USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 166:sc= 0 (180deg=-0.161) USER MOD Single : A 14 ASN :FLIP amide:sc= -1.06 F(o=-1.6,f=-1.1) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.783 F(o=-2.7!,f=-0.78) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 82:sc= 1.23 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.96! C(o=-4.5!,f=-4!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.411 F(o=-1.3,f=-0.41) USER MOD Single : A 31 HIS : no HD1:sc= -4.43! X(o=-4.4!,f=-4.6) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 140:sc= -0.303 (180deg=-1.62!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.34 X(o=-1.3,f=-0.92) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.571 K(o=-0.57,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-5.1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.0722 (180deg=-0.527) USER MOD Single : A 63 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.4!) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.71! F(o=-2.7,f=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.383) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 81 GLN : amide:sc= -0.0149 K(o=-0.015,f=-0.62) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.369 -7.646 -5.850 1.00 0.00 N ATOM 60 CA GLY A 7 -11.024 -8.010 -6.261 1.00 0.00 C ATOM 61 C GLY A 7 -9.976 -7.316 -5.388 1.00 0.00 C ATOM 62 O GLY A 7 -10.162 -7.179 -4.180 1.00 0.00 O ATOM 0 HA2 GLY A 7 -10.900 -9.091 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.872 -7.735 -7.305 1.00 0.00 H new ATOM 66 N PRO A 8 -8.869 -6.887 -6.051 1.00 0.00 N ATOM 67 CA PRO A 8 -7.792 -6.211 -5.348 1.00 0.00 C ATOM 68 C PRO A 8 -8.182 -4.774 -4.998 1.00 0.00 C ATOM 69 O PRO A 8 -9.320 -4.364 -5.221 1.00 0.00 O ATOM 70 CB PRO A 8 -6.599 -6.290 -6.287 1.00 0.00 C ATOM 71 CG PRO A 8 -7.171 -6.593 -7.662 1.00 0.00 C ATOM 72 CD PRO A 8 -8.614 -7.032 -7.481 1.00 0.00 C ATOM 0 HA PRO A 8 -7.560 -6.675 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.044 -5.352 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.905 -7.069 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.118 -5.711 -8.300 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.592 -7.376 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.293 -6.414 -8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.758 -8.062 -7.806 1.00 0.00 H new ATOM 80 N LYS A 9 -7.216 -4.047 -4.455 1.00 0.00 N ATOM 81 CA LYS A 9 -7.445 -2.665 -4.071 1.00 0.00 C ATOM 82 C LYS A 9 -6.121 -1.900 -4.124 1.00 0.00 C ATOM 83 O LYS A 9 -5.946 -0.906 -3.421 1.00 0.00 O ATOM 84 CB LYS A 9 -8.143 -2.594 -2.712 1.00 0.00 C ATOM 85 CG LYS A 9 -7.130 -2.699 -1.569 1.00 0.00 C ATOM 86 CD LYS A 9 -7.056 -1.390 -0.780 1.00 0.00 C ATOM 87 CE LYS A 9 -7.733 -1.533 0.584 1.00 0.00 C ATOM 88 NZ LYS A 9 -8.331 -0.246 1.004 1.00 0.00 N ATOM 0 H LYS A 9 -6.273 -4.390 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.122 -2.181 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.693 -1.657 -2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.873 -3.400 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.412 -3.514 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.146 -2.942 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.014 -1.102 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.536 -0.592 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.505 -2.301 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.005 -1.861 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.786 -0.361 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.587 0.477 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.041 0.052 0.305 1.00 0.00 H new ATOM 102 N LYS A 10 -5.222 -2.393 -4.963 1.00 0.00 N ATOM 103 CA LYS A 10 -3.919 -1.768 -5.117 1.00 0.00 C ATOM 104 C LYS A 10 -3.184 -1.797 -3.775 1.00 0.00 C ATOM 105 O LYS A 10 -3.483 -1.006 -2.882 1.00 0.00 O ATOM 106 CB LYS A 10 -4.064 -0.365 -5.709 1.00 0.00 C ATOM 107 CG LYS A 10 -2.866 -0.016 -6.593 1.00 0.00 C ATOM 108 CD LYS A 10 -3.238 -0.090 -8.075 1.00 0.00 C ATOM 109 CE LYS A 10 -4.367 0.889 -8.406 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.976 1.771 -9.528 1.00 0.00 N ATOM 0 H LYS A 10 -5.370 -3.218 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.310 -2.326 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.982 -0.307 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.152 0.365 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.512 0.987 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.045 -0.702 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.364 0.138 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.546 -1.105 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.270 0.337 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.604 1.490 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.753 2.429 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.127 2.311 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.773 1.194 -10.369 1.00 0.00 H new ATOM 124 N PRO A 11 -2.210 -2.741 -3.674 1.00 0.00 N ATOM 125 CA PRO A 11 -1.430 -2.884 -2.457 1.00 0.00 C ATOM 126 C PRO A 11 -0.400 -1.759 -2.331 1.00 0.00 C ATOM 127 O PRO A 11 -0.237 -0.956 -3.248 1.00 0.00 O ATOM 128 CB PRO A 11 -0.795 -4.261 -2.555 1.00 0.00 C ATOM 129 CG PRO A 11 -0.866 -4.649 -4.023 1.00 0.00 C ATOM 130 CD PRO A 11 -1.828 -3.695 -4.712 1.00 0.00 C ATOM 0 HA PRO A 11 -2.038 -2.804 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.237 -4.241 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.327 -4.982 -1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.121 -4.592 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.208 -5.679 -4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.353 -3.194 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.697 -4.223 -5.104 1.00 0.00 H new ATOM 138 N PRO A 12 0.287 -1.737 -1.157 1.00 0.00 N ATOM 139 CA PRO A 12 1.296 -0.724 -0.900 1.00 0.00 C ATOM 140 C PRO A 12 2.577 -1.015 -1.684 1.00 0.00 C ATOM 141 O PRO A 12 2.624 -1.954 -2.477 1.00 0.00 O ATOM 142 CB PRO A 12 1.502 -0.748 0.606 1.00 0.00 C ATOM 143 CG PRO A 12 0.949 -2.082 1.081 1.00 0.00 C ATOM 144 CD PRO A 12 0.121 -2.672 -0.048 1.00 0.00 C ATOM 0 HA PRO A 12 0.990 0.268 -1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.558 -0.651 0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.983 0.083 1.084 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.761 -2.757 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.337 -1.946 1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.470 -3.669 -0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.927 -2.766 0.237 1.00 0.00 H new ATOM 152 N MET A 13 3.586 -0.192 -1.434 1.00 0.00 N ATOM 153 CA MET A 13 4.864 -0.350 -2.106 1.00 0.00 C ATOM 154 C MET A 13 6.020 0.052 -1.188 1.00 0.00 C ATOM 155 O MET A 13 5.872 0.940 -0.350 1.00 0.00 O ATOM 156 CB MET A 13 4.888 0.518 -3.366 1.00 0.00 C ATOM 157 CG MET A 13 4.836 2.005 -3.010 1.00 0.00 C ATOM 158 SD MET A 13 5.604 2.970 -4.300 1.00 0.00 S ATOM 159 CE MET A 13 4.497 2.614 -5.654 1.00 0.00 C ATOM 0 H MET A 13 3.544 0.586 -0.775 1.00 0.00 H new ATOM 0 HA MET A 13 4.985 -1.400 -2.374 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.792 0.309 -3.938 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.041 0.263 -4.003 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.801 2.319 -2.877 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.346 2.178 -2.062 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.676 3.319 -6.465 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.673 1.599 -6.010 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.465 2.706 -5.314 1.00 0.00 H new ATOM 169 N ASN A 14 7.145 -0.622 -1.376 1.00 0.00 N ATOM 170 CA ASN A 14 8.325 -0.347 -0.575 1.00 0.00 C ATOM 171 C ASN A 14 8.133 -0.933 0.825 1.00 0.00 C ATOM 172 O ASN A 14 8.900 -1.794 1.252 1.00 0.00 O ATOM 173 CB ASN A 14 8.554 1.158 -0.431 1.00 0.00 C ATOM 174 CG ASN A 14 8.340 1.876 -1.765 1.00 0.00 C ATOM 175 OD1 ASN A 14 7.559 2.949 -1.683 1.00 0.00 O flip ATOM 176 ND2 ASN A 14 8.851 1.481 -2.801 1.00 0.00 N flip ATOM 0 H ASN A 14 7.264 -1.358 -2.072 1.00 0.00 H new ATOM 0 HA ASN A 14 9.184 -0.796 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.873 1.563 0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.567 1.343 -0.073 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.441 0.649 -2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.688 1.983 -3.674 1.00 0.00 H new ATOM 183 N GLY A 15 7.106 -0.441 1.502 1.00 0.00 N ATOM 184 CA GLY A 15 6.803 -0.905 2.845 1.00 0.00 C ATOM 185 C GLY A 15 6.281 0.240 3.716 1.00 0.00 C ATOM 186 O GLY A 15 5.580 0.007 4.700 1.00 0.00 O ATOM 0 H GLY A 15 6.473 0.275 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.059 -1.700 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.699 -1.331 3.297 1.00 0.00 H new ATOM 190 N TYR A 16 6.641 1.453 3.322 1.00 0.00 N ATOM 191 CA TYR A 16 6.217 2.634 4.053 1.00 0.00 C ATOM 192 C TYR A 16 4.700 2.818 3.966 1.00 0.00 C ATOM 193 O TYR A 16 4.056 3.166 4.955 1.00 0.00 O ATOM 194 CB TYR A 16 6.903 3.820 3.373 1.00 0.00 C ATOM 195 CG TYR A 16 6.321 5.182 3.760 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.150 5.505 5.091 1.00 0.00 C ATOM 197 CD2 TYR A 16 5.967 6.086 2.779 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.603 6.786 5.456 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.420 7.367 3.144 1.00 0.00 C ATOM 200 CZ TYR A 16 5.265 7.654 4.464 1.00 0.00 C ATOM 201 OH TYR A 16 4.748 8.863 4.809 1.00 0.00 O ATOM 0 H TYR A 16 7.222 1.643 2.505 1.00 0.00 H new ATOM 0 HA TYR A 16 6.480 2.548 5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.964 3.805 3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.829 3.699 2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.426 4.797 5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.100 5.833 1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.464 7.052 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.139 8.084 2.386 1.00 0.00 H new ATOM 0 HH TYR A 16 4.554 9.379 3.999 1.00 0.00 H new ATOM 211 N GLN A 17 4.175 2.576 2.775 1.00 0.00 N ATOM 212 CA GLN A 17 2.746 2.711 2.546 1.00 0.00 C ATOM 213 C GLN A 17 1.978 1.663 3.354 1.00 0.00 C ATOM 214 O GLN A 17 0.839 1.897 3.757 1.00 0.00 O ATOM 215 CB GLN A 17 2.417 2.604 1.055 1.00 0.00 C ATOM 216 CG GLN A 17 2.684 3.929 0.338 1.00 0.00 C ATOM 217 CD GLN A 17 1.996 3.961 -1.028 1.00 0.00 C ATOM 218 OE1 GLN A 17 1.951 2.781 -1.639 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 1.536 4.990 -1.496 1.00 0.00 N flip ATOM 0 H GLN A 17 4.713 2.287 1.958 1.00 0.00 H new ATOM 0 HA GLN A 17 2.435 3.700 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.017 1.814 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.372 2.322 0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.325 4.757 0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.758 4.069 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.604 5.863 -0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.083 4.977 -2.410 1.00 0.00 H new ATOM 228 N LYS A 18 2.632 0.530 3.566 1.00 0.00 N ATOM 229 CA LYS A 18 2.024 -0.554 4.319 1.00 0.00 C ATOM 230 C LYS A 18 1.733 -0.080 5.744 1.00 0.00 C ATOM 231 O LYS A 18 0.586 -0.106 6.188 1.00 0.00 O ATOM 232 CB LYS A 18 2.901 -1.807 4.255 1.00 0.00 C ATOM 233 CG LYS A 18 2.571 -2.766 5.401 1.00 0.00 C ATOM 234 CD LYS A 18 1.095 -3.168 5.372 1.00 0.00 C ATOM 235 CE LYS A 18 0.943 -4.686 5.257 1.00 0.00 C ATOM 236 NZ LYS A 18 0.021 -5.194 6.298 1.00 0.00 N ATOM 0 H LYS A 18 3.576 0.339 3.230 1.00 0.00 H new ATOM 0 HA LYS A 18 1.069 -0.837 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.752 -2.311 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.952 -1.523 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.196 -3.656 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.804 -2.292 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.601 -2.817 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.599 -2.684 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.564 -4.946 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.917 -5.164 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.071 -6.226 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.398 -4.962 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.913 -4.751 6.181 1.00 0.00 H new ATOM 250 N PHE A 19 2.791 0.343 6.421 1.00 0.00 N ATOM 251 CA PHE A 19 2.662 0.822 7.786 1.00 0.00 C ATOM 252 C PHE A 19 1.656 1.972 7.872 1.00 0.00 C ATOM 253 O PHE A 19 0.874 2.048 8.818 1.00 0.00 O ATOM 254 CB PHE A 19 4.040 1.334 8.212 1.00 0.00 C ATOM 255 CG PHE A 19 4.010 2.271 9.421 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.640 1.795 10.641 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.352 3.579 9.277 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.612 2.664 11.763 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.324 4.448 10.400 1.00 0.00 C ATOM 260 CZ PHE A 19 3.955 3.972 11.619 1.00 0.00 C ATOM 0 H PHE A 19 3.741 0.364 6.049 1.00 0.00 H new ATOM 0 HA PHE A 19 2.309 0.017 8.430 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.678 0.481 8.443 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.498 1.856 7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.368 0.756 10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.645 3.957 8.309 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.318 2.286 12.731 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.596 5.487 10.286 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.934 4.633 12.473 1.00 0.00 H new ATOM 270 N SER A 20 1.708 2.837 6.870 1.00 0.00 N ATOM 271 CA SER A 20 0.811 3.979 6.820 1.00 0.00 C ATOM 272 C SER A 20 -0.643 3.504 6.863 1.00 0.00 C ATOM 273 O SER A 20 -1.385 3.847 7.783 1.00 0.00 O ATOM 274 CB SER A 20 1.057 4.819 5.565 1.00 0.00 C ATOM 275 OG SER A 20 2.417 5.232 5.458 1.00 0.00 O ATOM 0 H SER A 20 2.357 2.770 6.086 1.00 0.00 H new ATOM 0 HA SER A 20 1.008 4.607 7.689 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.783 4.241 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.412 5.697 5.584 1.00 0.00 H new ATOM 0 HG SER A 20 2.951 4.504 5.076 1.00 0.00 H new ATOM 281 N GLN A 21 -1.007 2.722 5.858 1.00 0.00 N ATOM 282 CA GLN A 21 -2.359 2.196 5.770 1.00 0.00 C ATOM 283 C GLN A 21 -2.810 1.661 7.130 1.00 0.00 C ATOM 284 O GLN A 21 -3.993 1.713 7.461 1.00 0.00 O ATOM 285 CB GLN A 21 -2.457 1.113 4.694 1.00 0.00 C ATOM 286 CG GLN A 21 -3.121 1.657 3.427 1.00 0.00 C ATOM 287 CD GLN A 21 -4.585 1.223 3.345 1.00 0.00 C ATOM 288 OE1 GLN A 21 -5.077 0.450 4.152 1.00 0.00 O ATOM 289 NE2 GLN A 21 -5.253 1.761 2.328 1.00 0.00 N ATOM 0 H GLN A 21 -0.389 2.440 5.097 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.026 3.009 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.461 0.741 4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.030 0.268 5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.060 2.745 3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.583 1.301 2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.781 2.401 1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.237 1.534 2.187 1.00 0.00 H new ATOM 298 N GLU A 22 -1.842 1.157 7.882 1.00 0.00 N ATOM 299 CA GLU A 22 -2.125 0.612 9.199 1.00 0.00 C ATOM 300 C GLU A 22 -2.583 1.723 10.146 1.00 0.00 C ATOM 301 O GLU A 22 -3.529 1.541 10.911 1.00 0.00 O ATOM 302 CB GLU A 22 -0.906 -0.120 9.763 1.00 0.00 C ATOM 303 CG GLU A 22 -1.324 -1.388 10.509 1.00 0.00 C ATOM 304 CD GLU A 22 -0.579 -2.612 9.971 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.850 -2.975 8.807 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.245 -3.156 10.738 1.00 0.00 O ATOM 0 H GLU A 22 -0.861 1.115 7.604 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.932 -0.114 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.225 -0.379 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.361 0.540 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.119 -1.272 11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.399 -1.537 10.405 1.00 0.00 H new ATOM 313 N LEU A 23 -1.891 2.850 10.064 1.00 0.00 N ATOM 314 CA LEU A 23 -2.215 3.990 10.904 1.00 0.00 C ATOM 315 C LEU A 23 -3.540 4.599 10.441 1.00 0.00 C ATOM 316 O LEU A 23 -4.290 5.150 11.247 1.00 0.00 O ATOM 317 CB LEU A 23 -1.055 4.987 10.926 1.00 0.00 C ATOM 318 CG LEU A 23 0.224 4.514 11.620 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.467 4.994 10.868 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.241 4.942 13.089 1.00 0.00 C ATOM 0 H LEU A 23 -1.107 2.998 9.428 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.353 3.674 11.938 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.810 5.251 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.395 5.899 11.417 1.00 0.00 H new ATOM 0 HG LEU A 23 0.239 3.424 11.602 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.362 4.644 11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.454 4.597 9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.472 6.083 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.161 4.593 13.559 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.191 6.029 13.152 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.616 4.509 13.604 1.00 0.00 H new ATOM 332 N LEU A 24 -3.789 4.480 9.145 1.00 0.00 N ATOM 333 CA LEU A 24 -5.011 5.011 8.566 1.00 0.00 C ATOM 334 C LEU A 24 -6.186 4.108 8.946 1.00 0.00 C ATOM 335 O LEU A 24 -7.325 4.565 9.021 1.00 0.00 O ATOM 336 CB LEU A 24 -4.848 5.205 7.057 1.00 0.00 C ATOM 337 CG LEU A 24 -3.897 6.323 6.623 1.00 0.00 C ATOM 338 CD1 LEU A 24 -4.109 6.682 5.151 1.00 0.00 C ATOM 339 CD2 LEU A 24 -4.034 7.543 7.536 1.00 0.00 C ATOM 0 H LEU A 24 -3.165 4.024 8.480 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.225 6.000 8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.496 4.268 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.830 5.404 6.628 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.874 5.960 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.421 7.479 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.922 5.805 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.135 7.019 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.348 8.323 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.057 7.917 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.795 7.259 8.561 1.00 0.00 H new ATOM 351 N SER A 25 -5.868 2.843 9.177 1.00 0.00 N ATOM 352 CA SER A 25 -6.883 1.872 9.548 1.00 0.00 C ATOM 353 C SER A 25 -6.941 1.732 11.070 1.00 0.00 C ATOM 354 O SER A 25 -7.955 1.302 11.619 1.00 0.00 O ATOM 355 CB SER A 25 -6.609 0.513 8.900 1.00 0.00 C ATOM 356 OG SER A 25 -7.554 -0.473 9.306 1.00 0.00 O ATOM 0 H SER A 25 -4.922 2.468 9.114 1.00 0.00 H new ATOM 0 HA SER A 25 -7.847 2.229 9.185 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.637 0.617 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.604 0.182 9.163 1.00 0.00 H new ATOM 0 HG SER A 25 -7.345 -1.325 8.869 1.00 0.00 H new ATOM 362 N ASN A 26 -5.841 2.102 11.709 1.00 0.00 N ATOM 363 CA ASN A 26 -5.755 2.023 13.157 1.00 0.00 C ATOM 364 C ASN A 26 -6.566 3.163 13.776 1.00 0.00 C ATOM 365 O ASN A 26 -7.514 2.922 14.522 1.00 0.00 O ATOM 366 CB ASN A 26 -4.307 2.162 13.631 1.00 0.00 C ATOM 367 CG ASN A 26 -3.528 0.865 13.403 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.272 1.051 13.007 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.034 -0.232 13.576 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.002 2.457 11.250 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.144 1.052 13.465 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.823 2.980 13.097 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.290 2.419 14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.005 -0.304 13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.486 -1.077 13.416 1.00 0.00 H new ATOM 376 N GLY A 27 -6.165 4.381 13.442 1.00 0.00 N ATOM 377 CA GLY A 27 -6.843 5.559 13.954 1.00 0.00 C ATOM 378 C GLY A 27 -6.060 6.182 15.112 1.00 0.00 C ATOM 379 O GLY A 27 -6.646 6.792 16.005 1.00 0.00 O ATOM 0 H GLY A 27 -5.379 4.577 12.823 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.962 6.291 13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.844 5.289 14.290 1.00 0.00 H new ATOM 383 N GLU A 28 -4.748 6.007 15.059 1.00 0.00 N ATOM 384 CA GLU A 28 -3.879 6.544 16.091 1.00 0.00 C ATOM 385 C GLU A 28 -3.667 8.045 15.880 1.00 0.00 C ATOM 386 O GLU A 28 -3.248 8.751 16.795 1.00 0.00 O ATOM 387 CB GLU A 28 -2.541 5.801 16.124 1.00 0.00 C ATOM 388 CG GLU A 28 -2.692 4.378 15.584 1.00 0.00 C ATOM 389 CD GLU A 28 -1.714 3.424 16.273 1.00 0.00 C ATOM 390 OE1 GLU A 28 -0.526 3.452 15.885 1.00 0.00 O ATOM 391 OE2 GLU A 28 -2.176 2.688 17.171 1.00 0.00 O ATOM 0 H GLU A 28 -4.266 5.500 14.317 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.363 6.397 17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.805 6.343 15.530 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.164 5.768 17.146 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.714 4.032 15.740 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.514 4.372 14.509 1.00 0.00 H new ATOM 398 N LEU A 29 -3.967 8.487 14.667 1.00 0.00 N ATOM 399 CA LEU A 29 -3.816 9.891 14.324 1.00 0.00 C ATOM 400 C LEU A 29 -5.137 10.420 13.764 1.00 0.00 C ATOM 401 O LEU A 29 -5.144 11.204 12.816 1.00 0.00 O ATOM 402 CB LEU A 29 -2.626 10.086 13.382 1.00 0.00 C ATOM 403 CG LEU A 29 -1.680 8.893 13.240 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.916 8.952 11.916 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.737 8.795 14.441 1.00 0.00 C ATOM 0 H LEU A 29 -4.314 7.898 13.910 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.589 10.479 15.214 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.009 10.340 12.394 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.049 10.942 13.731 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.280 7.983 13.225 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.251 8.092 11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.623 8.937 11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.329 9.869 11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.075 7.938 14.315 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.142 9.706 14.512 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.321 8.671 15.353 1.00 0.00 H new ATOM 417 N ASN A 30 -6.224 9.970 14.373 1.00 0.00 N ATOM 418 CA ASN A 30 -7.549 10.389 13.947 1.00 0.00 C ATOM 419 C ASN A 30 -7.951 11.651 14.712 1.00 0.00 C ATOM 420 O ASN A 30 -9.106 12.070 14.661 1.00 0.00 O ATOM 421 CB ASN A 30 -8.590 9.306 14.241 1.00 0.00 C ATOM 422 CG ASN A 30 -9.287 8.853 12.957 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.457 8.411 12.017 1.00 0.00 O flip ATOM 424 ND2 ASN A 30 -10.500 8.902 12.828 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.215 9.319 15.158 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.515 10.575 12.874 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.108 8.453 14.718 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.329 9.688 14.945 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.080 9.253 13.590 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.933 8.592 11.958 1.00 0.00 H new ATOM 431 N HIS A 31 -6.975 12.222 15.402 1.00 0.00 N ATOM 432 CA HIS A 31 -7.212 13.429 16.176 1.00 0.00 C ATOM 433 C HIS A 31 -6.904 14.658 15.319 1.00 0.00 C ATOM 434 O HIS A 31 -7.388 15.753 15.600 1.00 0.00 O ATOM 435 CB HIS A 31 -6.416 13.402 17.482 1.00 0.00 C ATOM 436 CG HIS A 31 -4.945 13.110 17.299 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.443 11.824 17.201 1.00 0.00 N ATOM 438 CD2 HIS A 31 -3.876 13.950 17.197 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.129 11.899 17.047 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.780 13.217 17.045 1.00 0.00 N ATOM 0 H HIS A 31 -6.018 11.871 15.441 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.263 13.482 16.460 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.525 14.364 17.982 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.846 12.649 18.142 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.914 15.029 17.234 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.453 11.063 16.942 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.832 13.580 16.943 1.00 0.00 H new ATOM 448 N LEU A 32 -6.100 14.435 14.290 1.00 0.00 N ATOM 449 CA LEU A 32 -5.721 15.511 13.389 1.00 0.00 C ATOM 450 C LEU A 32 -6.285 15.226 11.996 1.00 0.00 C ATOM 451 O LEU A 32 -6.761 14.124 11.728 1.00 0.00 O ATOM 452 CB LEU A 32 -4.205 15.717 13.409 1.00 0.00 C ATOM 453 CG LEU A 32 -3.378 14.561 13.977 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.211 13.447 12.942 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.032 15.059 14.506 1.00 0.00 C ATOM 0 H LEU A 32 -5.700 13.525 14.060 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.152 16.456 13.720 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.871 15.910 12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.988 16.613 13.990 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.919 14.136 14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.620 12.638 13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.192 13.067 12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.703 13.841 12.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.464 14.218 14.904 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.472 15.524 13.695 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.200 15.790 15.297 1.00 0.00 H new ATOM 467 N PRO A 33 -6.210 16.266 11.122 1.00 0.00 N ATOM 468 CA PRO A 33 -6.708 16.138 9.763 1.00 0.00 C ATOM 469 C PRO A 33 -5.753 15.304 8.906 1.00 0.00 C ATOM 470 O PRO A 33 -4.563 15.216 9.203 1.00 0.00 O ATOM 471 CB PRO A 33 -6.861 17.566 9.264 1.00 0.00 C ATOM 472 CG PRO A 33 -6.009 18.423 10.187 1.00 0.00 C ATOM 473 CD PRO A 33 -5.653 17.585 11.404 1.00 0.00 C ATOM 0 HA PRO A 33 -7.659 15.608 9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.529 17.656 8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.904 17.880 9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.106 18.755 9.674 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.553 19.319 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.574 17.536 11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.078 18.008 12.314 1.00 0.00 H new ATOM 481 N LEU A 34 -6.311 14.714 7.859 1.00 0.00 N ATOM 482 CA LEU A 34 -5.524 13.890 6.957 1.00 0.00 C ATOM 483 C LEU A 34 -4.165 14.553 6.723 1.00 0.00 C ATOM 484 O LEU A 34 -3.124 13.944 6.964 1.00 0.00 O ATOM 485 CB LEU A 34 -6.303 13.612 5.669 1.00 0.00 C ATOM 486 CG LEU A 34 -5.681 12.588 4.718 1.00 0.00 C ATOM 487 CD1 LEU A 34 -4.202 12.893 4.475 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.896 11.163 5.231 1.00 0.00 C ATOM 0 H LEU A 34 -7.298 14.790 7.615 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.331 12.914 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.302 13.268 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.424 14.552 5.131 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.187 12.664 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.784 12.150 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.103 13.885 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.664 12.862 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.444 10.454 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.433 11.056 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.964 10.962 5.310 1.00 0.00 H new ATOM 500 N LYS A 35 -4.219 15.792 6.257 1.00 0.00 N ATOM 501 CA LYS A 35 -3.005 16.544 5.988 1.00 0.00 C ATOM 502 C LYS A 35 -1.949 16.191 7.037 1.00 0.00 C ATOM 503 O LYS A 35 -0.843 15.775 6.695 1.00 0.00 O ATOM 504 CB LYS A 35 -3.310 18.040 5.901 1.00 0.00 C ATOM 505 CG LYS A 35 -2.116 18.872 6.374 1.00 0.00 C ATOM 506 CD LYS A 35 -2.022 20.187 5.599 1.00 0.00 C ATOM 507 CE LYS A 35 -2.269 21.385 6.519 1.00 0.00 C ATOM 508 NZ LYS A 35 -3.222 22.330 5.896 1.00 0.00 N ATOM 0 H LYS A 35 -5.084 16.294 6.059 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.594 16.269 5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.558 18.305 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.184 18.273 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.213 19.080 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.196 18.302 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.037 20.273 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.752 20.189 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.662 21.041 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.327 21.893 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.378 23.137 6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.833 22.672 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.126 21.847 5.722 1.00 0.00 H new ATOM 522 N GLU A 36 -2.327 16.371 8.294 1.00 0.00 N ATOM 523 CA GLU A 36 -1.426 16.078 9.396 1.00 0.00 C ATOM 524 C GLU A 36 -1.162 14.573 9.479 1.00 0.00 C ATOM 525 O GLU A 36 -0.012 14.145 9.567 1.00 0.00 O ATOM 526 CB GLU A 36 -1.985 16.610 10.718 1.00 0.00 C ATOM 527 CG GLU A 36 -1.555 18.059 10.950 1.00 0.00 C ATOM 528 CD GLU A 36 -0.730 18.187 12.232 1.00 0.00 C ATOM 529 OE1 GLU A 36 0.348 17.555 12.279 1.00 0.00 O ATOM 530 OE2 GLU A 36 -1.195 18.915 13.136 1.00 0.00 O ATOM 0 H GLU A 36 -3.245 16.716 8.574 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.479 16.584 9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.073 16.547 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.636 15.987 11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.969 18.409 10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.436 18.698 11.015 1.00 0.00 H new ATOM 537 N ARG A 37 -2.245 13.811 9.447 1.00 0.00 N ATOM 538 CA ARG A 37 -2.145 12.364 9.517 1.00 0.00 C ATOM 539 C ARG A 37 -0.938 11.876 8.713 1.00 0.00 C ATOM 540 O ARG A 37 -0.023 11.269 9.267 1.00 0.00 O ATOM 541 CB ARG A 37 -3.412 11.697 8.978 1.00 0.00 C ATOM 542 CG ARG A 37 -4.601 11.946 9.908 1.00 0.00 C ATOM 543 CD ARG A 37 -5.677 10.874 9.721 1.00 0.00 C ATOM 544 NE ARG A 37 -6.921 11.280 10.411 1.00 0.00 N ATOM 545 CZ ARG A 37 -8.120 10.724 10.189 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.244 9.735 9.294 1.00 0.00 N ATOM 547 NH2 ARG A 37 -9.195 11.157 10.862 1.00 0.00 N ATOM 0 H ARG A 37 -3.197 14.169 9.373 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.023 12.091 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.636 12.084 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.246 10.625 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.262 11.950 10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.024 12.930 9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.873 10.725 8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.326 9.921 10.118 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.862 12.031 11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.426 9.405 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.156 9.312 9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.101 11.910 11.544 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.107 10.734 10.693 1.00 0.00 H new ATOM 561 N MET A 38 -0.976 12.159 7.419 1.00 0.00 N ATOM 562 CA MET A 38 0.104 11.757 6.533 1.00 0.00 C ATOM 563 C MET A 38 1.465 12.139 7.118 1.00 0.00 C ATOM 564 O MET A 38 2.242 11.270 7.511 1.00 0.00 O ATOM 565 CB MET A 38 -0.075 12.432 5.172 1.00 0.00 C ATOM 566 CG MET A 38 -1.176 11.747 4.360 1.00 0.00 C ATOM 567 SD MET A 38 -0.460 10.545 3.252 1.00 0.00 S ATOM 568 CE MET A 38 -0.548 9.086 4.277 1.00 0.00 C ATOM 0 H MET A 38 -1.737 12.662 6.963 1.00 0.00 H new ATOM 0 HA MET A 38 0.071 10.674 6.419 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.324 13.484 5.314 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.864 12.398 4.619 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.884 11.259 5.030 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.735 12.490 3.791 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.838 8.230 3.668 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.427 8.898 4.726 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.287 9.238 5.064 1.00 0.00 H new ATOM 578 N VAL A 39 1.712 13.440 7.158 1.00 0.00 N ATOM 579 CA VAL A 39 2.965 13.948 7.689 1.00 0.00 C ATOM 580 C VAL A 39 3.275 13.246 9.013 1.00 0.00 C ATOM 581 O VAL A 39 4.388 12.764 9.219 1.00 0.00 O ATOM 582 CB VAL A 39 2.899 15.470 7.820 1.00 0.00 C ATOM 583 CG1 VAL A 39 1.649 15.901 8.590 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.166 16.019 8.481 1.00 0.00 C ATOM 0 H VAL A 39 1.065 14.158 6.831 1.00 0.00 H new ATOM 0 HA VAL A 39 3.786 13.730 7.006 1.00 0.00 H new ATOM 0 HB VAL A 39 2.835 15.890 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.627 16.988 8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.760 15.557 8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.669 15.465 9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.093 17.104 8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.274 15.587 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.034 15.758 7.876 1.00 0.00 H new ATOM 594 N GLU A 40 2.271 13.211 9.876 1.00 0.00 N ATOM 595 CA GLU A 40 2.422 12.577 11.175 1.00 0.00 C ATOM 596 C GLU A 40 2.959 11.153 11.011 1.00 0.00 C ATOM 597 O GLU A 40 3.824 10.721 11.770 1.00 0.00 O ATOM 598 CB GLU A 40 1.099 12.579 11.944 1.00 0.00 C ATOM 599 CG GLU A 40 1.333 12.819 13.436 1.00 0.00 C ATOM 600 CD GLU A 40 2.097 14.125 13.669 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.488 15.189 13.425 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.271 14.029 14.084 1.00 0.00 O ATOM 0 H GLU A 40 1.349 13.611 9.701 1.00 0.00 H new ATOM 0 HA GLU A 40 3.143 13.152 11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.444 13.354 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.589 11.626 11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.376 12.856 13.956 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.894 11.985 13.858 1.00 0.00 H new ATOM 609 N ILE A 41 2.422 10.464 10.015 1.00 0.00 N ATOM 610 CA ILE A 41 2.836 9.098 9.741 1.00 0.00 C ATOM 611 C ILE A 41 4.321 9.084 9.376 1.00 0.00 C ATOM 612 O ILE A 41 5.129 8.467 10.070 1.00 0.00 O ATOM 613 CB ILE A 41 1.935 8.468 8.678 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.483 8.401 9.158 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.462 7.095 8.256 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.489 8.526 7.983 1.00 0.00 C ATOM 0 H ILE A 41 1.704 10.826 9.388 1.00 0.00 H new ATOM 0 HA ILE A 41 2.720 8.479 10.631 1.00 0.00 H new ATOM 0 HB ILE A 41 1.953 9.106 7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.311 7.459 9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.296 9.200 9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.803 6.669 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.466 7.201 7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.493 6.435 9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.514 8.475 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.331 9.480 7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.316 7.712 7.279 1.00 0.00 H new ATOM 628 N GLY A 42 4.637 9.770 8.287 1.00 0.00 N ATOM 629 CA GLY A 42 6.011 9.844 7.821 1.00 0.00 C ATOM 630 C GLY A 42 6.986 9.919 8.998 1.00 0.00 C ATOM 631 O GLY A 42 8.108 9.422 8.913 1.00 0.00 O ATOM 0 H GLY A 42 3.964 10.280 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.239 8.970 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.136 10.720 7.184 1.00 0.00 H new ATOM 635 N SER A 43 6.522 10.545 10.070 1.00 0.00 N ATOM 636 CA SER A 43 7.339 10.692 11.263 1.00 0.00 C ATOM 637 C SER A 43 7.454 9.350 11.987 1.00 0.00 C ATOM 638 O SER A 43 8.557 8.874 12.250 1.00 0.00 O ATOM 639 CB SER A 43 6.760 11.754 12.200 1.00 0.00 C ATOM 640 OG SER A 43 7.763 12.640 12.688 1.00 0.00 O ATOM 0 H SER A 43 5.591 10.956 10.137 1.00 0.00 H new ATOM 0 HA SER A 43 8.333 11.019 10.959 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.997 12.326 11.672 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.267 11.266 13.041 1.00 0.00 H new ATOM 0 HG SER A 43 7.353 13.304 13.281 1.00 0.00 H new ATOM 646 N ARG A 44 6.298 8.777 12.290 1.00 0.00 N ATOM 647 CA ARG A 44 6.255 7.498 12.979 1.00 0.00 C ATOM 648 C ARG A 44 7.055 6.450 12.204 1.00 0.00 C ATOM 649 O ARG A 44 7.704 5.593 12.802 1.00 0.00 O ATOM 650 CB ARG A 44 4.814 7.010 13.144 1.00 0.00 C ATOM 651 CG ARG A 44 4.012 7.960 14.035 1.00 0.00 C ATOM 652 CD ARG A 44 2.940 7.201 14.821 1.00 0.00 C ATOM 653 NE ARG A 44 3.519 6.657 16.070 1.00 0.00 N ATOM 654 CZ ARG A 44 3.854 7.404 17.130 1.00 0.00 C ATOM 655 NH1 ARG A 44 3.670 8.731 17.100 1.00 0.00 N ATOM 656 NH2 ARG A 44 4.373 6.825 18.221 1.00 0.00 N ATOM 0 H ARG A 44 5.385 9.175 12.071 1.00 0.00 H new ATOM 0 HA ARG A 44 6.695 7.638 13.966 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.338 6.934 12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.812 6.010 13.578 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.683 8.469 14.727 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.542 8.729 13.422 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.109 7.867 15.055 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.537 6.390 14.214 1.00 0.00 H new ATOM 0 HE ARG A 44 3.672 5.650 16.127 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.275 9.172 16.270 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.925 9.300 17.907 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.513 5.815 18.245 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.628 7.394 19.028 1.00 0.00 H new ATOM 670 N TRP A 45 6.984 6.553 10.885 1.00 0.00 N ATOM 671 CA TRP A 45 7.694 5.624 10.023 1.00 0.00 C ATOM 672 C TRP A 45 9.195 5.833 10.237 1.00 0.00 C ATOM 673 O TRP A 45 9.978 4.890 10.131 1.00 0.00 O ATOM 674 CB TRP A 45 7.270 5.798 8.563 1.00 0.00 C ATOM 675 CG TRP A 45 8.168 5.067 7.563 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.192 5.565 6.856 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.079 3.677 7.184 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.768 4.602 6.053 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.070 3.417 6.259 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.192 2.673 7.609 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.267 2.158 5.680 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.402 1.420 7.021 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.395 1.142 6.088 1.00 0.00 C ATOM 0 H TRP A 45 6.446 7.266 10.392 1.00 0.00 H new ATOM 0 HA TRP A 45 7.445 4.594 10.279 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.247 5.439 8.447 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.264 6.861 8.321 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.525 6.591 6.908 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.560 4.735 5.424 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.410 2.854 8.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.050 1.980 4.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.747 0.612 7.312 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.493 0.147 5.680 1.00 0.00 H new ATOM 694 N GLN A 46 9.551 7.074 10.536 1.00 0.00 N ATOM 695 CA GLN A 46 10.943 7.418 10.767 1.00 0.00 C ATOM 696 C GLN A 46 11.324 7.142 12.222 1.00 0.00 C ATOM 697 O GLN A 46 12.477 7.323 12.611 1.00 0.00 O ATOM 698 CB GLN A 46 11.216 8.877 10.395 1.00 0.00 C ATOM 699 CG GLN A 46 11.552 9.011 8.909 1.00 0.00 C ATOM 700 CD GLN A 46 12.866 9.769 8.709 1.00 0.00 C ATOM 701 OE1 GLN A 46 12.891 10.936 8.353 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.952 9.044 8.958 1.00 0.00 N ATOM 0 H GLN A 46 8.899 7.853 10.624 1.00 0.00 H new ATOM 0 HA GLN A 46 11.563 6.792 10.125 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.343 9.485 10.630 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.042 9.260 10.994 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.627 8.021 8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.745 9.534 8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.860 8.072 9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.878 9.460 8.854 1.00 0.00 H new ATOM 711 N ARG A 47 10.334 6.708 12.988 1.00 0.00 N ATOM 712 CA ARG A 47 10.550 6.406 14.392 1.00 0.00 C ATOM 713 C ARG A 47 10.919 4.931 14.567 1.00 0.00 C ATOM 714 O ARG A 47 11.913 4.608 15.216 1.00 0.00 O ATOM 715 CB ARG A 47 9.302 6.713 15.221 1.00 0.00 C ATOM 716 CG ARG A 47 9.096 8.223 15.362 1.00 0.00 C ATOM 717 CD ARG A 47 7.782 8.532 16.083 1.00 0.00 C ATOM 718 NE ARG A 47 8.060 9.048 17.442 1.00 0.00 N ATOM 719 CZ ARG A 47 8.657 10.221 17.693 1.00 0.00 C ATOM 720 NH1 ARG A 47 9.044 11.006 16.678 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.869 10.608 18.958 1.00 0.00 N ATOM 0 H ARG A 47 9.379 6.558 12.662 1.00 0.00 H new ATOM 0 HA ARG A 47 11.369 7.034 14.743 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.428 6.266 14.748 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.397 6.261 16.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.929 8.657 15.915 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.092 8.687 14.376 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.210 9.267 15.516 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.171 7.631 16.145 1.00 0.00 H new ATOM 0 HE ARG A 47 7.779 8.475 18.238 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.884 10.710 15.715 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.498 11.899 16.869 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.576 10.010 19.730 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.324 11.501 19.149 1.00 0.00 H new ATOM 735 N ILE A 48 10.099 4.075 13.975 1.00 0.00 N ATOM 736 CA ILE A 48 10.326 2.642 14.057 1.00 0.00 C ATOM 737 C ILE A 48 11.782 2.340 13.695 1.00 0.00 C ATOM 738 O ILE A 48 12.542 3.245 13.358 1.00 0.00 O ATOM 739 CB ILE A 48 9.309 1.888 13.198 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.331 2.393 11.753 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.910 1.964 13.811 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.313 1.640 10.894 1.00 0.00 C ATOM 0 H ILE A 48 9.276 4.346 13.436 1.00 0.00 H new ATOM 0 HA ILE A 48 10.170 2.289 15.076 1.00 0.00 H new ATOM 0 HB ILE A 48 9.593 0.836 13.176 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.110 3.460 11.733 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.330 2.266 11.335 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.207 1.420 13.181 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.924 1.520 14.806 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.601 3.007 13.884 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.349 2.018 9.872 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.551 0.576 10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.313 1.789 11.301 1.00 0.00 H new ATOM 754 N SER A 49 12.125 1.063 13.778 1.00 0.00 N ATOM 755 CA SER A 49 13.476 0.629 13.463 1.00 0.00 C ATOM 756 C SER A 49 13.481 -0.158 12.151 1.00 0.00 C ATOM 757 O SER A 49 12.459 -0.245 11.472 1.00 0.00 O ATOM 758 CB SER A 49 14.060 -0.220 14.594 1.00 0.00 C ATOM 759 OG SER A 49 14.857 0.554 15.486 1.00 0.00 O ATOM 0 H SER A 49 11.491 0.315 14.059 1.00 0.00 H new ATOM 0 HA SER A 49 14.102 1.514 13.350 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.249 -0.692 15.149 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.665 -1.022 14.170 1.00 0.00 H new ATOM 0 HG SER A 49 15.210 -0.024 16.194 1.00 0.00 H new ATOM 765 N GLN A 50 14.643 -0.711 11.834 1.00 0.00 N ATOM 766 CA GLN A 50 14.794 -1.488 10.616 1.00 0.00 C ATOM 767 C GLN A 50 13.782 -2.635 10.589 1.00 0.00 C ATOM 768 O GLN A 50 13.078 -2.824 9.598 1.00 0.00 O ATOM 769 CB GLN A 50 16.224 -2.014 10.475 1.00 0.00 C ATOM 770 CG GLN A 50 16.399 -2.780 9.162 1.00 0.00 C ATOM 771 CD GLN A 50 16.046 -1.900 7.962 1.00 0.00 C ATOM 772 OE1 GLN A 50 16.882 -1.219 7.391 1.00 0.00 O ATOM 773 NE2 GLN A 50 14.764 -1.951 7.612 1.00 0.00 N ATOM 0 H GLN A 50 15.488 -0.636 12.400 1.00 0.00 H new ATOM 0 HA GLN A 50 14.597 -0.836 9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.927 -1.182 10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.460 -2.667 11.315 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.429 -3.126 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.764 -3.666 9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.116 -2.542 8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.428 -1.399 6.823 1.00 0.00 H new ATOM 782 N SER A 51 13.742 -3.372 11.689 1.00 0.00 N ATOM 783 CA SER A 51 12.829 -4.496 11.805 1.00 0.00 C ATOM 784 C SER A 51 11.498 -4.160 11.130 1.00 0.00 C ATOM 785 O SER A 51 11.109 -4.807 10.159 1.00 0.00 O ATOM 786 CB SER A 51 12.601 -4.873 13.270 1.00 0.00 C ATOM 787 OG SER A 51 11.437 -5.677 13.439 1.00 0.00 O ATOM 0 H SER A 51 14.328 -3.212 12.509 1.00 0.00 H new ATOM 0 HA SER A 51 13.278 -5.354 11.304 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.471 -5.411 13.646 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.505 -3.966 13.867 1.00 0.00 H new ATOM 0 HG SER A 51 11.327 -5.898 14.387 1.00 0.00 H new ATOM 793 N GLN A 52 10.836 -3.147 11.671 1.00 0.00 N ATOM 794 CA GLN A 52 9.556 -2.717 11.133 1.00 0.00 C ATOM 795 C GLN A 52 9.647 -2.552 9.614 1.00 0.00 C ATOM 796 O GLN A 52 9.094 -3.355 8.865 1.00 0.00 O ATOM 797 CB GLN A 52 9.090 -1.421 11.798 1.00 0.00 C ATOM 798 CG GLN A 52 7.779 -1.635 12.558 1.00 0.00 C ATOM 799 CD GLN A 52 7.839 -2.907 13.407 1.00 0.00 C ATOM 800 OE1 GLN A 52 8.882 -3.309 13.895 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.665 -3.514 13.556 1.00 0.00 N ATOM 0 H GLN A 52 11.162 -2.612 12.476 1.00 0.00 H new ATOM 0 HA GLN A 52 8.815 -3.486 11.352 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.858 -1.064 12.484 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.954 -0.648 11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.581 -0.775 13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.952 -1.704 11.851 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.830 -3.123 13.120 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.600 -4.370 14.106 1.00 0.00 H new ATOM 810 N LYS A 53 10.349 -1.505 9.206 1.00 0.00 N ATOM 811 CA LYS A 53 10.520 -1.225 7.791 1.00 0.00 C ATOM 812 C LYS A 53 10.745 -2.538 7.038 1.00 0.00 C ATOM 813 O LYS A 53 10.140 -2.769 5.992 1.00 0.00 O ATOM 814 CB LYS A 53 11.632 -0.196 7.578 1.00 0.00 C ATOM 815 CG LYS A 53 11.253 1.156 8.186 1.00 0.00 C ATOM 816 CD LYS A 53 12.429 2.133 8.128 1.00 0.00 C ATOM 817 CE LYS A 53 11.950 3.577 8.287 1.00 0.00 C ATOM 818 NZ LYS A 53 12.875 4.508 7.603 1.00 0.00 N ATOM 0 H LYS A 53 10.806 -0.841 9.831 1.00 0.00 H new ATOM 0 HA LYS A 53 9.617 -0.773 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.556 -0.556 8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.824 -0.078 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.402 1.574 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.941 1.018 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.144 1.894 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.952 2.022 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.947 3.681 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.886 3.831 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.535 5.484 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.825 4.420 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.916 4.275 6.590 1.00 0.00 H new ATOM 832 N GLU A 54 11.615 -3.363 7.600 1.00 0.00 N ATOM 833 CA GLU A 54 11.927 -4.647 6.995 1.00 0.00 C ATOM 834 C GLU A 54 10.650 -5.467 6.801 1.00 0.00 C ATOM 835 O GLU A 54 10.341 -5.887 5.688 1.00 0.00 O ATOM 836 CB GLU A 54 12.950 -5.415 7.835 1.00 0.00 C ATOM 837 CG GLU A 54 14.372 -5.165 7.331 1.00 0.00 C ATOM 838 CD GLU A 54 14.752 -6.168 6.240 1.00 0.00 C ATOM 839 OE1 GLU A 54 15.034 -7.329 6.609 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.751 -5.752 5.062 1.00 0.00 O ATOM 0 H GLU A 54 12.114 -3.168 8.468 1.00 0.00 H new ATOM 0 HA GLU A 54 12.372 -4.467 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.871 -5.110 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.729 -6.482 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.450 -4.150 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.074 -5.242 8.161 1.00 0.00 H new ATOM 847 N HIS A 55 9.942 -5.670 7.903 1.00 0.00 N ATOM 848 CA HIS A 55 8.706 -6.432 7.868 1.00 0.00 C ATOM 849 C HIS A 55 7.762 -5.830 6.825 1.00 0.00 C ATOM 850 O HIS A 55 7.451 -6.470 5.822 1.00 0.00 O ATOM 851 CB HIS A 55 8.077 -6.511 9.261 1.00 0.00 C ATOM 852 CG HIS A 55 6.977 -7.538 9.380 1.00 0.00 C ATOM 853 ND1 HIS A 55 7.066 -8.801 8.821 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.764 -7.477 10.001 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.951 -9.461 9.098 1.00 0.00 C ATOM 856 NE2 HIS A 55 5.145 -8.639 9.828 1.00 0.00 N ATOM 0 H HIS A 55 10.201 -5.320 8.825 1.00 0.00 H new ATOM 0 HA HIS A 55 8.916 -7.459 7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.856 -6.742 9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.676 -5.532 9.524 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.373 -6.628 10.542 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.721 -10.473 8.798 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.219 -8.877 10.183 1.00 0.00 H new ATOM 864 N TYR A 56 7.332 -4.607 7.098 1.00 0.00 N ATOM 865 CA TYR A 56 6.429 -3.912 6.196 1.00 0.00 C ATOM 866 C TYR A 56 6.958 -3.942 4.761 1.00 0.00 C ATOM 867 O TYR A 56 6.184 -3.859 3.808 1.00 0.00 O ATOM 868 CB TYR A 56 6.384 -2.462 6.680 1.00 0.00 C ATOM 869 CG TYR A 56 5.602 -2.264 7.980 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.455 -2.994 8.214 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.045 -1.355 8.920 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.720 -2.807 9.438 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.310 -1.168 10.144 1.00 0.00 C ATOM 874 CZ TYR A 56 4.184 -1.904 10.343 1.00 0.00 C ATOM 875 OH TYR A 56 3.489 -1.728 11.499 1.00 0.00 O ATOM 0 H TYR A 56 7.592 -4.079 7.931 1.00 0.00 H new ATOM 0 HA TYR A 56 5.446 -4.384 6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.404 -2.106 6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.937 -1.844 5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.108 -3.706 7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.943 -0.784 8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.820 -3.371 9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.645 -0.459 10.887 1.00 0.00 H new ATOM 0 HH TYR A 56 3.937 -1.053 12.051 1.00 0.00 H new ATOM 885 N LYS A 57 8.273 -4.062 4.651 1.00 0.00 N ATOM 886 CA LYS A 57 8.915 -4.105 3.348 1.00 0.00 C ATOM 887 C LYS A 57 8.696 -5.483 2.721 1.00 0.00 C ATOM 888 O LYS A 57 8.745 -5.629 1.501 1.00 0.00 O ATOM 889 CB LYS A 57 10.388 -3.708 3.463 1.00 0.00 C ATOM 890 CG LYS A 57 11.090 -3.809 2.108 1.00 0.00 C ATOM 891 CD LYS A 57 12.493 -3.201 2.170 1.00 0.00 C ATOM 892 CE LYS A 57 13.521 -4.240 2.622 1.00 0.00 C ATOM 893 NZ LYS A 57 14.676 -4.262 1.697 1.00 0.00 N ATOM 0 H LYS A 57 8.912 -4.131 5.443 1.00 0.00 H new ATOM 0 HA LYS A 57 8.464 -3.374 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.465 -2.689 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.887 -4.355 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.156 -4.854 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.500 -3.294 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.769 -2.814 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.497 -2.356 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.860 -4.009 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.058 -5.226 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.364 -4.972 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.350 -4.504 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.127 -3.325 1.682 1.00 0.00 H new ATOM 907 N LYS A 58 8.460 -6.460 3.585 1.00 0.00 N ATOM 908 CA LYS A 58 8.234 -7.822 3.131 1.00 0.00 C ATOM 909 C LYS A 58 6.748 -8.011 2.821 1.00 0.00 C ATOM 910 O LYS A 58 6.394 -8.631 1.819 1.00 0.00 O ATOM 911 CB LYS A 58 8.782 -8.823 4.150 1.00 0.00 C ATOM 912 CG LYS A 58 7.983 -10.127 4.121 1.00 0.00 C ATOM 913 CD LYS A 58 6.773 -10.049 5.055 1.00 0.00 C ATOM 914 CE LYS A 58 6.228 -11.445 5.363 1.00 0.00 C ATOM 915 NZ LYS A 58 7.201 -12.215 6.169 1.00 0.00 N ATOM 0 H LYS A 58 8.420 -6.335 4.597 1.00 0.00 H new ATOM 0 HA LYS A 58 8.779 -8.012 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.830 -9.030 3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.741 -8.389 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.649 -10.331 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.624 -10.957 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.057 -9.552 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.992 -9.443 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.284 -11.363 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.018 -11.973 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.704 -12.966 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.912 -12.642 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.672 -11.580 6.844 1.00 0.00 H new ATOM 929 N LEU A 59 5.919 -7.466 3.698 1.00 0.00 N ATOM 930 CA LEU A 59 4.479 -7.568 3.530 1.00 0.00 C ATOM 931 C LEU A 59 4.094 -7.050 2.143 1.00 0.00 C ATOM 932 O LEU A 59 3.484 -7.771 1.355 1.00 0.00 O ATOM 933 CB LEU A 59 3.755 -6.856 4.675 1.00 0.00 C ATOM 934 CG LEU A 59 3.801 -7.555 6.035 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.405 -9.028 5.909 1.00 0.00 C ATOM 936 CD2 LEU A 59 5.171 -7.384 6.693 1.00 0.00 C ATOM 0 H LEU A 59 6.216 -6.952 4.527 1.00 0.00 H new ATOM 0 HA LEU A 59 4.162 -8.610 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.184 -5.860 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.711 -6.724 4.392 1.00 0.00 H new ATOM 0 HG LEU A 59 3.069 -7.080 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.446 -9.501 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.392 -9.100 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.095 -9.534 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.177 -7.890 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.939 -7.816 6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.375 -6.323 6.838 1.00 0.00 H new ATOM 948 N ALA A 60 4.467 -5.805 1.887 1.00 0.00 N ATOM 949 CA ALA A 60 4.169 -5.182 0.608 1.00 0.00 C ATOM 950 C ALA A 60 4.374 -6.204 -0.512 1.00 0.00 C ATOM 951 O ALA A 60 3.535 -6.333 -1.402 1.00 0.00 O ATOM 952 CB ALA A 60 5.041 -3.938 0.430 1.00 0.00 C ATOM 0 H ALA A 60 4.973 -5.210 2.543 1.00 0.00 H new ATOM 0 HA ALA A 60 3.129 -4.858 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.817 -3.471 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.835 -3.232 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.093 -4.224 0.458 1.00 0.00 H new ATOM 958 N GLU A 61 5.496 -6.905 -0.432 1.00 0.00 N ATOM 959 CA GLU A 61 5.823 -7.911 -1.428 1.00 0.00 C ATOM 960 C GLU A 61 4.718 -8.967 -1.498 1.00 0.00 C ATOM 961 O GLU A 61 4.259 -9.321 -2.583 1.00 0.00 O ATOM 962 CB GLU A 61 7.179 -8.555 -1.133 1.00 0.00 C ATOM 963 CG GLU A 61 8.182 -7.514 -0.632 1.00 0.00 C ATOM 964 CD GLU A 61 9.615 -7.921 -0.983 1.00 0.00 C ATOM 965 OE1 GLU A 61 10.115 -8.861 -0.327 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.178 -7.284 -1.899 1.00 0.00 O ATOM 0 H GLU A 61 6.190 -6.796 0.308 1.00 0.00 H new ATOM 0 HA GLU A 61 5.894 -7.422 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.059 -9.339 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.563 -9.031 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.957 -6.544 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.086 -7.401 0.448 1.00 0.00 H new ATOM 973 N GLU A 62 4.322 -9.441 -0.325 1.00 0.00 N ATOM 974 CA GLU A 62 3.279 -10.450 -0.240 1.00 0.00 C ATOM 975 C GLU A 62 1.955 -9.890 -0.764 1.00 0.00 C ATOM 976 O GLU A 62 1.204 -10.593 -1.439 1.00 0.00 O ATOM 977 CB GLU A 62 3.129 -10.962 1.194 1.00 0.00 C ATOM 978 CG GLU A 62 1.898 -11.861 1.329 1.00 0.00 C ATOM 979 CD GLU A 62 2.303 -13.303 1.640 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.135 -13.473 2.557 1.00 0.00 O ATOM 981 OE2 GLU A 62 1.771 -14.203 0.955 1.00 0.00 O ATOM 0 H GLU A 62 4.704 -9.145 0.573 1.00 0.00 H new ATOM 0 HA GLU A 62 3.566 -11.296 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.022 -11.517 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.044 -10.118 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.252 -11.482 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.320 -11.833 0.405 1.00 0.00 H new ATOM 988 N GLN A 63 1.709 -8.631 -0.434 1.00 0.00 N ATOM 989 CA GLN A 63 0.489 -7.969 -0.863 1.00 0.00 C ATOM 990 C GLN A 63 0.445 -7.875 -2.389 1.00 0.00 C ATOM 991 O GLN A 63 -0.565 -8.209 -3.006 1.00 0.00 O ATOM 992 CB GLN A 63 0.362 -6.585 -0.224 1.00 0.00 C ATOM 993 CG GLN A 63 -0.806 -6.541 0.763 1.00 0.00 C ATOM 994 CD GLN A 63 -2.142 -6.430 0.027 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.326 -6.950 -1.062 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.062 -5.724 0.679 1.00 0.00 N ATOM 0 H GLN A 63 2.334 -8.051 0.126 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.361 -8.565 -0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.288 -6.333 0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.215 -5.834 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.800 -7.440 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.686 -5.692 1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.842 -5.316 1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.987 -5.591 0.270 1.00 0.00 H new ATOM 1005 N GLN A 64 1.553 -7.419 -2.954 1.00 0.00 N ATOM 1006 CA GLN A 64 1.653 -7.276 -4.397 1.00 0.00 C ATOM 1007 C GLN A 64 1.642 -8.651 -5.068 1.00 0.00 C ATOM 1008 O GLN A 64 1.289 -8.771 -6.240 1.00 0.00 O ATOM 1009 CB GLN A 64 2.906 -6.487 -4.784 1.00 0.00 C ATOM 1010 CG GLN A 64 2.872 -5.078 -4.189 1.00 0.00 C ATOM 1011 CD GLN A 64 4.225 -4.382 -4.350 1.00 0.00 C ATOM 1012 OE1 GLN A 64 5.065 -4.593 -3.342 1.00 0.00 O flip ATOM 1013 NE2 GLN A 64 4.488 -3.698 -5.326 1.00 0.00 N flip ATOM 0 H GLN A 64 2.389 -7.144 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 64 0.787 -6.715 -4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.794 -7.013 -4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.981 -6.425 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.096 -4.491 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.610 -5.132 -3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.796 -3.577 -6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.400 -3.247 -5.402 1.00 0.00 H new ATOM 1022 N ARG A 65 2.034 -9.654 -4.296 1.00 0.00 N ATOM 1023 CA ARG A 65 2.073 -11.016 -4.801 1.00 0.00 C ATOM 1024 C ARG A 65 0.653 -11.553 -4.991 1.00 0.00 C ATOM 1025 O ARG A 65 0.353 -12.180 -6.006 1.00 0.00 O ATOM 1026 CB ARG A 65 2.836 -11.936 -3.846 1.00 0.00 C ATOM 1027 CG ARG A 65 2.225 -13.339 -3.831 1.00 0.00 C ATOM 1028 CD ARG A 65 3.121 -14.319 -3.071 1.00 0.00 C ATOM 1029 NE ARG A 65 2.408 -15.599 -2.862 1.00 0.00 N ATOM 1030 CZ ARG A 65 2.261 -16.539 -3.806 1.00 0.00 C ATOM 1031 NH1 ARG A 65 2.775 -16.347 -5.028 1.00 0.00 N ATOM 1032 NH2 ARG A 65 1.598 -17.670 -3.527 1.00 0.00 N ATOM 0 H ARG A 65 2.327 -9.551 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 65 2.590 -10.999 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.881 -11.994 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.818 -11.517 -2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.240 -13.306 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.083 -13.689 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.040 -14.492 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.408 -13.892 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 65 2.003 -15.777 -1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.278 -15.485 -5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.663 -17.062 -5.746 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.206 -17.815 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.486 -18.386 -4.245 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.183 -11.288 -3.998 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.564 -11.737 -4.042 1.00 0.00 C ATOM 1048 C GLN A 66 -2.353 -10.927 -5.073 1.00 0.00 C ATOM 1049 O GLN A 66 -3.118 -11.488 -5.855 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.214 -11.648 -2.660 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.823 -12.846 -1.792 1.00 0.00 C ATOM 1052 CD GLN A 66 -2.583 -12.831 -0.464 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -3.528 -13.573 -0.251 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -2.119 -11.947 0.415 1.00 0.00 N ATOM 0 H GLN A 66 0.070 -10.768 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.576 -12.784 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.909 -10.724 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.298 -11.609 -2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.036 -13.772 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.750 -12.827 -1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.324 -11.356 0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.558 -11.860 1.331 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.138 -9.620 -5.040 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.820 -8.726 -5.962 1.00 0.00 C ATOM 1065 C TYR A 67 -2.609 -9.169 -7.411 1.00 0.00 C ATOM 1066 O TYR A 67 -3.424 -8.866 -8.281 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.182 -7.350 -5.764 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.402 -6.388 -6.933 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -1.571 -6.439 -8.034 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.431 -5.470 -6.887 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -1.778 -5.534 -9.135 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -3.638 -4.565 -7.988 1.00 0.00 C ATOM 1073 CZ TYR A 67 -2.801 -4.641 -9.057 1.00 0.00 C ATOM 1074 OH TYR A 67 -2.997 -3.786 -10.097 1.00 0.00 O ATOM 0 H TYR A 67 -1.502 -9.158 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.893 -8.721 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.586 -6.901 -4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.111 -7.477 -5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.766 -7.158 -8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.081 -5.430 -6.026 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.136 -5.564 -10.003 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.440 -3.842 -7.965 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.763 -3.206 -9.904 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.512 -9.880 -7.626 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.184 -10.368 -8.955 1.00 0.00 C ATOM 1086 C LYS A 68 -2.257 -11.359 -9.408 1.00 0.00 C ATOM 1087 O LYS A 68 -2.804 -11.230 -10.503 1.00 0.00 O ATOM 1088 CB LYS A 68 0.234 -10.942 -8.980 1.00 0.00 C ATOM 1089 CG LYS A 68 1.279 -9.824 -8.958 1.00 0.00 C ATOM 1090 CD LYS A 68 1.686 -9.425 -10.378 1.00 0.00 C ATOM 1091 CE LYS A 68 1.186 -8.020 -10.717 1.00 0.00 C ATOM 1092 NZ LYS A 68 2.320 -7.074 -10.806 1.00 0.00 N ATOM 0 H LYS A 68 -0.839 -10.130 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.183 -9.548 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.380 -11.598 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.368 -11.552 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.878 -8.957 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.157 -10.153 -8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.771 -9.461 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.279 -10.142 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.645 -8.039 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.483 -7.684 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.963 -6.125 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.819 -7.044 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.976 -7.387 -11.550 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.527 -12.327 -8.544 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.524 -13.340 -8.843 1.00 0.00 C ATOM 1108 C VAL A 69 -4.918 -12.712 -8.777 1.00 0.00 C ATOM 1109 O VAL A 69 -5.777 -13.010 -9.605 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.360 -14.531 -7.897 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.887 -14.757 -7.551 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -4.198 -14.346 -6.630 1.00 0.00 C ATOM 0 H VAL A 69 -2.072 -12.431 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.387 -13.724 -9.854 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.724 -15.420 -8.412 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.798 -15.609 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.325 -14.956 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.487 -13.867 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.063 -15.207 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.879 -13.442 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.250 -14.257 -6.900 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.099 -11.854 -7.783 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.374 -11.182 -7.598 1.00 0.00 C ATOM 1124 C HIS A 70 -6.838 -10.587 -8.929 1.00 0.00 C ATOM 1125 O HIS A 70 -8.003 -10.722 -9.300 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.281 -10.139 -6.482 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.052 -10.726 -5.110 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.712 -11.990 -4.727 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.170 -9.983 -3.948 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.625 -12.018 -3.403 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -5.909 -10.775 -2.918 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.384 -11.609 -7.098 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.127 -11.903 -7.280 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.469 -9.449 -6.711 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.201 -9.555 -6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.430 -8.936 -3.891 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.371 -12.883 -2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.919 -10.503 -1.935 1.00 0.00 H new ATOM 1139 N LEU A 71 -5.903 -9.941 -9.610 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.202 -9.325 -10.891 1.00 0.00 C ATOM 1141 C LEU A 71 -6.735 -10.389 -11.852 1.00 0.00 C ATOM 1142 O LEU A 71 -7.671 -10.135 -12.609 1.00 0.00 O ATOM 1143 CB LEU A 71 -4.980 -8.573 -11.423 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.249 -7.188 -12.015 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.029 -6.314 -11.031 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -3.947 -6.523 -12.466 1.00 0.00 C ATOM 0 H LEU A 71 -4.938 -9.831 -9.299 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.985 -8.575 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.262 -8.465 -10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.505 -9.187 -12.188 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.872 -7.309 -12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.207 -5.335 -11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.984 -6.787 -10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.453 -6.196 -10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.166 -5.540 -12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.279 -6.414 -11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.467 -7.140 -13.225 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.117 -11.559 -11.790 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.517 -12.664 -12.646 1.00 0.00 C ATOM 1160 C ASP A 72 -7.843 -13.238 -12.143 1.00 0.00 C ATOM 1161 O ASP A 72 -8.708 -13.601 -12.938 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.477 -13.785 -12.621 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.700 -13.975 -13.925 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.152 -13.408 -14.943 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.671 -14.683 -13.874 1.00 0.00 O ATOM 0 H ASP A 72 -5.342 -11.766 -11.160 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.613 -12.285 -13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.767 -13.584 -11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.979 -14.721 -12.375 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.962 -13.301 -10.825 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.168 -13.824 -10.206 1.00 0.00 C ATOM 1172 C LEU A 73 -10.346 -12.905 -10.536 1.00 0.00 C ATOM 1173 O LEU A 73 -11.455 -13.376 -10.784 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.953 -14.033 -8.706 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.773 -14.926 -8.315 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -8.000 -15.565 -6.943 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.495 -15.972 -9.396 1.00 0.00 C ATOM 0 H LEU A 73 -7.243 -12.998 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.408 -14.807 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.815 -13.058 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.862 -14.462 -8.285 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.883 -14.301 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.147 -16.194 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.111 -14.783 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.904 -16.173 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.652 -16.593 -9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.377 -16.598 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.258 -15.471 -10.335 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.065 -11.610 -10.530 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.087 -10.621 -10.825 1.00 0.00 C ATOM 1191 C TRP A 74 -11.488 -10.780 -12.293 1.00 0.00 C ATOM 1192 O TRP A 74 -12.638 -10.537 -12.657 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.599 -9.211 -10.488 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.358 -8.099 -11.216 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.483 -7.480 -10.832 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -10.999 -7.496 -12.477 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -12.873 -6.526 -11.749 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -11.942 -6.536 -12.781 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -9.913 -7.753 -13.332 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -11.895 -5.756 -13.943 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -9.880 -6.965 -14.488 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -10.822 -5.995 -14.809 1.00 0.00 C ATOM 0 H TRP A 74 -9.144 -11.223 -10.325 1.00 0.00 H new ATOM 0 HA TRP A 74 -11.968 -10.780 -10.204 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.688 -9.054 -9.413 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.540 -9.136 -10.735 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.017 -7.700 -9.919 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -13.694 -5.924 -11.682 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.164 -8.499 -13.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -12.646 -5.011 -14.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.065 -7.122 -15.179 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.726 -5.428 -15.723 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.517 -11.187 -13.098 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.754 -11.381 -14.518 1.00 0.00 C ATOM 1215 C VAL A 75 -11.707 -12.562 -14.715 1.00 0.00 C ATOM 1216 O VAL A 75 -12.700 -12.450 -15.432 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.423 -11.558 -15.252 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.640 -12.147 -16.647 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.659 -10.235 -15.328 1.00 0.00 C ATOM 0 H VAL A 75 -9.564 -11.388 -12.793 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.233 -10.501 -14.949 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.817 -12.262 -14.682 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.678 -12.262 -17.147 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.123 -13.120 -16.560 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.274 -11.478 -17.230 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.717 -10.389 -15.854 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.258 -9.499 -15.864 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.457 -9.873 -14.320 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.370 -13.667 -14.067 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.183 -14.868 -14.162 1.00 0.00 C ATOM 1231 C LYS A 76 -13.647 -14.508 -13.904 1.00 0.00 C ATOM 1232 O LYS A 76 -14.551 -15.214 -14.350 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.644 -15.955 -13.230 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.126 -16.092 -13.367 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.724 -17.555 -13.567 1.00 0.00 C ATOM 1236 CE LYS A 76 -10.251 -18.429 -12.428 1.00 0.00 C ATOM 1237 NZ LYS A 76 -9.196 -18.651 -11.414 1.00 0.00 N ATOM 0 H LYS A 76 -10.545 -13.756 -13.474 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.129 -15.287 -15.167 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.899 -15.714 -12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.121 -16.907 -13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.778 -15.497 -14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.639 -15.696 -12.476 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.115 -17.916 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.638 -17.634 -13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.114 -17.951 -11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.591 -19.386 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.636 -18.889 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.582 -19.434 -11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.628 -17.786 -11.309 1.00 0.00 H new ATOM 1251 N SER A 77 -13.837 -13.411 -13.187 1.00 0.00 N ATOM 1252 CA SER A 77 -15.177 -12.949 -12.865 1.00 0.00 C ATOM 1253 C SER A 77 -15.722 -12.088 -14.006 1.00 0.00 C ATOM 1254 O SER A 77 -16.920 -12.103 -14.282 1.00 0.00 O ATOM 1255 CB SER A 77 -15.187 -12.161 -11.554 1.00 0.00 C ATOM 1256 OG SER A 77 -16.003 -12.782 -10.564 1.00 0.00 O ATOM 0 H SER A 77 -13.085 -12.828 -12.819 1.00 0.00 H new ATOM 0 HA SER A 77 -15.818 -13.821 -12.738 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.168 -12.069 -11.178 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.550 -11.150 -11.741 1.00 0.00 H new ATOM 0 HG SER A 77 -15.982 -12.250 -9.742 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.815 -11.359 -14.640 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.190 -10.493 -15.745 1.00 0.00 C ATOM 1264 C LEU A 78 -16.032 -11.287 -16.745 1.00 0.00 C ATOM 1265 O LEU A 78 -15.589 -12.312 -17.260 1.00 0.00 O ATOM 1266 CB LEU A 78 -13.949 -9.846 -16.363 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.291 -8.736 -15.541 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.271 -7.963 -16.379 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.344 -7.813 -14.924 1.00 0.00 C ATOM 0 H LEU A 78 -13.821 -11.350 -14.409 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.808 -9.668 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.209 -10.625 -16.542 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.223 -9.437 -17.335 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.746 -9.198 -14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.819 -7.180 -15.770 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.496 -8.645 -16.728 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.771 -7.512 -17.236 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.850 -7.033 -14.345 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.937 -7.356 -15.717 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.997 -8.392 -14.270 1.00 0.00 H new ATOM 1281 N SER A 79 -17.233 -10.783 -16.991 1.00 0.00 N ATOM 1282 CA SER A 79 -18.142 -11.432 -17.920 1.00 0.00 C ATOM 1283 C SER A 79 -17.427 -11.706 -19.245 1.00 0.00 C ATOM 1284 O SER A 79 -16.258 -11.361 -19.407 1.00 0.00 O ATOM 1285 CB SER A 79 -19.390 -10.579 -18.157 1.00 0.00 C ATOM 1286 OG SER A 79 -19.376 -9.957 -19.439 1.00 0.00 O ATOM 0 H SER A 79 -17.597 -9.932 -16.562 1.00 0.00 H new ATOM 0 HA SER A 79 -18.460 -12.378 -17.483 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.279 -11.204 -18.067 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.458 -9.814 -17.384 1.00 0.00 H new ATOM 0 HG SER A 79 -20.190 -9.423 -19.552 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.180 -12.341 -20.183 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.631 -12.666 -21.489 1.00 0.00 C ATOM 1294 C PRO A 80 -17.528 -11.417 -22.366 1.00 0.00 C ATOM 1295 O PRO A 80 -16.827 -11.420 -23.377 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.569 -13.717 -22.059 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.857 -13.604 -21.260 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.568 -12.765 -20.027 1.00 0.00 C ATOM 0 HA PRO A 80 -16.612 -13.049 -21.434 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.751 -13.544 -23.120 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.139 -14.715 -21.968 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.640 -13.142 -21.861 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.217 -14.592 -20.974 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.239 -11.908 -19.965 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.705 -13.344 -19.113 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.236 -10.378 -21.947 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.233 -9.125 -22.683 1.00 0.00 C ATOM 1308 C GLN A 81 -17.144 -8.195 -22.143 1.00 0.00 C ATOM 1309 O GLN A 81 -16.449 -7.534 -22.913 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.606 -8.452 -22.626 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.698 -9.390 -23.144 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.044 -9.081 -22.486 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.288 -7.992 -21.993 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -22.902 -10.097 -22.507 1.00 0.00 N ATOM 0 H GLN A 81 -18.815 -10.378 -21.108 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.014 -9.341 -23.729 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.829 -8.160 -21.600 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.593 -7.539 -23.222 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.786 -9.289 -24.226 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.420 -10.424 -22.942 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.633 -10.982 -22.936 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.829 -9.991 -22.094 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.030 -8.174 -20.823 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.037 -7.337 -20.171 1.00 0.00 C ATOM 1325 C ASP A 82 -14.641 -7.897 -20.449 1.00 0.00 C ATOM 1326 O ASP A 82 -13.787 -7.201 -20.997 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.245 -7.315 -18.655 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.441 -6.490 -18.178 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.579 -6.942 -18.429 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.191 -5.425 -17.573 1.00 0.00 O ATOM 0 H ASP A 82 -17.609 -8.723 -20.187 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.139 -6.325 -20.564 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.367 -8.340 -18.305 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.343 -6.924 -18.185 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.452 -9.149 -20.059 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.174 -9.810 -20.259 1.00 0.00 C ATOM 1337 C ARG A 83 -12.712 -9.644 -21.708 1.00 0.00 C ATOM 1338 O ARG A 83 -11.518 -9.507 -21.971 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.268 -11.301 -19.929 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.943 -11.823 -19.369 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.167 -13.056 -18.491 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.334 -14.180 -18.976 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.569 -14.854 -20.110 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.612 -14.523 -20.883 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.760 -15.860 -20.470 1.00 0.00 N ATOM 0 H ARG A 83 -15.163 -9.723 -19.605 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.452 -9.345 -19.588 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.064 -11.467 -19.203 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.533 -11.860 -20.827 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.271 -12.074 -20.190 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.457 -11.041 -18.786 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.915 -12.826 -17.456 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.220 -13.339 -18.508 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.531 -14.459 -18.412 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.228 -13.758 -20.608 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.790 -15.036 -21.746 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.966 -16.112 -19.881 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.938 -16.374 -21.333 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.682 -9.663 -22.611 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.390 -9.516 -24.026 1.00 0.00 C ATOM 1361 C ALA A 84 -12.710 -8.166 -24.265 1.00 0.00 C ATOM 1362 O ALA A 84 -11.919 -8.021 -25.196 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.680 -9.670 -24.833 1.00 0.00 C ATOM 0 H ALA A 84 -14.671 -9.778 -22.389 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.703 -10.294 -24.358 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.460 -9.560 -25.895 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.107 -10.656 -24.651 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.393 -8.904 -24.529 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.045 -7.212 -23.409 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.477 -5.878 -23.515 1.00 0.00 C ATOM 1371 C ALA A 85 -11.119 -5.849 -22.811 1.00 0.00 C ATOM 1372 O ALA A 85 -10.127 -5.404 -23.386 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.457 -4.858 -22.932 1.00 0.00 C ATOM 0 H ALA A 85 -13.702 -7.336 -22.639 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.313 -5.613 -24.559 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.031 -3.858 -23.011 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.395 -4.898 -23.485 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.644 -5.091 -21.884 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.117 -6.331 -21.577 1.00 0.00 N ATOM 1380 CA TYR A 86 -9.897 -6.366 -20.789 1.00 0.00 C ATOM 1381 C TYR A 86 -8.787 -7.113 -21.530 1.00 0.00 C ATOM 1382 O TYR A 86 -7.731 -6.547 -21.807 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.244 -7.129 -19.509 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.025 -7.545 -18.683 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.377 -8.732 -18.958 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.573 -6.732 -17.663 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.230 -9.123 -18.180 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.425 -7.123 -16.886 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.811 -8.300 -17.183 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.727 -8.669 -16.448 1.00 0.00 O ATOM 0 H TYR A 86 -11.941 -6.701 -21.103 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.540 -5.356 -20.589 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.893 -6.507 -18.892 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.813 -8.021 -19.773 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.730 -9.368 -19.757 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.080 -5.803 -17.448 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.714 -10.050 -18.384 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.060 -6.496 -16.086 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.542 -7.984 -15.772 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.064 -8.374 -21.829 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.102 -9.205 -22.532 1.00 0.00 C ATOM 1402 C LYS A 87 -7.741 -8.544 -23.864 1.00 0.00 C ATOM 1403 O LYS A 87 -6.599 -8.628 -24.314 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.633 -10.633 -22.678 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.714 -11.633 -21.974 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.824 -12.364 -22.981 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.947 -13.880 -22.823 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.617 -14.562 -24.095 1.00 0.00 N ATOM 0 H LYS A 87 -9.941 -8.840 -21.597 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.180 -9.290 -21.957 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.636 -10.697 -22.257 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.714 -10.889 -23.734 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.093 -11.111 -21.246 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.313 -12.356 -21.421 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.104 -12.077 -23.995 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.786 -12.063 -22.840 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.278 -14.225 -22.034 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.961 -14.139 -22.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.705 -15.591 -23.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.272 -14.246 -24.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.642 -14.329 -24.371 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.736 -7.901 -24.458 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.538 -7.226 -25.729 1.00 0.00 C ATOM 1424 C GLU A 88 -7.421 -6.187 -25.610 1.00 0.00 C ATOM 1425 O GLU A 88 -6.686 -5.948 -26.567 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.837 -6.582 -26.216 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.549 -5.349 -27.075 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.634 -5.154 -28.137 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -10.557 -5.864 -29.163 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.515 -4.301 -27.898 1.00 0.00 O ATOM 0 H GLU A 88 -9.682 -7.833 -24.082 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.240 -7.968 -26.470 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.412 -7.306 -26.794 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.450 -6.298 -25.360 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.493 -4.464 -26.441 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.578 -5.457 -27.558 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.330 -5.597 -24.427 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.315 -4.589 -24.171 1.00 0.00 C ATOM 1439 C TYR A 89 -5.015 -5.231 -23.681 1.00 0.00 C ATOM 1440 O TYR A 89 -3.932 -4.688 -23.893 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.878 -3.697 -23.063 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.808 -2.984 -22.233 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.145 -3.664 -21.232 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.505 -1.662 -22.486 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.138 -2.994 -20.451 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.498 -0.992 -21.705 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.864 -1.691 -20.726 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.912 -1.058 -19.989 1.00 0.00 O ATOM 0 H TYR A 89 -7.942 -5.797 -23.636 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.088 -4.034 -25.081 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.534 -2.950 -23.510 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.493 -4.304 -22.399 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.382 -4.699 -21.034 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.023 -1.130 -23.270 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.612 -3.515 -19.664 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.252 0.043 -21.893 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.822 -0.132 -20.297 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.166 -6.378 -23.035 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.018 -7.100 -22.514 1.00 0.00 C ATOM 1460 C ILE A 90 -3.104 -7.501 -23.673 1.00 0.00 C ATOM 1461 O ILE A 90 -1.978 -7.017 -23.777 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.473 -8.280 -21.653 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.262 -7.797 -20.434 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.285 -9.158 -21.255 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.322 -7.409 -19.291 1.00 0.00 C ATOM 0 H ILE A 90 -6.066 -6.825 -22.861 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.433 -6.460 -21.853 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.146 -8.898 -22.248 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.877 -6.941 -20.710 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.940 -8.582 -20.101 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.636 -9.989 -20.644 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.802 -9.546 -22.152 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.569 -8.565 -20.685 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.908 -7.069 -18.437 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.726 -8.274 -19.001 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.661 -6.607 -19.620 1.00 0.00 H new