.589 6.650 8.436 1.00 0.00 C ATOM 1755 OG SER A 114 10.445 5.801 9.179 1.00 0.00 O ATOM 0 H SER A 114 8.092 6.940 6.101 1.00 0.00 H new ATOM 0 HA SER A 114 10.956 7.129 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.638 7.662 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.558 6.314 8.544 1.00 0.00 H new ATOM 0 HG SER A 114 9.955 5.428 9.941 1.00 0.00 H new ATOM 1761 N ASP A 115 11.044 5.149 5.393 1.00 0.00 N ATOM 1762 CA ASP A 115 11.471 3.862 4.849 1.00 0.00 C ATOM 1763 C ASP A 115 12.511 3.204 5.778 1.00 0.00 C ATOM 1764 O ASP A 115 13.187 3.866 6.572 1.00 0.00 O ATOM 1765 CB ASP A 115 12.094 4.070 3.460 1.00 0.00 C ATOM 1766 CG ASP A 115 11.133 4.698 2.438 1.00 0.00 C ATOM 1767 OD1 ASP A 115 11.026 5.946 2.387 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.527 3.936 1.649 1.00 0.00 O ATOM 0 H ASP A 115 11.530 5.946 4.981 1.00 0.00 H new ATOM 0 HA ASP A 115 10.601 3.211 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.973 4.707 3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.438 3.109 3.079 1.00 0.00 H new ATOM 1773 N CYS A 116 12.715 1.896 5.626 1.00 0.00 N ATOM 1774 CA CYS A 116 13.946 1.220 6.054 1.00 0.00 C ATOM 1775 C CYS A 116 14.188 -0.003 5.173 1.00 0.00 C ATOM 1776 O CYS A 116 13.272 -0.803 4.994 1.00 0.00 O ATOM 1777 CB CYS A 116 13.873 0.840 7.541 1.00 0.00 C ATOM 1778 SG CYS A 116 15.270 1.507 8.489 1.00 0.00 S ATOM 0 H CYS A 116 12.031 1.270 5.201 1.00 0.00 H new ATOM 0 HA CYS A 116 14.789 1.901 5.939 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.939 1.211 7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 116 13.857 -0.246 7.636 1.00 0.00 H new ATOM 1783 N ASN A 117 15.389 -0.142 4.604 1.00 0.00 N ATOM 1784 CA ASN A 117 15.729 -1.185 3.628 1.00 0.00 C ATOM 1785 C ASN A 117 16.819 -2.098 4.192 1.00 0.00 C ATOM 1786 O ASN A 117 17.774 -1.606 4.793 1.00 0.00 O ATOM 1787 CB ASN A 117 16.184 -0.525 2.312 1.00 0.00 C ATOM 1788 CG ASN A 117 15.049 0.008 1.458 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.665 -0.588 0.466 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.496 1.153 1.787 1.00 0.00 N ATOM 0 H ASN A 117 16.170 0.480 4.813 1.00 0.00 H new ATOM 0 HA ASN A 117 14.851 -1.798 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.864 0.295 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.750 -1.253 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.747 1.541 1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.815 1.654 2.616 1.00 0.00 H new ATOM 1797 N VAL A 118 16.690 -3.415 4.015 1.00 0.00 N ATOM 1798 CA VAL A 118 17.675 -4.399 4.519 1.00 0.00 C ATOM 1799 C VAL A 118 19.073 -4.178 3.915 1.00 0.00 C ATOM 1800 O VAL A 118 19.218 -3.771 2.759 1.00 0.00 O ATOM 1801 CB VAL A 118 17.163 -5.838 4.279 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.229 -6.941 4.367 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.093 -6.193 5.316 1.00 0.00 C ATOM 0 H VAL A 118 15.904 -3.838 3.520 1.00 0.00 H new ATOM 0 HA VAL A 118 17.781 -4.251 5.594 1.00 0.00 H new ATOM 0 HB VAL A 118 16.788 -5.816 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.766 -7.910 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.002 -6.761 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.677 -6.936 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.738 -7.208 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.520 -6.127 6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.259 -5.497 5.231 1.00 0.00 H new ATOM 1813 N THR A 119 20.117 -4.475 4.695 1.00 0.00 N ATOM 1814 CA THR A 119 21.526 -4.486 4.257 1.00 0.00 C ATOM 1815 C THR A 119 22.275 -5.700 4.822 1.00 0.00 C ATOM 1816 O THR A 119 22.604 -5.773 6.009 1.00 0.00 O ATOM 1817 CB THR A 119 22.229 -3.142 4.523 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.570 -3.200 4.092 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.184 -2.637 5.964 1.00 0.00 C ATOM 0 H THR A 119 20.007 -4.722 5.678 1.00 0.00 H new ATOM 0 HA THR A 119 21.539 -4.601 3.173 1.00 0.00 H new ATOM 0 HB THR A 119 21.652 -2.419 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 119 24.007 -2.340 4.265 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.710 -1.685 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.147 -2.501 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.663 -3.364 6.619 1.00 0.00 H new ATOM 1827 N SER A 120 22.461 -6.712 3.966 1.00 0.00 N ATOM 1828 CA SER A 120 23.165 -7.980 4.242 1.00 0.00 C ATOM 1829 C SER A 120 24.679 -7.829 4.476 1.00 0.00 C ATOM 1830 O SER A 120 25.322 -6.921 3.898 1.00 0.00 O ATOM 1831 CB SER A 120 22.882 -8.999 3.131 1.00 0.00 C ATOM 1832 OG SER A 120 23.123 -8.436 1.848 1.00 0.00 O ATOM 1833 OXT SER A 120 25.228 -8.641 5.258 1.00 0.00 O ATOM 0 H SER A 120 22.107 -6.671 3.010 1.00 0.00 H new ATOM 0 HA SER A 120 22.764 -8.344 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 120 23.512 -9.878 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 120 21.847 -9.335 3.196 1.00 0.00 H new ATOM 0 HG SER A 120 22.937 -9.105 1.157 1.00 0.00 H new