USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 55 TYR OH : rot -31:sc= 0.745 USER MOD Set 2.2: A 80 TYR OH : rot -26:sc= 1.24 USER MOD Set 3.1: A 26 THR OG1 : rot 75:sc= 0.609 USER MOD Set 3.2: A 68 HIS : no HE2:sc= 0.977 K(o=1.6,f=-7.2!) USER MOD Single : A 12 MET CE :methyl -176:sc= -0.469 (180deg=-0.476) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.631 K(o=-0.63,f=-3.2!) USER MOD Single : A 17 TYR OH : rot 70:sc= -0.0029 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 32:sc= 0.63 USER MOD Single : A 29 CYS SG : rot -118:sc= -1.65! USER MOD Single : A 34 ASN : amide:sc= -0.0435 K(o=-0.044,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= 0.991 (180deg=0.434) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 54:sc= 1.34 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 1.56 (180deg=1.52) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -56:sc= 0.437 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 64 THR OG1 : rot 120:sc= 0.708 USER MOD Single : A 65 CYS SG : rot -104:sc= 1.69 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -75:sc= 0.486 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -160:sc= 0 USER MOD Single : A 73 THR OG1 : rot -47:sc= 0.774 USER MOD Single : A 79 ASN : amide:sc= -0.0209 K(o=-0.021,f=-0.72) USER MOD Single : A 83 MET CE :methyl -127:sc= -0.37 (180deg=-0.667) USER MOD Single : A 86 ASN : amide:sc= -0.624! C(o=-0.62!,f=-12!) USER MOD Single : A 88 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.19) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 100:sc= 0.128 USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0249 (180deg=-0.307) USER MOD Single : A 100 GLN : amide:sc= -0.0515 X(o=-0.052,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.652 10.079 4.158 1.00 0.00 N ATOM 67 CA ALA A 7 -2.996 10.377 3.678 1.00 0.00 C ATOM 68 C ALA A 7 -3.676 11.423 4.558 1.00 0.00 C ATOM 69 O ALA A 7 -3.470 11.453 5.770 1.00 0.00 O ATOM 70 CB ALA A 7 -3.837 9.110 3.616 1.00 0.00 C ATOM 0 HA ALA A 7 -2.907 10.786 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.836 9.354 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.370 8.396 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.907 8.671 4.611 1.00 0.00 H new ATOM 76 N PRO A 8 -4.480 12.278 3.937 1.00 0.00 N ATOM 77 CA PRO A 8 -5.188 13.327 4.663 1.00 0.00 C ATOM 78 C PRO A 8 -6.003 12.746 5.812 1.00 0.00 C ATOM 79 O PRO A 8 -6.767 11.796 5.627 1.00 0.00 O ATOM 80 CB PRO A 8 -6.075 13.984 3.601 1.00 0.00 C ATOM 81 CG PRO A 8 -5.361 13.737 2.317 1.00 0.00 C ATOM 82 CD PRO A 8 -4.738 12.375 2.462 1.00 0.00 C ATOM 0 HA PRO A 8 -4.515 14.046 5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.073 13.546 3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.196 15.051 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.050 13.766 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.603 14.499 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.406 11.586 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.818 12.288 1.885 1.00 0.00 H new ATOM 90 N PHE A 9 -5.840 13.319 6.999 1.00 0.00 N ATOM 91 CA PHE A 9 -6.667 12.962 8.144 1.00 0.00 C ATOM 92 C PHE A 9 -6.733 14.102 9.152 1.00 0.00 C ATOM 93 O PHE A 9 -5.706 14.610 9.600 1.00 0.00 O ATOM 94 CB PHE A 9 -6.133 11.695 8.814 1.00 0.00 C ATOM 95 CG PHE A 9 -6.893 11.294 10.046 1.00 0.00 C ATOM 96 CD1 PHE A 9 -8.103 10.623 9.944 1.00 0.00 C ATOM 97 CD2 PHE A 9 -6.402 11.588 11.308 1.00 0.00 C ATOM 98 CE1 PHE A 9 -8.803 10.253 11.076 1.00 0.00 C ATOM 99 CE2 PHE A 9 -7.099 11.219 12.442 1.00 0.00 C ATOM 100 CZ PHE A 9 -8.302 10.551 12.325 1.00 0.00 C ATOM 0 H PHE A 9 -5.140 14.035 7.193 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.677 12.771 7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.164 10.875 8.096 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.087 11.848 9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.502 10.387 8.969 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.463 12.112 11.406 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.743 9.730 10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.703 11.453 13.419 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.849 10.263 13.210 1.00 0.00 H new ATOM 110 N PHE A 10 -7.951 14.502 9.507 1.00 0.00 N ATOM 111 CA PHE A 10 -8.155 15.595 10.448 1.00 0.00 C ATOM 112 C PHE A 10 -7.669 15.220 11.843 1.00 0.00 C ATOM 113 O PHE A 10 -8.437 14.719 12.663 1.00 0.00 O ATOM 114 CB PHE A 10 -9.632 15.992 10.492 1.00 0.00 C ATOM 115 CG PHE A 10 -10.096 16.734 9.271 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.792 18.075 9.098 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.839 16.090 8.292 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.221 18.759 7.977 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.267 16.771 7.169 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.958 18.105 7.011 1.00 0.00 C ATOM 0 H PHE A 10 -8.812 14.083 9.155 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.569 16.447 10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.237 15.093 10.612 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.806 16.613 11.371 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.213 18.592 9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.085 15.045 8.409 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.980 19.805 7.857 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.844 16.258 6.414 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.292 18.637 6.133 1.00 0.00 H new ATOM 130 N GLU A 11 -6.389 15.464 12.102 1.00 0.00 N ATOM 131 CA GLU A 11 -5.820 15.229 13.423 1.00 0.00 C ATOM 132 C GLU A 11 -6.499 16.088 14.479 1.00 0.00 C ATOM 133 O GLU A 11 -6.505 15.750 15.663 1.00 0.00 O ATOM 134 CB GLU A 11 -4.314 15.502 13.412 1.00 0.00 C ATOM 135 CG GLU A 11 -3.941 16.962 13.196 1.00 0.00 C ATOM 136 CD GLU A 11 -2.450 17.147 13.171 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.809 16.789 14.131 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.936 17.542 12.150 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.727 15.824 11.415 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.990 14.183 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.890 15.167 14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.854 14.902 12.627 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.369 17.314 12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.372 17.571 13.991 1.00 0.00 H new ATOM 145 N MET A 12 -7.067 17.212 14.045 1.00 0.00 N ATOM 146 CA MET A 12 -7.922 18.019 14.906 1.00 0.00 C ATOM 147 C MET A 12 -9.275 18.272 14.255 1.00 0.00 C ATOM 148 O MET A 12 -9.378 19.018 13.281 1.00 0.00 O ATOM 149 CB MET A 12 -7.238 19.343 15.237 1.00 0.00 C ATOM 150 CG MET A 12 -8.047 20.259 16.146 1.00 0.00 C ATOM 151 SD MET A 12 -7.180 21.792 16.537 1.00 0.00 S ATOM 152 CE MET A 12 -7.345 22.678 14.989 1.00 0.00 C ATOM 0 H MET A 12 -6.949 17.582 13.102 1.00 0.00 H new ATOM 0 HA MET A 12 -8.091 17.466 15.830 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.280 19.134 15.712 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.025 19.870 14.307 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.996 20.495 15.665 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.281 19.732 17.071 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.797 23.619 15.048 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.940 22.072 14.178 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.398 22.883 14.798 1.00 0.00 H new ATOM 162 N LYS A 13 -10.315 17.647 14.802 1.00 0.00 N ATOM 163 CA LYS A 13 -11.624 17.636 14.159 1.00 0.00 C ATOM 164 C LYS A 13 -12.539 18.705 14.750 1.00 0.00 C ATOM 165 O LYS A 13 -12.226 19.295 15.787 1.00 0.00 O ATOM 166 CB LYS A 13 -12.273 16.257 14.291 1.00 0.00 C ATOM 167 CG LYS A 13 -11.510 15.135 13.602 1.00 0.00 C ATOM 168 CD LYS A 13 -12.276 13.822 13.668 1.00 0.00 C ATOM 169 CE LYS A 13 -11.544 12.714 12.926 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.292 11.428 12.966 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.276 17.143 15.688 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.478 17.860 13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.373 16.016 15.349 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.281 16.302 13.878 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.330 15.401 12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.535 15.013 14.073 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.417 13.533 14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.268 13.956 13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.391 13.012 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.557 12.573 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.759 10.700 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.417 11.129 13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.224 11.555 12.523 1.00 0.00 H new ATOM 184 N LEU A 14 -13.660 18.949 14.085 1.00 0.00 N ATOM 185 CA LEU A 14 -14.595 19.978 14.517 1.00 0.00 C ATOM 186 C LEU A 14 -15.612 19.420 15.504 1.00 0.00 C ATOM 187 O LEU A 14 -15.820 18.209 15.579 1.00 0.00 O ATOM 188 CB LEU A 14 -15.310 20.587 13.304 1.00 0.00 C ATOM 189 CG LEU A 14 -14.392 21.268 12.280 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.181 21.627 11.028 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.772 22.511 12.901 1.00 0.00 C ATOM 0 H LEU A 14 -13.944 18.448 13.243 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.028 20.758 15.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.870 19.800 12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.037 21.318 13.659 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.594 20.582 11.995 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.521 22.110 10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.597 20.721 10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.991 22.308 11.291 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.120 22.995 12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.561 23.202 13.197 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.190 22.228 13.778 1.00 0.00 H new ATOM 203 N LYS A 15 -16.240 20.309 16.266 1.00 0.00 N ATOM 204 CA LYS A 15 -17.262 19.910 17.226 1.00 0.00 C ATOM 205 C LYS A 15 -18.611 20.539 16.891 1.00 0.00 C ATOM 206 O LYS A 15 -18.689 21.455 16.072 1.00 0.00 O ATOM 207 CB LYS A 15 -16.840 20.292 18.646 1.00 0.00 C ATOM 208 CG LYS A 15 -15.594 19.573 19.147 1.00 0.00 C ATOM 209 CD LYS A 15 -15.227 20.019 20.555 1.00 0.00 C ATOM 210 CE LYS A 15 -13.996 19.285 21.064 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.625 19.710 22.442 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.059 21.312 16.237 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.369 18.827 17.168 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.664 21.367 18.683 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.665 20.081 19.326 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.764 18.496 19.137 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.761 19.771 18.472 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.041 21.093 20.562 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.066 19.836 21.227 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.184 18.211 21.054 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.159 19.469 20.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.781 19.186 22.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.421 20.730 22.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.413 19.511 23.091 1.00 0.00 H new ATOM 225 N HIS A 16 -19.664 20.041 17.531 1.00 0.00 N ATOM 226 CA HIS A 16 -20.992 20.627 17.388 1.00 0.00 C ATOM 227 C HIS A 16 -21.034 22.037 17.963 1.00 0.00 C ATOM 228 O HIS A 16 -20.939 22.226 19.176 1.00 0.00 O ATOM 229 CB HIS A 16 -22.048 19.752 18.070 1.00 0.00 C ATOM 230 CG HIS A 16 -23.448 20.250 17.892 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.530 19.668 18.520 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.945 21.274 17.158 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.632 20.314 18.179 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.303 21.291 17.353 1.00 0.00 N ATOM 0 H HIS A 16 -19.624 19.234 18.153 1.00 0.00 H new ATOM 0 HA HIS A 16 -21.216 20.682 16.323 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.979 18.739 17.673 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.825 19.693 19.135 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.487 18.866 19.148 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.378 21.951 16.536 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.631 20.082 18.518 1.00 0.00 H new ATOM 242 N TYR A 17 -21.179 23.026 17.087 1.00 0.00 N ATOM 243 CA TYR A 17 -21.130 24.425 17.490 1.00 0.00 C ATOM 244 C TYR A 17 -22.529 24.994 17.688 1.00 0.00 C ATOM 245 O TYR A 17 -23.451 24.673 16.935 1.00 0.00 O ATOM 246 CB TYR A 17 -20.369 25.254 16.454 1.00 0.00 C ATOM 247 CG TYR A 17 -18.931 24.825 16.261 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.993 25.015 17.265 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.515 24.236 15.077 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.678 24.626 17.096 1.00 0.00 C ATOM 251 CE2 TYR A 17 -17.203 23.843 14.896 1.00 0.00 C ATOM 252 CZ TYR A 17 -16.287 24.041 15.910 1.00 0.00 C ATOM 253 OH TYR A 17 -14.978 23.652 15.735 1.00 0.00 O ATOM 0 H TYR A 17 -21.332 22.882 16.089 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.604 24.477 18.443 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.889 25.189 15.498 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.388 26.301 16.756 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -18.296 25.475 18.194 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -19.229 24.082 14.282 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.960 24.779 17.888 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.896 23.384 13.968 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.787 22.881 16.308 1.00 0.00 H new ATOM 263 N LYS A 18 -22.684 25.834 18.703 1.00 0.00 N ATOM 264 CA LYS A 18 -23.962 26.482 18.972 1.00 0.00 C ATOM 265 C LYS A 18 -23.787 27.984 19.172 1.00 0.00 C ATOM 266 O LYS A 18 -23.354 28.431 20.233 1.00 0.00 O ATOM 267 CB LYS A 18 -24.628 25.861 20.200 1.00 0.00 C ATOM 268 CG LYS A 18 -25.031 24.402 20.027 1.00 0.00 C ATOM 269 CD LYS A 18 -25.830 23.903 21.221 1.00 0.00 C ATOM 270 CE LYS A 18 -26.234 22.446 21.049 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.862 21.893 22.279 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.940 26.083 19.355 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.604 26.327 18.105 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.946 25.939 21.047 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.515 26.443 20.451 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.623 24.292 19.119 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.139 23.789 19.902 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.237 24.013 22.129 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.722 24.517 21.346 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.931 22.359 20.216 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.355 21.854 20.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.122 20.899 22.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.188 21.952 23.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.715 22.441 22.510 1.00 0.00 H new ATOM 285 N ILE A 19 -24.131 28.755 18.145 1.00 0.00 N ATOM 286 CA ILE A 19 -23.854 30.187 18.140 1.00 0.00 C ATOM 287 C ILE A 19 -25.138 30.992 18.003 1.00 0.00 C ATOM 288 O ILE A 19 -26.038 30.623 17.248 1.00 0.00 O ATOM 289 CB ILE A 19 -22.891 30.573 17.002 1.00 0.00 C ATOM 290 CG1 ILE A 19 -21.571 29.810 17.137 1.00 0.00 C ATOM 291 CG2 ILE A 19 -22.645 32.074 17.000 1.00 0.00 C ATOM 292 CD1 ILE A 19 -20.806 30.134 18.399 1.00 0.00 C ATOM 0 H ILE A 19 -24.601 28.413 17.307 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.382 30.421 19.094 1.00 0.00 H new ATOM 0 HB ILE A 19 -23.350 30.300 16.052 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.777 28.740 17.112 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -20.943 30.034 16.275 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -21.962 32.330 16.190 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.590 32.597 16.857 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -22.206 32.372 17.952 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -19.883 29.555 18.424 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -20.568 31.198 18.417 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -21.415 29.883 19.268 1.00 0.00 H new ATOM 304 N PHE A 20 -25.219 32.100 18.737 1.00 0.00 N ATOM 305 CA PHE A 20 -26.416 32.930 18.742 1.00 0.00 C ATOM 306 C PHE A 20 -26.570 33.683 17.428 1.00 0.00 C ATOM 307 O PHE A 20 -25.585 34.022 16.775 1.00 0.00 O ATOM 308 CB PHE A 20 -26.378 33.915 19.912 1.00 0.00 C ATOM 309 CG PHE A 20 -26.640 33.280 21.247 1.00 0.00 C ATOM 310 CD1 PHE A 20 -27.935 33.018 21.666 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.589 32.940 22.088 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.178 32.436 22.895 1.00 0.00 C ATOM 313 CE2 PHE A 20 -25.829 32.356 23.317 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.123 32.104 23.721 1.00 0.00 C ATOM 0 H PHE A 20 -24.467 32.442 19.336 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.278 32.273 18.860 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.402 34.399 19.936 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.118 34.697 19.741 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.765 33.272 21.023 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.573 33.134 21.778 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.193 32.241 23.209 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.002 32.097 23.962 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.311 31.648 24.682 1.00 0.00 H new ATOM 324 N GLU A 21 -27.816 33.937 17.042 1.00 0.00 N ATOM 325 CA GLU A 21 -28.104 34.648 15.801 1.00 0.00 C ATOM 326 C GLU A 21 -27.385 35.991 15.756 1.00 0.00 C ATOM 327 O GLU A 21 -27.562 36.834 16.637 1.00 0.00 O ATOM 328 CB GLU A 21 -29.612 34.854 15.638 1.00 0.00 C ATOM 329 CG GLU A 21 -30.015 35.539 14.340 1.00 0.00 C ATOM 330 CD GLU A 21 -31.509 35.678 14.239 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.194 35.167 15.092 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.961 36.390 13.372 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.643 33.661 17.571 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.739 34.037 14.975 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.107 33.884 15.692 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -29.978 35.446 16.476 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.551 36.524 14.286 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.642 34.965 13.492 1.00 0.00 H new ATOM 339 N GLY A 22 -26.572 36.187 14.723 1.00 0.00 N ATOM 340 CA GLY A 22 -25.913 37.467 14.498 1.00 0.00 C ATOM 341 C GLY A 22 -24.555 37.516 15.187 1.00 0.00 C ATOM 342 O GLY A 22 -23.804 38.477 15.028 1.00 0.00 O ATOM 0 H GLY A 22 -26.354 35.474 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.787 37.631 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.543 38.274 14.872 1.00 0.00 H new ATOM 346 N MET A 23 -24.247 36.477 15.953 1.00 0.00 N ATOM 347 CA MET A 23 -23.004 36.425 16.713 1.00 0.00 C ATOM 348 C MET A 23 -21.855 35.910 15.857 1.00 0.00 C ATOM 349 O MET A 23 -22.001 34.922 15.135 1.00 0.00 O ATOM 350 CB MET A 23 -23.177 35.543 17.949 1.00 0.00 C ATOM 351 CG MET A 23 -21.927 35.405 18.804 1.00 0.00 C ATOM 352 SD MET A 23 -22.208 34.431 20.297 1.00 0.00 S ATOM 353 CE MET A 23 -20.524 34.079 20.794 1.00 0.00 C ATOM 0 H MET A 23 -24.843 35.657 16.065 1.00 0.00 H new ATOM 0 HA MET A 23 -22.761 37.439 17.030 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.979 35.953 18.563 1.00 0.00 H new ATOM 0 HB3 MET A 23 -23.495 34.551 17.630 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.138 34.939 18.214 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.572 36.397 19.084 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.531 33.482 21.706 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.019 33.526 20.002 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.996 35.015 20.977 1.00 0.00 H new ATOM 363 N PRO A 24 -20.715 36.582 15.943 1.00 0.00 N ATOM 364 CA PRO A 24 -19.508 36.133 15.255 1.00 0.00 C ATOM 365 C PRO A 24 -18.940 34.874 15.901 1.00 0.00 C ATOM 366 O PRO A 24 -19.076 34.669 17.106 1.00 0.00 O ATOM 367 CB PRO A 24 -18.549 37.321 15.369 1.00 0.00 C ATOM 368 CG PRO A 24 -18.952 38.005 16.630 1.00 0.00 C ATOM 369 CD PRO A 24 -20.448 37.848 16.708 1.00 0.00 C ATOM 0 HA PRO A 24 -19.692 35.857 14.217 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.511 36.991 15.411 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.638 37.987 14.510 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.464 37.555 17.495 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.667 39.057 16.615 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.789 37.771 17.740 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.963 38.700 16.265 1.00 0.00 H new ATOM 377 N VAL A 25 -18.300 34.038 15.091 1.00 0.00 N ATOM 378 CA VAL A 25 -17.698 32.806 15.585 1.00 0.00 C ATOM 379 C VAL A 25 -16.503 32.397 14.730 1.00 0.00 C ATOM 380 O VAL A 25 -16.564 32.435 13.500 1.00 0.00 O ATOM 381 CB VAL A 25 -18.717 31.651 15.612 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.241 31.370 14.212 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.087 30.399 16.206 1.00 0.00 C ATOM 0 H VAL A 25 -18.185 34.191 14.089 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.362 33.005 16.603 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.557 31.947 16.241 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.960 30.551 14.250 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.728 32.263 13.820 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.411 31.094 13.561 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.821 29.593 16.218 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.230 30.101 15.602 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.759 30.605 17.225 1.00 0.00 H new ATOM 393 N THR A 26 -15.417 32.007 15.390 1.00 0.00 N ATOM 394 CA THR A 26 -14.241 31.495 14.692 1.00 0.00 C ATOM 395 C THR A 26 -13.928 30.063 15.117 1.00 0.00 C ATOM 396 O THR A 26 -13.862 29.761 16.307 1.00 0.00 O ATOM 397 CB THR A 26 -13.004 32.374 14.946 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.278 33.720 14.534 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.805 31.847 14.172 1.00 0.00 C ATOM 0 H THR A 26 -15.326 32.035 16.406 1.00 0.00 H new ATOM 0 HA THR A 26 -14.476 31.514 13.628 1.00 0.00 H new ATOM 0 HB THR A 26 -12.775 32.351 16.011 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.864 34.150 15.191 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.940 32.482 14.364 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.585 30.828 14.491 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.029 31.853 13.105 1.00 0.00 H new ATOM 407 N PHE A 27 -13.740 29.191 14.137 1.00 0.00 N ATOM 408 CA PHE A 27 -13.383 27.801 14.402 1.00 0.00 C ATOM 409 C PHE A 27 -12.544 27.221 13.272 1.00 0.00 C ATOM 410 O PHE A 27 -12.624 27.679 12.131 1.00 0.00 O ATOM 411 CB PHE A 27 -14.641 26.956 14.610 1.00 0.00 C ATOM 412 CG PHE A 27 -15.635 27.064 13.489 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.537 28.116 13.442 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.671 26.113 12.480 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.453 28.217 12.413 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.585 26.213 11.448 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.477 27.263 11.415 1.00 0.00 C ATOM 0 H PHE A 27 -13.829 29.421 13.147 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.786 27.779 15.314 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.351 25.912 14.727 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.122 27.259 15.540 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.523 28.866 14.219 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.977 25.285 12.501 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.150 29.042 12.389 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.600 25.468 10.667 1.00 0.00 H new ATOM 0 HZ PHE A 27 -18.193 27.340 10.610 1.00 0.00 H new ATOM 427 N THR A 28 -11.743 26.213 13.592 1.00 0.00 N ATOM 428 CA THR A 28 -10.671 25.774 12.707 1.00 0.00 C ATOM 429 C THR A 28 -10.448 24.271 12.814 1.00 0.00 C ATOM 430 O THR A 28 -10.825 23.647 13.805 1.00 0.00 O ATOM 431 CB THR A 28 -9.350 26.502 13.016 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.357 26.127 12.052 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.857 26.145 14.410 1.00 0.00 C ATOM 0 H THR A 28 -11.815 25.683 14.460 1.00 0.00 H new ATOM 0 HA THR A 28 -10.982 26.020 11.692 1.00 0.00 H new ATOM 0 HB THR A 28 -9.526 27.577 12.968 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.789 25.941 11.193 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.922 26.669 14.611 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.604 26.440 15.147 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.691 25.070 14.473 1.00 0.00 H new ATOM 441 N CYS A 29 -9.832 23.693 11.787 1.00 0.00 N ATOM 442 CA CYS A 29 -9.528 22.269 11.779 1.00 0.00 C ATOM 443 C CYS A 29 -8.166 21.998 11.158 1.00 0.00 C ATOM 444 O CYS A 29 -7.723 22.727 10.268 1.00 0.00 O ATOM 445 CB CYS A 29 -10.642 21.692 10.905 1.00 0.00 C ATOM 446 SG CYS A 29 -11.059 19.968 11.263 1.00 0.00 S ATOM 0 H CYS A 29 -9.534 24.192 10.949 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.485 21.836 12.778 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.537 22.302 11.029 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.344 21.771 9.859 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.833 19.239 10.210 1.00 0.00 H new ATOM 452 N ARG A 30 -7.501 20.948 11.630 1.00 0.00 N ATOM 453 CA ARG A 30 -6.122 20.682 11.250 1.00 0.00 C ATOM 454 C ARG A 30 -5.972 19.279 10.664 1.00 0.00 C ATOM 455 O ARG A 30 -6.536 18.318 11.185 1.00 0.00 O ATOM 456 CB ARG A 30 -5.157 20.912 12.403 1.00 0.00 C ATOM 457 CG ARG A 30 -3.697 20.634 12.081 1.00 0.00 C ATOM 458 CD ARG A 30 -2.757 20.937 13.191 1.00 0.00 C ATOM 459 NE ARG A 30 -2.587 22.356 13.466 1.00 0.00 N ATOM 460 CZ ARG A 30 -2.030 22.857 14.585 1.00 0.00 C ATOM 461 NH1 ARG A 30 -1.623 22.064 15.552 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 -1.926 24.169 14.698 1.00 0.00 N ATOM 0 H ARG A 30 -7.898 20.267 12.278 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.858 21.398 10.471 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.250 21.946 12.735 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.456 20.280 13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.591 19.584 11.807 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.411 21.221 11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.112 20.444 14.096 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.784 20.506 12.954 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.913 23.018 12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.727 21.053 15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.203 22.460 16.393 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.263 24.774 13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.508 24.577 15.534 1.00 0.00 H new ATOM 476 N VAL A 31 -5.212 19.174 9.582 1.00 0.00 N ATOM 477 CA VAL A 31 -5.043 17.905 8.884 1.00 0.00 C ATOM 478 C VAL A 31 -3.592 17.439 8.932 1.00 0.00 C ATOM 479 O VAL A 31 -2.678 18.197 8.613 1.00 0.00 O ATOM 480 CB VAL A 31 -5.493 18.003 7.414 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.260 16.683 6.696 1.00 0.00 C ATOM 482 CG2 VAL A 31 -6.958 18.401 7.331 1.00 0.00 C ATOM 0 H VAL A 31 -4.701 19.954 9.167 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.672 17.178 9.398 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.898 18.773 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.584 16.771 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.199 16.435 6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.830 15.895 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.259 18.465 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.567 17.653 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.099 19.370 7.810 1.00 0.00 H new ATOM 492 N ALA A 32 -3.393 16.189 9.333 1.00 0.00 N ATOM 493 CA ALA A 32 -2.071 15.578 9.301 1.00 0.00 C ATOM 494 C ALA A 32 -1.777 14.957 7.942 1.00 0.00 C ATOM 495 O ALA A 32 -1.640 13.741 7.820 1.00 0.00 O ATOM 496 CB ALA A 32 -1.943 14.531 10.402 1.00 0.00 C ATOM 0 H ALA A 32 -4.131 15.579 9.684 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.336 16.364 9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.950 14.084 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.092 15.004 11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.696 13.756 10.256 1.00 0.00 H new ATOM 502 N GLY A 33 -1.686 15.803 6.922 1.00 0.00 N ATOM 503 CA GLY A 33 -1.523 15.335 5.550 1.00 0.00 C ATOM 504 C GLY A 33 -0.110 15.589 5.047 1.00 0.00 C ATOM 505 O GLY A 33 0.574 16.500 5.513 1.00 0.00 O ATOM 0 H GLY A 33 -1.722 16.818 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.744 14.269 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.239 15.841 4.903 1.00 0.00 H new ATOM 509 N ASN A 34 0.329 14.776 4.081 1.00 0.00 N ATOM 510 CA ASN A 34 1.640 14.953 3.463 1.00 0.00 C ATOM 511 C ASN A 34 1.689 14.300 2.102 1.00 0.00 C ATOM 512 O ASN A 34 1.736 13.072 1.986 1.00 0.00 O ATOM 513 CB ASN A 34 2.737 14.364 4.396 1.00 0.00 C ATOM 514 CG ASN A 34 4.194 14.669 4.033 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.534 14.958 2.895 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.105 14.595 4.966 1.00 0.00 N ATOM 0 H ASN A 34 -0.207 13.990 3.713 1.00 0.00 H new ATOM 0 HA ASN A 34 1.823 16.018 3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.555 14.731 5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.614 13.281 4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.083 14.777 4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.839 14.355 5.921 1.00 0.00 H new ATOM 523 N PRO A 35 1.706 15.121 1.060 1.00 0.00 N ATOM 524 CA PRO A 35 1.847 16.564 1.226 1.00 0.00 C ATOM 525 C PRO A 35 0.554 17.187 1.738 1.00 0.00 C ATOM 526 O PRO A 35 -0.494 16.547 1.752 1.00 0.00 O ATOM 527 CB PRO A 35 2.216 17.067 -0.174 1.00 0.00 C ATOM 528 CG PRO A 35 2.647 15.842 -0.907 1.00 0.00 C ATOM 529 CD PRO A 35 1.824 14.722 -0.331 1.00 0.00 C ATOM 0 HA PRO A 35 2.601 16.833 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.366 17.543 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.015 17.807 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.476 15.945 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.713 15.657 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.851 14.639 -0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.317 13.756 -0.438 1.00 0.00 H new ATOM 537 N LYS A 36 0.641 18.449 2.158 1.00 0.00 N ATOM 538 CA LYS A 36 -0.522 19.159 2.676 1.00 0.00 C ATOM 539 C LYS A 36 -1.625 19.245 1.629 1.00 0.00 C ATOM 540 O LYS A 36 -1.447 19.846 0.572 1.00 0.00 O ATOM 541 CB LYS A 36 -0.129 20.562 3.143 1.00 0.00 C ATOM 542 CG LYS A 36 0.507 20.609 4.526 1.00 0.00 C ATOM 543 CD LYS A 36 1.734 19.713 4.602 1.00 0.00 C ATOM 544 CE LYS A 36 2.250 19.599 6.028 1.00 0.00 C ATOM 545 NZ LYS A 36 1.260 18.947 6.928 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.502 18.996 2.149 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.904 18.597 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.567 20.990 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.017 21.194 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.788 21.635 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.221 20.296 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.487 18.722 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.519 20.113 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.177 19.026 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.487 20.593 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.748 18.569 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.550 19.646 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.789 18.170 6.421 1.00 0.00 H new ATOM 559 N PRO A 37 -2.768 18.637 1.934 1.00 0.00 N ATOM 560 CA PRO A 37 -3.851 18.515 0.964 1.00 0.00 C ATOM 561 C PRO A 37 -4.556 19.850 0.754 1.00 0.00 C ATOM 562 O PRO A 37 -4.338 20.804 1.498 1.00 0.00 O ATOM 563 CB PRO A 37 -4.781 17.461 1.572 1.00 0.00 C ATOM 564 CG PRO A 37 -4.513 17.531 3.037 1.00 0.00 C ATOM 565 CD PRO A 37 -3.046 17.841 3.160 1.00 0.00 C ATOM 0 HA PRO A 37 -3.500 18.224 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.826 17.677 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.569 16.468 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.119 18.303 3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.758 16.589 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.828 18.406 4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.443 16.933 3.197 1.00 0.00 H new ATOM 573 N LYS A 38 -5.407 19.910 -0.267 1.00 0.00 N ATOM 574 CA LYS A 38 -6.167 21.118 -0.559 1.00 0.00 C ATOM 575 C LYS A 38 -7.358 21.266 0.379 1.00 0.00 C ATOM 576 O LYS A 38 -8.471 20.853 0.055 1.00 0.00 O ATOM 577 CB LYS A 38 -6.642 21.112 -2.013 1.00 0.00 C ATOM 578 CG LYS A 38 -5.523 21.213 -3.042 1.00 0.00 C ATOM 579 CD LYS A 38 -6.076 21.252 -4.459 1.00 0.00 C ATOM 580 CE LYS A 38 -4.958 21.349 -5.487 1.00 0.00 C ATOM 581 NZ LYS A 38 -5.484 21.395 -6.878 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.586 19.135 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.506 21.971 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.204 20.196 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.331 21.944 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.934 22.111 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.850 20.362 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.667 20.356 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.747 22.105 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.364 22.242 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.291 20.494 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.691 21.461 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.029 20.531 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.100 22.225 -6.989 1.00 0.00 H new ATOM 595 N ILE A 39 -7.114 21.851 1.548 1.00 0.00 N ATOM 596 CA ILE A 39 -8.146 21.989 2.569 1.00 0.00 C ATOM 597 C ILE A 39 -9.027 23.203 2.297 1.00 0.00 C ATOM 598 O ILE A 39 -8.531 24.312 2.106 1.00 0.00 O ATOM 599 CB ILE A 39 -7.537 22.111 3.977 1.00 0.00 C ATOM 600 CG1 ILE A 39 -6.571 20.954 4.243 1.00 0.00 C ATOM 601 CG2 ILE A 39 -8.633 22.145 5.030 1.00 0.00 C ATOM 602 CD1 ILE A 39 -5.663 21.176 5.430 1.00 0.00 C ATOM 0 H ILE A 39 -6.208 22.238 1.812 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.754 21.085 2.527 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.979 23.046 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.147 20.042 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.960 20.793 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.184 22.231 6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.284 23.001 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.218 21.227 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.009 20.313 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.060 22.068 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.265 21.307 6.329 1.00 0.00 H new ATOM 614 N TYR A 40 -10.341 22.984 2.287 1.00 0.00 N ATOM 615 CA TYR A 40 -11.291 24.046 1.988 1.00 0.00 C ATOM 616 C TYR A 40 -12.600 23.841 2.738 1.00 0.00 C ATOM 617 O TYR A 40 -12.905 22.733 3.185 1.00 0.00 O ATOM 618 CB TYR A 40 -11.554 24.121 0.483 1.00 0.00 C ATOM 619 CG TYR A 40 -12.330 22.943 -0.064 1.00 0.00 C ATOM 620 CD1 TYR A 40 -11.685 21.760 -0.395 1.00 0.00 C ATOM 621 CD2 TYR A 40 -13.702 23.017 -0.248 1.00 0.00 C ATOM 622 CE1 TYR A 40 -12.388 20.680 -0.894 1.00 0.00 C ATOM 623 CE2 TYR A 40 -14.415 21.943 -0.747 1.00 0.00 C ATOM 624 CZ TYR A 40 -13.753 20.776 -1.069 1.00 0.00 C ATOM 625 OH TYR A 40 -14.457 19.704 -1.567 1.00 0.00 O ATOM 0 H TYR A 40 -10.769 22.079 2.483 1.00 0.00 H new ATOM 0 HA TYR A 40 -10.853 24.988 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.103 25.037 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -10.600 24.189 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.616 21.682 -0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.223 23.929 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.871 19.766 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -15.484 22.017 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.266 18.908 -1.028 1.00 0.00 H new ATOM 635 N TRP A 41 -13.376 24.911 2.870 1.00 0.00 N ATOM 636 CA TRP A 41 -14.681 24.836 3.519 1.00 0.00 C ATOM 637 C TRP A 41 -15.804 24.820 2.491 1.00 0.00 C ATOM 638 O TRP A 41 -15.690 25.412 1.419 1.00 0.00 O ATOM 639 CB TRP A 41 -14.865 26.014 4.480 1.00 0.00 C ATOM 640 CG TRP A 41 -13.903 26.002 5.629 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.641 26.515 5.640 1.00 0.00 C ATOM 642 CD2 TRP A 41 -14.127 25.455 6.935 1.00 0.00 C ATOM 643 NE1 TRP A 41 -12.065 26.320 6.871 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.958 25.673 7.686 1.00 0.00 C ATOM 645 CE3 TRP A 41 -15.209 24.802 7.543 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.835 25.263 9.003 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -15.083 24.394 8.864 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.931 24.616 9.575 1.00 0.00 C ATOM 0 H TRP A 41 -13.124 25.841 2.536 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.723 23.905 4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.747 26.946 3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.883 26.000 4.868 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -12.164 27.003 4.803 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -11.124 26.610 7.137 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -16.122 24.620 6.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.929 25.437 9.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.910 23.891 9.342 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.871 24.283 10.600 1.00 0.00 H new ATOM 659 N PHE A 42 -16.894 24.134 2.828 1.00 0.00 N ATOM 660 CA PHE A 42 -18.149 24.291 2.105 1.00 0.00 C ATOM 661 C PHE A 42 -19.346 24.049 3.018 1.00 0.00 C ATOM 662 O PHE A 42 -19.287 23.222 3.928 1.00 0.00 O ATOM 663 CB PHE A 42 -18.197 23.338 0.909 1.00 0.00 C ATOM 664 CG PHE A 42 -18.161 21.886 1.289 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.955 21.251 1.544 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.333 21.151 1.393 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.919 19.915 1.893 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.300 19.814 1.743 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.094 19.196 1.993 1.00 0.00 C ATOM 0 H PHE A 42 -16.931 23.465 3.597 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.201 25.318 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.105 23.532 0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.355 23.553 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.033 21.808 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.282 21.629 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.972 19.433 2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.220 19.254 1.821 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.068 18.152 2.267 1.00 0.00 H new ATOM 679 N LYS A 43 -20.426 24.778 2.771 1.00 0.00 N ATOM 680 CA LYS A 43 -21.592 24.743 3.650 1.00 0.00 C ATOM 681 C LYS A 43 -22.772 24.061 2.971 1.00 0.00 C ATOM 682 O LYS A 43 -23.358 24.603 2.032 1.00 0.00 O ATOM 683 CB LYS A 43 -21.980 26.157 4.084 1.00 0.00 C ATOM 684 CG LYS A 43 -22.911 26.213 5.288 1.00 0.00 C ATOM 685 CD LYS A 43 -24.368 26.261 4.858 1.00 0.00 C ATOM 686 CE LYS A 43 -25.286 26.528 6.043 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.715 26.272 5.710 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.521 25.402 1.969 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.325 24.164 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.073 26.715 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.459 26.662 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.745 25.340 5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.678 27.091 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.503 27.041 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.642 25.316 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.990 25.896 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.169 27.562 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.296 26.384 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.030 26.950 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.818 25.304 5.345 1.00 0.00 H new ATOM 701 N ASP A 44 -23.119 22.871 3.449 1.00 0.00 N ATOM 702 CA ASP A 44 -24.203 22.093 2.857 1.00 0.00 C ATOM 703 C ASP A 44 -24.010 21.936 1.356 1.00 0.00 C ATOM 704 O ASP A 44 -24.977 21.903 0.594 1.00 0.00 O ATOM 705 CB ASP A 44 -25.555 22.749 3.147 1.00 0.00 C ATOM 706 CG ASP A 44 -25.976 22.704 4.610 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.326 22.029 5.373 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.839 23.461 4.982 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.665 22.423 4.245 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.187 21.101 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.517 23.790 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.320 22.257 2.546 1.00 0.00 H new ATOM 713 N GLY A 45 -22.756 21.838 0.929 1.00 0.00 N ATOM 714 CA GLY A 45 -22.438 21.596 -0.471 1.00 0.00 C ATOM 715 C GLY A 45 -22.074 22.897 -1.183 1.00 0.00 C ATOM 716 O GLY A 45 -21.756 22.893 -2.372 1.00 0.00 O ATOM 0 H GLY A 45 -21.941 21.923 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.608 20.894 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.291 21.133 -0.966 1.00 0.00 H new ATOM 720 N LYS A 46 -22.124 24.001 -0.447 1.00 0.00 N ATOM 721 CA LYS A 46 -21.850 25.314 -1.019 1.00 0.00 C ATOM 722 C LYS A 46 -20.437 25.774 -0.684 1.00 0.00 C ATOM 723 O LYS A 46 -20.190 26.305 0.399 1.00 0.00 O ATOM 724 CB LYS A 46 -22.870 26.339 -0.524 1.00 0.00 C ATOM 725 CG LYS A 46 -24.310 26.039 -0.919 1.00 0.00 C ATOM 726 CD LYS A 46 -25.273 27.046 -0.309 1.00 0.00 C ATOM 727 CE LYS A 46 -26.708 26.761 -0.727 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.646 27.814 -0.250 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.352 24.013 0.547 1.00 0.00 H new ATOM 0 HA LYS A 46 -21.934 25.230 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.809 26.397 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.597 27.321 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.402 26.056 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.577 25.034 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.195 27.015 0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -24.995 28.053 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -26.762 26.692 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.016 25.794 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.613 27.582 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.614 27.863 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.368 28.733 -0.649 1.00 0.00 H new ATOM 742 N GLN A 47 -19.516 25.569 -1.618 1.00 0.00 N ATOM 743 CA GLN A 47 -18.118 25.936 -1.410 1.00 0.00 C ATOM 744 C GLN A 47 -17.989 27.389 -0.978 1.00 0.00 C ATOM 745 O GLN A 47 -18.554 28.287 -1.603 1.00 0.00 O ATOM 746 CB GLN A 47 -17.307 25.705 -2.688 1.00 0.00 C ATOM 747 CG GLN A 47 -15.812 25.918 -2.523 1.00 0.00 C ATOM 748 CD GLN A 47 -15.042 25.625 -3.797 1.00 0.00 C ATOM 749 OE1 GLN A 47 -15.629 25.331 -4.841 1.00 0.00 O ATOM 750 NE2 GLN A 47 -13.718 25.702 -3.717 1.00 0.00 N ATOM 0 H GLN A 47 -19.711 25.151 -2.528 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.725 25.302 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.481 24.687 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -17.675 26.376 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.626 26.948 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.443 25.277 -1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.274 25.949 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.146 25.514 -4.540 1.00 0.00 H new ATOM 759 N ILE A 48 -17.242 27.618 0.099 1.00 0.00 N ATOM 760 CA ILE A 48 -17.092 28.954 0.659 1.00 0.00 C ATOM 761 C ILE A 48 -15.836 29.633 0.132 1.00 0.00 C ATOM 762 O ILE A 48 -14.734 29.096 0.245 1.00 0.00 O ATOM 763 CB ILE A 48 -17.038 28.919 2.197 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.330 28.325 2.763 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.802 30.316 2.754 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.274 28.043 4.248 1.00 0.00 C ATOM 0 H ILE A 48 -16.731 26.892 0.601 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.967 29.525 0.349 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.205 28.284 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.152 29.012 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.554 27.398 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.767 30.273 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.856 30.704 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.614 30.974 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.226 27.624 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.474 27.331 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -18.082 28.970 4.787 1.00 0.00 H new ATOM 778 N SER A 49 -16.006 30.819 -0.442 1.00 0.00 N ATOM 779 CA SER A 49 -14.878 31.601 -0.938 1.00 0.00 C ATOM 780 C SER A 49 -14.151 32.302 0.205 1.00 0.00 C ATOM 781 O SER A 49 -14.765 33.019 0.994 1.00 0.00 O ATOM 782 CB SER A 49 -15.353 32.613 -1.962 1.00 0.00 C ATOM 783 OG SER A 49 -14.321 33.465 -2.379 1.00 0.00 O ATOM 0 H SER A 49 -16.915 31.261 -0.576 1.00 0.00 H new ATOM 0 HA SER A 49 -14.175 30.919 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.762 32.089 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.163 33.206 -1.537 1.00 0.00 H new ATOM 0 HG SER A 49 -14.668 34.100 -3.039 1.00 0.00 H new ATOM 789 N PRO A 50 -12.841 32.091 0.283 1.00 0.00 N ATOM 790 CA PRO A 50 -12.021 32.748 1.292 1.00 0.00 C ATOM 791 C PRO A 50 -12.181 34.263 1.233 1.00 0.00 C ATOM 792 O PRO A 50 -12.313 34.840 0.154 1.00 0.00 O ATOM 793 CB PRO A 50 -10.593 32.304 0.957 1.00 0.00 C ATOM 794 CG PRO A 50 -10.766 31.016 0.227 1.00 0.00 C ATOM 795 CD PRO A 50 -12.032 31.177 -0.571 1.00 0.00 C ATOM 0 HA PRO A 50 -12.304 32.477 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.081 33.044 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.996 32.172 1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.914 30.815 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.842 30.178 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.839 31.606 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.534 30.223 -0.732 1.00 0.00 H new ATOM 803 N LYS A 51 -12.161 34.902 2.398 1.00 0.00 N ATOM 804 CA LYS A 51 -12.205 36.354 2.473 1.00 0.00 C ATOM 805 C LYS A 51 -13.431 36.908 1.759 1.00 0.00 C ATOM 806 O LYS A 51 -13.331 37.846 0.968 1.00 0.00 O ATOM 807 CB LYS A 51 -10.931 36.958 1.879 1.00 0.00 C ATOM 808 CG LYS A 51 -9.651 36.569 2.607 1.00 0.00 C ATOM 809 CD LYS A 51 -8.431 37.202 1.956 1.00 0.00 C ATOM 810 CE LYS A 51 -7.148 36.779 2.656 1.00 0.00 C ATOM 811 NZ LYS A 51 -5.938 37.316 1.974 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.115 34.434 3.303 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.272 36.632 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.849 36.650 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.022 38.044 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.713 36.882 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.545 35.484 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.386 36.914 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.523 38.288 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.167 37.127 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.094 35.691 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.086 37.005 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.906 36.964 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.976 38.355 1.966 1.00 0.00 H new ATOM 825 N SER A 52 -14.589 36.321 2.041 1.00 0.00 N ATOM 826 CA SER A 52 -15.848 36.801 1.486 1.00 0.00 C ATOM 827 C SER A 52 -16.473 37.867 2.376 1.00 0.00 C ATOM 828 O SER A 52 -15.837 38.361 3.308 1.00 0.00 O ATOM 829 CB SER A 52 -16.809 35.644 1.295 1.00 0.00 C ATOM 830 OG SER A 52 -17.338 35.191 2.511 1.00 0.00 O ATOM 0 H SER A 52 -14.681 35.510 2.652 1.00 0.00 H new ATOM 0 HA SER A 52 -15.640 37.254 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 52 -17.623 35.954 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.293 34.823 0.797 1.00 0.00 H new ATOM 0 HG SER A 52 -16.606 34.941 3.113 1.00 0.00 H new ATOM 836 N ASP A 53 -17.717 38.223 2.079 1.00 0.00 N ATOM 837 CA ASP A 53 -18.398 39.295 2.794 1.00 0.00 C ATOM 838 C ASP A 53 -18.508 38.982 4.281 1.00 0.00 C ATOM 839 O ASP A 53 -18.355 39.862 5.123 1.00 0.00 O ATOM 840 CB ASP A 53 -19.790 39.533 2.202 1.00 0.00 C ATOM 841 CG ASP A 53 -19.786 40.216 0.842 1.00 0.00 C ATOM 842 OD1 ASP A 53 -18.757 40.717 0.454 1.00 0.00 O ATOM 843 OD2 ASP A 53 -20.759 40.099 0.137 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.275 37.784 1.347 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.804 40.202 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -20.302 38.575 2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -20.369 40.140 2.898 1.00 0.00 H new ATOM 848 N HIS A 54 -18.779 37.717 4.594 1.00 0.00 N ATOM 849 CA HIS A 54 -19.092 37.318 5.962 1.00 0.00 C ATOM 850 C HIS A 54 -18.308 36.080 6.369 1.00 0.00 C ATOM 851 O HIS A 54 -18.335 35.669 7.531 1.00 0.00 O ATOM 852 CB HIS A 54 -20.594 37.062 6.121 1.00 0.00 C ATOM 853 CG HIS A 54 -21.441 38.271 5.876 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.501 39.329 6.759 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.262 38.592 4.848 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.323 40.249 6.284 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.798 39.826 5.127 1.00 0.00 N ATOM 0 H HIS A 54 -18.788 36.952 3.919 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.802 38.138 6.618 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.894 36.274 5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.786 36.693 7.129 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.459 37.991 3.973 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.565 41.187 6.761 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.456 40.333 4.536 1.00 0.00 H new ATOM 865 N TYR A 55 -17.609 35.485 5.408 1.00 0.00 N ATOM 866 CA TYR A 55 -16.854 34.262 5.655 1.00 0.00 C ATOM 867 C TYR A 55 -15.395 34.429 5.252 1.00 0.00 C ATOM 868 O TYR A 55 -15.059 34.438 4.067 1.00 0.00 O ATOM 869 CB TYR A 55 -17.477 33.086 4.900 1.00 0.00 C ATOM 870 CG TYR A 55 -18.903 32.783 5.305 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.179 32.117 6.489 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.968 33.164 4.502 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.479 31.837 6.865 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.272 32.890 4.866 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.523 32.225 6.051 1.00 0.00 C ATOM 876 OH TYR A 55 -22.820 31.949 6.419 1.00 0.00 O ATOM 0 H TYR A 55 -17.550 35.830 4.450 1.00 0.00 H new ATOM 0 HA TYR A 55 -16.892 34.055 6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.451 33.298 3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.867 32.198 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.364 31.812 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.774 33.684 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -20.677 31.317 7.791 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -22.090 33.193 4.229 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.842 31.120 6.942 1.00 0.00 H new ATOM 886 N THR A 56 -14.524 34.556 6.250 1.00 0.00 N ATOM 887 CA THR A 56 -13.092 34.684 6.007 1.00 0.00 C ATOM 888 C THR A 56 -12.365 33.380 6.303 1.00 0.00 C ATOM 889 O THR A 56 -12.464 32.836 7.403 1.00 0.00 O ATOM 890 CB THR A 56 -12.472 35.809 6.857 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.091 37.058 6.527 1.00 0.00 O ATOM 892 CG2 THR A 56 -10.975 35.906 6.602 1.00 0.00 C ATOM 0 H THR A 56 -14.787 34.573 7.235 1.00 0.00 H new ATOM 0 HA THR A 56 -12.974 34.931 4.952 1.00 0.00 H new ATOM 0 HB THR A 56 -12.637 35.581 7.910 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.697 37.772 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.553 36.706 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.499 34.961 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.799 36.121 5.548 1.00 0.00 H new ATOM 900 N ILE A 57 -11.633 32.876 5.313 1.00 0.00 N ATOM 901 CA ILE A 57 -10.910 31.618 5.459 1.00 0.00 C ATOM 902 C ILE A 57 -9.404 31.848 5.486 1.00 0.00 C ATOM 903 O ILE A 57 -8.835 32.408 4.548 1.00 0.00 O ATOM 904 CB ILE A 57 -11.248 30.635 4.323 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.742 30.298 4.336 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.413 29.370 4.447 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.196 29.489 3.142 1.00 0.00 C ATOM 0 H ILE A 57 -11.525 33.320 4.401 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.226 31.184 6.408 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.010 31.110 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.972 29.745 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.314 31.225 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.665 28.687 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.355 29.626 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.620 28.890 5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.265 29.290 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.999 30.048 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.652 28.545 3.114 1.00 0.00 H new ATOM 919 N GLN A 58 -8.763 31.413 6.567 1.00 0.00 N ATOM 920 CA GLN A 58 -7.311 31.469 6.669 1.00 0.00 C ATOM 921 C GLN A 58 -6.692 30.088 6.488 1.00 0.00 C ATOM 922 O GLN A 58 -6.918 29.185 7.294 1.00 0.00 O ATOM 923 CB GLN A 58 -6.891 32.050 8.022 1.00 0.00 C ATOM 924 CG GLN A 58 -5.388 32.112 8.234 1.00 0.00 C ATOM 925 CD GLN A 58 -4.712 33.098 7.301 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.104 34.266 7.221 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.693 32.634 6.587 1.00 0.00 N ATOM 0 H GLN A 58 -9.228 31.018 7.384 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.948 32.117 5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.302 33.055 8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.334 31.449 8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.181 32.393 9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.961 31.121 8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.403 31.661 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.201 33.251 5.941 1.00 0.00 H new ATOM 936 N ARG A 59 -5.911 29.931 5.425 1.00 0.00 N ATOM 937 CA ARG A 59 -5.361 28.632 5.062 1.00 0.00 C ATOM 938 C ARG A 59 -3.885 28.539 5.423 1.00 0.00 C ATOM 939 O ARG A 59 -3.016 28.868 4.612 1.00 0.00 O ATOM 940 CB ARG A 59 -5.601 28.299 3.596 1.00 0.00 C ATOM 941 CG ARG A 59 -7.053 28.375 3.152 1.00 0.00 C ATOM 942 CD ARG A 59 -7.254 28.213 1.690 1.00 0.00 C ATOM 943 NE ARG A 59 -7.384 26.834 1.247 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.132 26.404 -0.004 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.775 27.245 -0.950 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -7.277 25.116 -0.264 1.00 0.00 N ATOM 0 H ARG A 59 -5.644 30.690 4.798 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.894 27.882 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.012 28.981 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.229 27.293 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.621 27.604 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.465 29.336 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.149 28.761 1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.414 28.671 1.168 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.688 26.143 1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.685 28.239 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.588 26.903 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.573 24.477 0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.093 24.761 -1.203 1.00 0.00 H new ATOM 960 N ASP A 60 -3.604 28.089 6.639 1.00 0.00 N ATOM 961 CA ASP A 60 -2.231 27.863 7.076 1.00 0.00 C ATOM 962 C ASP A 60 -1.575 26.744 6.274 1.00 0.00 C ATOM 963 O ASP A 60 -2.089 25.630 6.212 1.00 0.00 O ATOM 964 CB ASP A 60 -2.191 27.532 8.570 1.00 0.00 C ATOM 965 CG ASP A 60 -0.789 27.416 9.151 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.151 27.432 8.393 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.659 27.470 10.351 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.310 27.873 7.342 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.671 28.782 6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.734 28.304 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.719 26.593 8.736 1.00 0.00 H new ATOM 972 N LEU A 61 -0.437 27.051 5.663 1.00 0.00 N ATOM 973 CA LEU A 61 0.221 26.123 4.748 1.00 0.00 C ATOM 974 C LEU A 61 0.800 24.933 5.496 1.00 0.00 C ATOM 975 O LEU A 61 1.240 23.958 4.885 1.00 0.00 O ATOM 976 CB LEU A 61 1.320 26.843 3.958 1.00 0.00 C ATOM 977 CG LEU A 61 0.829 27.941 3.006 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.017 28.643 2.362 1.00 0.00 C ATOM 979 CD2 LEU A 61 -0.076 27.330 1.947 1.00 0.00 C ATOM 0 H LEU A 61 0.052 27.938 5.784 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.528 25.750 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.023 27.285 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.873 26.103 3.379 1.00 0.00 H new ATOM 0 HG LEU A 61 0.259 28.681 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.658 29.421 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.638 29.092 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.606 27.919 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.424 28.111 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.479 26.582 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.933 26.858 2.429 1.00 0.00 H new ATOM 991 N ASP A 62 0.800 25.013 6.822 1.00 0.00 N ATOM 992 CA ASP A 62 1.222 23.897 7.660 1.00 0.00 C ATOM 993 C ASP A 62 0.217 22.755 7.599 1.00 0.00 C ATOM 994 O ASP A 62 0.530 21.620 7.957 1.00 0.00 O ATOM 995 CB ASP A 62 1.411 24.355 9.109 1.00 0.00 C ATOM 996 CG ASP A 62 2.660 25.195 9.345 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.504 25.224 8.481 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.688 25.921 10.309 1.00 0.00 O1- ATOM 0 H ASP A 62 0.511 25.842 7.341 1.00 0.00 H new ATOM 0 HA ASP A 62 2.176 23.534 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.537 24.932 9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.452 23.476 9.753 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.993 23.061 7.144 1.00 0.00 N ATOM 1004 CA GLY A 63 -2.038 22.054 7.008 1.00 0.00 C ATOM 1005 C GLY A 63 -3.222 22.367 7.914 1.00 0.00 C ATOM 1006 O GLY A 63 -3.941 21.466 8.348 1.00 0.00 O ATOM 0 H GLY A 63 -1.274 24.000 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.371 22.009 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.636 21.072 7.256 1.00 0.00 H new ATOM 1010 N THR A 64 -3.427 23.648 8.190 1.00 0.00 N ATOM 1011 CA THR A 64 -4.529 24.085 9.043 1.00 0.00 C ATOM 1012 C THR A 64 -5.377 25.140 8.350 1.00 0.00 C ATOM 1013 O THR A 64 -4.852 26.055 7.717 1.00 0.00 O ATOM 1014 CB THR A 64 -4.019 24.652 10.381 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.204 23.672 11.039 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.186 25.022 11.284 1.00 0.00 C ATOM 0 H THR A 64 -2.844 24.406 7.835 1.00 0.00 H new ATOM 0 HA THR A 64 -5.139 23.204 9.241 1.00 0.00 H new ATOM 0 HB THR A 64 -3.432 25.547 10.178 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.301 24.031 11.168 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.806 25.421 12.225 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.802 25.776 10.793 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.788 24.135 11.483 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.694 25.009 8.472 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.619 25.943 7.842 1.00 0.00 C ATOM 1026 C CYS A 65 -8.668 26.433 8.837 1.00 0.00 C ATOM 1027 O CYS A 65 -9.343 25.633 9.483 1.00 0.00 O ATOM 1028 CB CYS A 65 -8.266 25.095 6.748 1.00 0.00 C ATOM 1029 SG CYS A 65 -9.289 26.025 5.583 1.00 0.00 S ATOM 0 H CYS A 65 -7.145 24.264 9.002 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.130 26.841 7.464 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.481 24.581 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.880 24.326 7.217 1.00 0.00 H new ATOM 0 HG CYS A 65 -10.545 25.816 5.845 1.00 0.00 H new ATOM 1035 N SER A 66 -8.796 27.750 8.951 1.00 0.00 N ATOM 1036 CA SER A 66 -9.709 28.346 9.917 1.00 0.00 C ATOM 1037 C SER A 66 -10.806 29.142 9.221 1.00 0.00 C ATOM 1038 O SER A 66 -10.541 29.902 8.290 1.00 0.00 O ATOM 1039 CB SER A 66 -8.944 29.232 10.881 1.00 0.00 C ATOM 1040 OG SER A 66 -9.795 29.907 11.766 1.00 0.00 O ATOM 0 H SER A 66 -8.279 28.424 8.387 1.00 0.00 H new ATOM 0 HA SER A 66 -10.184 27.540 10.476 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.239 28.625 11.449 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.358 29.958 10.318 1.00 0.00 H new ATOM 0 HG SER A 66 -9.262 30.465 12.370 1.00 0.00 H new ATOM 1046 N LEU A 67 -12.040 28.965 9.683 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.176 29.697 9.131 1.00 0.00 C ATOM 1048 C LEU A 67 -13.754 30.665 10.154 1.00 0.00 C ATOM 1049 O LEU A 67 -14.144 30.262 11.251 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.257 28.720 8.653 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.553 29.371 8.156 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.275 30.205 6.912 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.585 28.293 7.862 1.00 0.00 C ATOM 0 H LEU A 67 -12.279 28.322 10.438 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.822 30.277 8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.844 28.111 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.500 28.043 9.472 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.947 30.031 8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.202 30.663 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.552 30.985 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.872 29.565 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.506 28.757 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.200 27.621 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.789 27.727 8.771 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.806 31.941 9.790 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.432 32.953 10.633 1.00 0.00 C ATOM 1067 C HIS A 68 -15.745 33.438 10.032 1.00 0.00 C ATOM 1068 O HIS A 68 -15.778 33.926 8.901 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.485 34.139 10.845 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.130 35.312 11.516 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.572 35.271 12.822 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.410 36.556 11.062 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.096 36.443 13.142 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.009 37.238 12.092 1.00 0.00 N ATOM 0 H HIS A 68 -13.422 32.300 8.916 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.646 32.492 11.597 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.635 33.811 11.444 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.091 34.455 9.879 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -14.505 34.465 13.443 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.201 36.940 10.074 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.522 36.705 14.099 1.00 0.00 H new ATOM 1082 N THR A 69 -16.823 33.302 10.794 1.00 0.00 N ATOM 1083 CA THR A 69 -18.119 33.845 10.397 1.00 0.00 C ATOM 1084 C THR A 69 -18.417 35.144 11.135 1.00 0.00 C ATOM 1085 O THR A 69 -18.400 35.191 12.365 1.00 0.00 O ATOM 1086 CB THR A 69 -19.258 32.843 10.661 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.024 31.642 9.914 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.597 33.439 10.251 1.00 0.00 C ATOM 0 H THR A 69 -16.827 32.819 11.693 1.00 0.00 H new ATOM 0 HA THR A 69 -18.064 34.041 9.326 1.00 0.00 H new ATOM 0 HB THR A 69 -19.284 32.616 11.727 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.222 31.802 8.967 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.391 32.718 10.444 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.783 34.346 10.826 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.578 33.681 9.188 1.00 0.00 H new ATOM 1096 N THR A 70 -18.692 36.197 10.373 1.00 0.00 N ATOM 1097 CA THR A 70 -18.914 37.523 10.950 1.00 0.00 C ATOM 1098 C THR A 70 -20.223 37.574 11.722 1.00 0.00 C ATOM 1099 O THR A 70 -20.281 38.118 12.827 1.00 0.00 O ATOM 1100 CB THR A 70 -18.926 38.618 9.867 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.648 38.669 9.220 1.00 0.00 O ATOM 1102 CG2 THR A 70 -19.232 39.974 10.483 1.00 0.00 C ATOM 0 H THR A 70 -18.767 36.161 9.356 1.00 0.00 H new ATOM 0 HA THR A 70 -18.085 37.710 11.632 1.00 0.00 H new ATOM 0 HB THR A 70 -19.700 38.378 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.658 39.365 8.530 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.236 40.735 9.703 1.00 0.00 H new ATOM 0 HG22 THR A 70 -20.209 39.943 10.965 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.470 40.218 11.223 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.273 37.008 11.136 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.600 37.050 11.739 1.00 0.00 C ATOM 1112 C ALA A 71 -23.372 35.768 11.462 1.00 0.00 C ATOM 1113 O ALA A 71 -24.096 35.670 10.469 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.376 38.259 11.232 1.00 0.00 C ATOM 0 H ALA A 71 -21.231 36.515 10.244 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.476 37.140 12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.364 38.276 11.692 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.839 39.171 11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.481 38.196 10.149 1.00 0.00 H new ATOM 1120 N SER A 72 -23.214 34.784 12.343 1.00 0.00 N ATOM 1121 CA SER A 72 -23.877 33.495 12.179 1.00 0.00 C ATOM 1122 C SER A 72 -25.365 33.601 12.503 1.00 0.00 C ATOM 1123 O SER A 72 -25.798 33.233 13.594 1.00 0.00 O ATOM 1124 CB SER A 72 -23.215 32.452 13.058 1.00 0.00 C ATOM 1125 OG SER A 72 -23.750 31.174 12.850 1.00 0.00 O ATOM 0 H SER A 72 -22.632 34.855 13.178 1.00 0.00 H new ATOM 0 HA SER A 72 -23.781 33.190 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.144 32.434 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.337 32.730 14.105 1.00 0.00 H new ATOM 0 HG SER A 72 -23.546 30.604 13.621 1.00 0.00 H new ATOM 1131 N THR A 73 -26.139 34.100 11.545 1.00 0.00 N ATOM 1132 CA THR A 73 -27.576 34.241 11.720 1.00 0.00 C ATOM 1133 C THR A 73 -28.300 32.935 11.407 1.00 0.00 C ATOM 1134 O THR A 73 -27.695 31.978 10.927 1.00 0.00 O ATOM 1135 CB THR A 73 -28.146 35.360 10.829 1.00 0.00 C ATOM 1136 OG1 THR A 73 -27.982 35.006 9.450 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.429 36.674 11.100 1.00 0.00 C ATOM 0 H THR A 73 -25.792 34.413 10.638 1.00 0.00 H new ATOM 0 HA THR A 73 -27.742 34.502 12.765 1.00 0.00 H new ATOM 0 HB THR A 73 -29.205 35.482 11.057 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.069 34.682 9.302 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.845 37.454 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.562 36.952 12.146 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.366 36.559 10.887 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.600 32.905 11.687 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.374 31.673 11.579 1.00 0.00 C ATOM 1147 C LEU A 74 -30.320 31.106 10.166 1.00 0.00 C ATOM 1148 O LEU A 74 -30.311 29.891 9.976 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.829 31.925 11.996 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.701 30.668 12.111 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -32.128 29.729 13.164 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -34.127 31.069 12.465 1.00 0.00 C ATOM 0 H LEU A 74 -30.138 33.717 11.989 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.932 30.937 12.251 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -31.831 32.439 12.957 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.286 32.600 11.273 1.00 0.00 H new ATOM 0 HG LEU A 74 -32.710 30.144 11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -32.754 28.840 13.238 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -31.117 29.438 12.880 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -32.103 30.236 14.129 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -34.746 30.176 12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -34.130 31.601 13.416 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -34.527 31.718 11.686 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.282 31.996 9.179 1.00 0.00 N ATOM 1165 CA ASP A 75 -30.217 31.583 7.786 1.00 0.00 C ATOM 1166 C ASP A 75 -28.876 30.930 7.465 1.00 0.00 C ATOM 1167 O ASP A 75 -28.741 30.227 6.462 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.456 32.781 6.863 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.895 33.278 6.837 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.753 32.580 7.321 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -32.104 34.413 6.479 1.00 0.00 O1- ATOM 0 H ASP A 75 -30.295 33.006 9.320 1.00 0.00 H new ATOM 0 HA ASP A 75 -31.001 30.845 7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.807 33.600 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -30.160 32.508 5.850 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.890 31.164 8.323 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.559 30.604 8.132 1.00 0.00 C ATOM 1178 C ASP A 76 -26.419 29.261 8.840 1.00 0.00 C ATOM 1179 O ASP A 76 -25.383 28.603 8.746 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.491 31.579 8.635 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.462 32.913 7.903 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -25.539 32.908 6.696 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.521 33.927 8.555 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.988 31.739 9.160 1.00 0.00 H new ATOM 0 HA ASP A 76 -26.415 30.442 7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.657 31.764 9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.513 31.107 8.543 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.469 28.862 9.550 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.474 27.584 10.251 1.00 0.00 C ATOM 1190 C ASP A 77 -27.382 26.418 9.274 1.00 0.00 C ATOM 1191 O ASP A 77 -28.117 26.361 8.288 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.735 27.450 11.112 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.771 26.205 11.988 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -28.069 25.270 11.683 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.370 26.256 13.033 1.00 0.00 O1- ATOM 0 H ASP A 77 -28.326 29.405 9.655 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.597 27.556 10.898 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.820 28.330 11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.607 27.445 10.458 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.474 25.489 9.554 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.300 24.308 8.716 1.00 0.00 C ATOM 1202 C GLY A 78 -24.956 23.641 8.975 1.00 0.00 C ATOM 1203 O GLY A 78 -24.316 23.884 9.997 1.00 0.00 O ATOM 0 H GLY A 78 -25.846 25.531 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -27.104 23.599 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.372 24.590 7.666 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.526 22.801 8.037 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.328 21.997 8.220 1.00 0.00 C ATOM 1209 C ASN A 79 -22.166 22.548 7.402 1.00 0.00 C ATOM 1210 O ASN A 79 -22.119 22.385 6.185 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.577 20.542 7.867 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.616 19.879 8.727 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.471 19.786 9.951 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.625 19.348 8.085 1.00 0.00 N ATOM 0 H ASN A 79 -24.993 22.662 7.141 1.00 0.00 H new ATOM 0 HA ASN A 79 -23.062 22.049 9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.888 20.479 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.641 19.991 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.338 18.828 8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.698 19.454 7.073 1.00 0.00 H new ATOM 1221 N TYR A 80 -21.226 23.197 8.083 1.00 0.00 N ATOM 1222 CA TYR A 80 -20.033 23.726 7.429 1.00 0.00 C ATOM 1223 C TYR A 80 -18.961 22.655 7.294 1.00 0.00 C ATOM 1224 O TYR A 80 -17.921 22.717 7.951 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.482 24.923 8.205 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.368 26.150 8.150 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.568 26.193 8.844 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.998 27.260 7.407 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -22.381 27.309 8.797 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.803 28.382 7.352 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.993 28.403 8.049 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.798 29.518 8.000 1.00 0.00 O ATOM 0 H TYR A 80 -21.267 23.369 9.087 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.319 24.053 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.341 24.635 9.247 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.499 25.179 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.872 25.339 9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -19.066 27.248 6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -23.314 27.326 9.341 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.502 29.238 6.766 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.728 29.258 8.169 1.00 0.00 H new ATOM 1242 N THR A 81 -19.217 21.671 6.439 1.00 0.00 N ATOM 1243 CA THR A 81 -18.308 20.544 6.270 1.00 0.00 C ATOM 1244 C THR A 81 -16.983 20.993 5.668 1.00 0.00 C ATOM 1245 O THR A 81 -16.955 21.733 4.683 1.00 0.00 O ATOM 1246 CB THR A 81 -18.921 19.450 5.376 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.155 18.997 5.950 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.967 18.273 5.243 1.00 0.00 C ATOM 0 H THR A 81 -20.049 21.631 5.851 1.00 0.00 H new ATOM 0 HA THR A 81 -18.133 20.131 7.263 1.00 0.00 H new ATOM 0 HB THR A 81 -19.104 19.870 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.545 18.302 5.380 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.417 17.510 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.032 18.611 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.768 17.853 6.229 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.885 20.543 6.263 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.556 20.841 5.747 1.00 0.00 C ATOM 1258 C ILE A 82 -13.900 19.596 5.161 1.00 0.00 C ATOM 1259 O ILE A 82 -13.991 18.509 5.731 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.645 21.427 6.840 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.244 21.693 6.282 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.575 20.487 8.034 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.326 22.405 7.249 1.00 0.00 C ATOM 0 H ILE A 82 -15.890 19.969 7.106 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.683 21.583 4.959 1.00 0.00 H new ATOM 0 HB ILE A 82 -14.069 22.375 7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.790 20.744 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.332 22.289 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.927 20.917 8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.575 20.345 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.173 19.525 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.353 22.558 6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.756 23.371 7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.206 21.801 8.148 1.00 0.00 H new ATOM 1275 N MET A 83 -13.240 19.761 4.019 1.00 0.00 N ATOM 1276 CA MET A 83 -12.712 18.631 3.267 1.00 0.00 C ATOM 1277 C MET A 83 -11.269 18.872 2.843 1.00 0.00 C ATOM 1278 O MET A 83 -10.906 19.980 2.446 1.00 0.00 O ATOM 1279 CB MET A 83 -13.584 18.360 2.043 1.00 0.00 C ATOM 1280 CG MET A 83 -13.106 17.207 1.172 1.00 0.00 C ATOM 1281 SD MET A 83 -14.220 16.869 -0.207 1.00 0.00 S ATOM 1282 CE MET A 83 -15.676 16.302 0.668 1.00 0.00 C ATOM 0 H MET A 83 -13.058 20.670 3.594 1.00 0.00 H new ATOM 0 HA MET A 83 -12.728 17.757 3.918 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.601 18.151 2.376 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.627 19.264 1.436 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.114 17.437 0.784 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.009 16.310 1.784 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.986 15.335 0.271 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.447 16.202 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 83 -16.483 17.023 0.537 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.448 17.829 2.928 1.00 0.00 N ATOM 1293 CA ALA A 84 -9.104 17.870 2.370 1.00 0.00 C ATOM 1294 C ALA A 84 -8.923 16.807 1.290 1.00 0.00 C ATOM 1295 O ALA A 84 -9.492 15.719 1.373 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.070 17.689 3.474 1.00 0.00 C ATOM 0 H ALA A 84 -10.692 16.947 3.378 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.958 18.846 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.069 17.722 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.176 18.489 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.224 16.727 3.962 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.124 17.133 0.277 1.00 0.00 N ATOM 1303 CA ALA A 85 -7.920 16.237 -0.853 1.00 0.00 C ATOM 1304 C ALA A 85 -6.505 16.365 -1.409 1.00 0.00 C ATOM 1305 O ALA A 85 -6.032 17.472 -1.679 1.00 0.00 O ATOM 1306 CB ALA A 85 -8.950 16.512 -1.941 1.00 0.00 C ATOM 0 H ALA A 85 -7.608 18.011 0.218 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.049 15.214 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.784 15.834 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.952 16.356 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.852 17.542 -2.283 1.00 0.00 H new ATOM 1312 N ASN A 86 -5.838 15.230 -1.582 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.540 15.197 -2.247 1.00 0.00 C ATOM 1314 C ASN A 86 -4.301 13.853 -2.916 1.00 0.00 C ATOM 1315 O ASN A 86 -5.124 12.945 -2.823 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.411 15.508 -1.278 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.121 14.396 -0.311 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -3.684 13.300 -0.406 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.305 14.698 0.667 1.00 0.00 N ATOM 0 H ASN A 86 -6.175 14.319 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.552 15.970 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.507 15.728 -1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.663 16.408 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.109 14.013 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.866 15.618 0.699 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.164 13.730 -3.594 1.00 0.00 N ATOM 1327 CA PRO A 87 -2.844 12.523 -4.343 1.00 0.00 C ATOM 1328 C PRO A 87 -2.864 11.293 -3.445 1.00 0.00 C ATOM 1329 O PRO A 87 -3.075 10.173 -3.909 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.449 12.796 -4.915 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.379 14.280 -5.027 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.138 14.807 -3.838 1.00 0.00 C ATOM 0 HA PRO A 87 -3.571 12.309 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.668 12.410 -4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.317 12.317 -5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.346 14.626 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.823 14.625 -5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.489 14.950 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.604 15.769 -4.050 1.00 0.00 H new ATOM 1340 N GLN A 88 -2.643 11.511 -2.152 1.00 0.00 N ATOM 1341 CA GLN A 88 -2.447 10.411 -1.213 1.00 0.00 C ATOM 1342 C GLN A 88 -3.771 9.954 -0.615 1.00 0.00 C ATOM 1343 O GLN A 88 -3.824 8.965 0.115 1.00 0.00 O ATOM 1344 CB GLN A 88 -1.491 10.826 -0.090 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.120 11.266 -0.572 1.00 0.00 C ATOM 1346 CD GLN A 88 0.578 10.193 -1.388 1.00 0.00 C ATOM 1347 OE1 GLN A 88 0.591 9.017 -1.013 1.00 0.00 O ATOM 1348 NE2 GLN A 88 1.167 10.594 -2.509 1.00 0.00 N ATOM 0 H GLN A 88 -2.595 12.439 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.011 9.579 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.944 11.641 0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.371 9.989 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.222 12.168 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.498 11.525 0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.131 11.577 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.655 9.919 -3.098 1.00 0.00 H new ATOM 1357 N GLY A 89 -4.838 10.682 -0.927 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.172 10.324 -0.465 1.00 0.00 C ATOM 1359 C GLY A 89 -7.000 11.562 -0.154 1.00 0.00 C ATOM 1360 O GLY A 89 -6.668 12.667 -0.589 1.00 0.00 O ATOM 0 H GLY A 89 -4.803 11.525 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.676 9.729 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.096 9.702 0.427 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.081 11.372 0.595 1.00 0.00 N ATOM 1365 CA ARG A 90 -8.969 12.473 0.951 1.00 0.00 C ATOM 1366 C ARG A 90 -9.655 12.220 2.288 1.00 0.00 C ATOM 1367 O ARG A 90 -9.693 11.084 2.767 1.00 0.00 O ATOM 1368 CB ARG A 90 -9.980 12.773 -0.146 1.00 0.00 C ATOM 1369 CG ARG A 90 -10.962 11.649 -0.433 1.00 0.00 C ATOM 1370 CD ARG A 90 -11.917 11.936 -1.535 1.00 0.00 C ATOM 1371 NE ARG A 90 -12.887 10.882 -1.782 1.00 0.00 N ATOM 1372 CZ ARG A 90 -13.817 10.911 -2.756 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -13.933 11.952 -3.551 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -14.629 9.875 -2.877 1.00 0.00 N ATOM 0 H ARG A 90 -8.364 10.465 0.967 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.348 13.362 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.542 13.665 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.440 13.008 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.402 10.747 -0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.527 11.435 0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.452 12.858 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.353 12.115 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.862 10.063 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.313 12.754 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.643 11.958 -4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.542 9.082 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.343 9.869 -3.605 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.194 13.276 2.882 1.00 0.00 N ATOM 1389 CA VAL A 91 -10.873 13.169 4.167 1.00 0.00 C ATOM 1390 C VAL A 91 -11.841 14.330 4.374 1.00 0.00 C ATOM 1391 O VAL A 91 -11.599 15.441 3.907 1.00 0.00 O ATOM 1392 CB VAL A 91 -9.869 13.133 5.335 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.132 14.461 5.444 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.581 12.812 6.640 1.00 0.00 C ATOM 0 H VAL A 91 -10.174 14.219 2.494 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.431 12.233 4.153 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.139 12.348 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.427 14.419 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.591 14.654 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.850 15.262 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.856 12.791 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.332 13.576 6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.066 11.839 6.560 1.00 0.00 H new ATOM 1404 N SER A 92 -12.935 14.062 5.081 1.00 0.00 N ATOM 1405 CA SER A 92 -13.952 15.076 5.330 1.00 0.00 C ATOM 1406 C SER A 92 -14.408 15.057 6.782 1.00 0.00 C ATOM 1407 O SER A 92 -14.356 14.021 7.447 1.00 0.00 O ATOM 1408 CB SER A 92 -15.133 14.867 4.402 1.00 0.00 C ATOM 1409 OG SER A 92 -15.787 13.652 4.648 1.00 0.00 O ATOM 0 H SER A 92 -13.139 13.151 5.491 1.00 0.00 H new ATOM 0 HA SER A 92 -13.512 16.054 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.838 15.689 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.790 14.891 3.368 1.00 0.00 H new ATOM 0 HG SER A 92 -16.542 13.556 4.031 1.00 0.00 H new ATOM 1415 N CYS A 93 -14.856 16.209 7.271 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.392 16.311 8.623 1.00 0.00 C ATOM 1417 C CYS A 93 -16.449 17.401 8.715 1.00 0.00 C ATOM 1418 O CYS A 93 -16.219 18.539 8.308 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.161 16.685 9.449 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.478 16.890 11.217 1.00 0.00 S ATOM 0 H CYS A 93 -14.858 17.086 6.750 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.882 15.397 8.958 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.402 15.914 9.316 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.745 17.613 9.057 1.00 0.00 H new ATOM 0 HG CYS A 93 -14.115 15.814 11.851 1.00 0.00 H new ATOM 1426 N THR A 94 -17.613 17.049 9.256 1.00 0.00 N ATOM 1427 CA THR A 94 -18.765 17.940 9.236 1.00 0.00 C ATOM 1428 C THR A 94 -18.672 18.989 10.335 1.00 0.00 C ATOM 1429 O THR A 94 -18.632 18.656 11.520 1.00 0.00 O ATOM 1430 CB THR A 94 -20.084 17.162 9.395 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.226 16.231 8.314 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.270 18.116 9.397 1.00 0.00 C ATOM 0 H THR A 94 -17.781 16.153 9.713 1.00 0.00 H new ATOM 0 HA THR A 94 -18.760 18.435 8.265 1.00 0.00 H new ATOM 0 HB THR A 94 -20.060 16.627 10.344 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.065 15.735 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.193 17.548 9.510 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.171 18.817 10.225 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.296 18.667 8.457 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.631 20.255 9.937 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.529 21.356 10.888 1.00 0.00 C ATOM 1442 C GLY A 95 -19.909 21.850 11.306 1.00 0.00 C ATOM 1443 O GLY A 95 -20.250 23.013 11.096 1.00 0.00 O ATOM 0 H GLY A 95 -18.667 20.545 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.974 21.030 11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -17.966 22.175 10.441 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.697 20.960 11.900 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.062 21.287 12.295 1.00 0.00 C ATOM 1449 C ARG A 96 -22.113 22.593 13.077 1.00 0.00 C ATOM 1450 O ARG A 96 -21.568 22.687 14.175 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.724 20.152 13.062 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.168 20.408 13.462 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.828 19.262 14.139 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.234 19.471 14.443 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.990 18.634 15.179 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.493 17.513 15.656 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.255 18.955 15.390 1.00 0.00 N ATOM 0 H ARG A 96 -20.413 20.005 12.119 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.636 21.425 11.379 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.686 19.250 12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.142 19.953 13.962 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.201 21.274 14.123 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.739 20.666 12.570 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.733 18.379 13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.296 19.049 15.066 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.679 20.311 14.073 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.521 17.266 15.470 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -27.080 16.891 16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.634 19.817 14.999 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.852 18.340 15.944 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.769 23.595 12.504 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.974 24.866 13.190 1.00 0.00 C ATOM 1473 C LEU A 97 -24.459 25.192 13.311 1.00 0.00 C ATOM 1474 O LEU A 97 -25.102 25.578 12.335 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.240 25.993 12.451 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.470 27.401 13.014 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -22.032 27.458 14.472 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.702 28.414 12.180 1.00 0.00 C ATOM 0 H LEU A 97 -23.168 23.553 11.566 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.565 24.777 14.196 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.171 25.782 12.469 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.549 25.982 11.406 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.532 27.642 12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.199 28.462 14.863 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.611 26.741 15.054 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.972 27.213 14.543 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.866 29.414 12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.638 28.180 12.212 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.051 28.375 11.148 1.00 0.00 H new ATOM 1490 N MET A 98 -24.997 25.030 14.515 1.00 0.00 N ATOM 1491 CA MET A 98 -26.391 25.358 14.782 1.00 0.00 C ATOM 1492 C MET A 98 -26.527 26.759 15.366 1.00 0.00 C ATOM 1493 O MET A 98 -25.673 27.211 16.124 1.00 0.00 O ATOM 1494 CB MET A 98 -27.003 24.328 15.728 1.00 0.00 C ATOM 1495 CG MET A 98 -27.007 22.903 15.191 1.00 0.00 C ATOM 1496 SD MET A 98 -28.001 22.727 13.696 1.00 0.00 S ATOM 1497 CE MET A 98 -29.648 22.964 14.355 1.00 0.00 C ATOM 0 H MET A 98 -24.487 24.673 15.323 1.00 0.00 H new ATOM 0 HA MET A 98 -26.930 25.336 13.835 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.454 24.347 16.670 1.00 0.00 H new ATOM 0 HB3 MET A 98 -28.029 24.622 15.951 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.983 22.595 14.980 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.390 22.231 15.959 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.383 22.610 13.632 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.753 22.403 15.284 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.812 24.024 14.551 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.608 27.443 15.006 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.804 28.833 15.398 1.00 0.00 C ATOM 1509 C VAL A 99 -28.976 28.977 16.358 1.00 0.00 C ATOM 1510 O VAL A 99 -30.062 28.456 16.111 1.00 0.00 O ATOM 1511 CB VAL A 99 -28.042 29.736 14.173 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.321 31.166 14.613 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.845 29.691 13.236 1.00 0.00 C ATOM 0 H VAL A 99 -28.364 27.055 14.441 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.889 29.149 15.900 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.914 29.364 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.487 31.791 13.735 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.209 31.185 15.245 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.468 31.547 15.174 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -27.031 30.335 12.376 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.957 30.038 13.764 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.688 28.668 12.895 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.748 29.690 17.458 1.00 0.00 N ATOM 1524 CA GLN A 100 -29.814 30.001 18.401 1.00 0.00 C ATOM 1525 C GLN A 100 -30.500 31.311 18.043 1.00 0.00 C ATOM 1526 O GLN A 100 -29.927 32.389 18.199 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.261 30.080 19.827 1.00 0.00 C ATOM 1528 CG GLN A 100 -28.657 28.782 20.334 1.00 0.00 C ATOM 1529 CD GLN A 100 -29.696 27.692 20.515 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -30.749 27.913 21.121 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -29.406 26.506 19.995 1.00 0.00 N ATOM 0 H GLN A 100 -27.834 30.062 17.717 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.550 29.199 18.345 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.502 30.861 19.867 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -30.064 30.381 20.500 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -27.895 28.441 19.633 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -28.157 28.964 21.285 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -28.524 26.367 19.502 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -30.065 25.733 20.088 1.00 0.00 H new