USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 563 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 18 GLN : amide:sc= 0 X(o=1.1,f=1.3!) USER MOD Set 1.2: B 164 CYS SG : rot -47:sc= 1.11 USER MOD Set 2.1: A 48 GLN : amide:sc= -0.0641 X(o=-0.29,f=-0.37) USER MOD Set 2.2: A 52 GLN : amide:sc= -0.226 X(o=-0.29,f=-0.37) USER MOD Set 3.1: A 25 GLN : amide:sc= 0.339 K(o=0.45,f=-0.14) USER MOD Set 3.2: A 26 GLN : amide:sc= 0.111 K(o=0.45,f=-0.14) USER MOD Set 4.1: A 14 GLN : amide:sc= 0.136 K(o=-0.32,f=-3.6) USER MOD Set 4.2: A 45 HIS : no HD1:sc= -0.452 K(o=-0.32,f=-3.2!) USER MOD Set 5.1: A 4 LYS NZ :NH3+ -136:sc= 0.26 (180deg=-0.0117) USER MOD Set 5.2: A 8 MET CE :methyl 180:sc=-0.000609 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.8) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 151:sc= 1.61 USER MOD Single : A 20 GLN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.134 K(o=-0.13,f=-2!) USER MOD Single : A 22 TYR OH : rot 0:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.176 F(o=-2.3!,f=-0.18) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.39) USER MOD Single : A 34 GLN : amide:sc= 0.809 K(o=0.81,f=-0.71) USER MOD Single : A 35 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.25) USER MOD Single : A 40 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 44 GLN : amide:sc= -0.0827 X(o=-0.083,f=0) USER MOD Single : A 46 TYR OH : rot -78:sc= 0.843 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.156 USER MOD Single : A 50 MET CE :methyl -158:sc=-0.00577 (180deg=-0.021) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 162 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0132) USER MOD Single : B 165 GLN : amide:sc=-0.00373 K(o=-0.0037,f=-1.6!) USER MOD Single : B 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 172 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 6.838 2.523 7.276 1.00 25.00 N ATOM 54 CA LYS A 4 7.013 3.550 8.304 1.00 25.00 C ATOM 55 C LYS A 4 8.071 4.571 7.890 1.00 25.00 C ATOM 56 O LYS A 4 7.956 5.737 8.234 1.00 25.00 O ATOM 57 CB LYS A 4 7.417 2.885 9.630 1.00 25.00 C ATOM 58 CG LYS A 4 7.884 3.856 10.723 1.00 25.00 C ATOM 59 CD LYS A 4 8.063 3.160 12.075 1.00 25.00 C ATOM 60 CE LYS A 4 8.477 4.172 13.152 1.00 25.00 C ATOM 61 NZ LYS A 4 9.893 4.618 12.966 1.00 25.00 N ATOM 0 HA LYS A 4 6.067 4.077 8.430 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.568 2.316 10.008 1.00 25.00 H new ATOM 0 HB3 LYS A 4 8.216 2.171 9.433 1.00 25.00 H new ATOM 0 HG2 LYS A 4 8.828 4.312 10.423 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.158 4.663 10.825 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.132 2.672 12.365 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.819 2.380 11.991 1.00 25.00 H new ATOM 0 HE2 LYS A 4 7.814 5.036 13.115 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.362 3.723 14.139 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.377 4.628 13.886 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.382 3.962 12.324 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.905 5.575 12.558 1.00 25.00 H new ATOM 75 N GLN A 5 9.093 4.157 7.168 1.00 25.00 N ATOM 76 CA GLN A 5 10.158 5.070 6.781 1.00 25.00 C ATOM 77 C GLN A 5 9.666 6.249 5.932 1.00 25.00 C ATOM 78 O GLN A 5 10.110 7.376 6.154 1.00 25.00 O ATOM 79 CB GLN A 5 11.283 4.298 6.074 1.00 25.00 C ATOM 80 CG GLN A 5 11.941 3.256 7.001 1.00 25.00 C ATOM 81 CD GLN A 5 13.072 2.499 6.341 1.00 25.00 C ATOM 82 OE1 GLN A 5 12.916 1.375 5.916 1.00 25.00 O ATOM 83 NE2 GLN A 5 14.226 3.107 6.294 1.00 25.00 N ATOM 0 H GLN A 5 9.212 3.199 6.837 1.00 25.00 H new ATOM 0 HA GLN A 5 10.551 5.512 7.697 1.00 25.00 H new ATOM 0 HB2 GLN A 5 10.881 3.797 5.194 1.00 25.00 H new ATOM 0 HB3 GLN A 5 12.039 5.000 5.723 1.00 25.00 H new ATOM 0 HG2 GLN A 5 12.320 3.759 7.891 1.00 25.00 H new ATOM 0 HG3 GLN A 5 11.184 2.546 7.334 1.00 25.00 H new ATOM 0 HE21 GLN A 5 14.319 4.054 6.662 1.00 25.00 H new ATOM 0 HE22 GLN A 5 15.035 2.635 5.889 1.00 25.00 H new ATOM 92 N GLN A 6 8.712 6.031 5.024 1.00 25.00 N ATOM 93 CA GLN A 6 8.173 7.147 4.234 1.00 25.00 C ATOM 94 C GLN A 6 7.329 8.066 5.128 1.00 25.00 C ATOM 95 O GLN A 6 7.280 9.277 4.944 1.00 25.00 O ATOM 96 CB GLN A 6 7.347 6.660 3.023 1.00 25.00 C ATOM 97 CG GLN A 6 5.850 6.397 3.296 1.00 25.00 C ATOM 98 CD GLN A 6 5.153 5.642 2.181 1.00 25.00 C ATOM 99 OE1 GLN A 6 4.361 4.757 2.444 1.00 25.00 O ATOM 100 NE2 GLN A 6 5.447 5.977 0.946 1.00 25.00 N ATOM 0 H GLN A 6 8.304 5.119 4.819 1.00 25.00 H new ATOM 0 HA GLN A 6 9.019 7.708 3.838 1.00 25.00 H new ATOM 0 HB2 GLN A 6 7.428 7.403 2.229 1.00 25.00 H new ATOM 0 HB3 GLN A 6 7.796 5.741 2.646 1.00 25.00 H new ATOM 0 HG2 GLN A 6 5.752 5.832 4.223 1.00 25.00 H new ATOM 0 HG3 GLN A 6 5.344 7.350 3.449 1.00 25.00 H new ATOM 0 HE21 GLN A 6 6.117 6.725 0.766 1.00 25.00 H new ATOM 0 HE22 GLN A 6 5.006 5.489 0.166 1.00 25.00 H new ATOM 109 N ILE A 7 6.700 7.476 6.134 1.00 25.00 N ATOM 110 CA ILE A 7 5.867 8.237 7.047 1.00 25.00 C ATOM 111 C ILE A 7 6.771 9.144 7.854 1.00 25.00 C ATOM 112 O ILE A 7 6.501 10.321 7.978 1.00 25.00 O ATOM 113 CB ILE A 7 5.054 7.326 8.020 1.00 25.00 C ATOM 114 CG1 ILE A 7 4.297 6.227 7.251 1.00 25.00 C ATOM 115 CG2 ILE A 7 4.083 8.164 8.869 1.00 25.00 C ATOM 116 CD1 ILE A 7 3.251 6.713 6.228 1.00 25.00 C ATOM 0 H ILE A 7 6.751 6.478 6.336 1.00 25.00 H new ATOM 0 HA ILE A 7 5.143 8.803 6.460 1.00 25.00 H new ATOM 0 HB ILE A 7 5.762 6.838 8.691 1.00 25.00 H new ATOM 0 HG12 ILE A 7 5.027 5.609 6.728 1.00 25.00 H new ATOM 0 HG13 ILE A 7 3.796 5.585 7.975 1.00 25.00 H new ATOM 0 HG21 ILE A 7 3.527 7.509 9.539 1.00 25.00 H new ATOM 0 HG22 ILE A 7 4.646 8.890 9.456 1.00 25.00 H new ATOM 0 HG23 ILE A 7 3.387 8.688 8.214 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.783 5.853 5.749 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.490 7.303 6.738 1.00 25.00 H new ATOM 0 HD13 ILE A 7 3.740 7.328 5.472 1.00 25.00 H new ATOM 128 N MET A 8 7.867 8.612 8.377 1.00 25.00 N ATOM 129 CA MET A 8 8.775 9.426 9.191 1.00 25.00 C ATOM 130 C MET A 8 9.275 10.601 8.369 1.00 25.00 C ATOM 131 O MET A 8 9.329 11.713 8.869 1.00 25.00 O ATOM 132 CB MET A 8 9.993 8.639 9.707 1.00 25.00 C ATOM 133 CG MET A 8 9.698 7.372 10.513 1.00 25.00 C ATOM 134 SD MET A 8 8.522 7.580 11.852 1.00 25.00 S ATOM 135 CE MET A 8 9.534 8.219 13.191 1.00 25.00 C ATOM 0 H MET A 8 8.150 7.639 8.259 1.00 25.00 H new ATOM 0 HA MET A 8 8.204 9.759 10.058 1.00 25.00 H new ATOM 0 HB2 MET A 8 10.608 8.363 8.851 1.00 25.00 H new ATOM 0 HB3 MET A 8 10.592 9.306 10.327 1.00 25.00 H new ATOM 0 HG2 MET A 8 9.321 6.607 9.834 1.00 25.00 H new ATOM 0 HG3 MET A 8 10.634 6.997 10.927 1.00 25.00 H new ATOM 0 HE1 MET A 8 8.912 8.385 14.070 1.00 25.00 H new ATOM 0 HE2 MET A 8 10.317 7.499 13.431 1.00 25.00 H new ATOM 0 HE3 MET A 8 9.989 9.161 12.885 1.00 25.00 H new ATOM 145 N ALA A 9 9.615 10.373 7.109 1.00 25.00 N ATOM 146 CA ALA A 9 10.119 11.456 6.268 1.00 25.00 C ATOM 147 C ALA A 9 9.064 12.558 6.106 1.00 25.00 C ATOM 148 O ALA A 9 9.386 13.744 6.124 1.00 25.00 O ATOM 149 CB ALA A 9 10.538 10.905 4.896 1.00 25.00 C ATOM 0 H ALA A 9 9.554 9.465 6.649 1.00 25.00 H new ATOM 0 HA ALA A 9 10.991 11.894 6.753 1.00 25.00 H new ATOM 0 HB1 ALA A 9 10.912 11.719 4.276 1.00 25.00 H new ATOM 0 HB2 ALA A 9 11.322 10.159 5.027 1.00 25.00 H new ATOM 0 HB3 ALA A 9 9.677 10.445 4.410 1.00 25.00 H new ATOM 155 N ALA A 10 7.806 12.168 5.943 1.00 25.00 N ATOM 156 CA ALA A 10 6.745 13.136 5.735 1.00 25.00 C ATOM 157 C ALA A 10 6.434 13.887 7.022 1.00 25.00 C ATOM 158 O ALA A 10 6.260 15.108 7.014 1.00 25.00 O ATOM 159 CB ALA A 10 5.513 12.422 5.217 1.00 25.00 C ATOM 0 H ALA A 10 7.500 11.195 5.951 1.00 25.00 H new ATOM 0 HA ALA A 10 7.071 13.870 4.998 1.00 25.00 H new ATOM 0 HB1 ALA A 10 4.713 13.145 5.059 1.00 25.00 H new ATOM 0 HB2 ALA A 10 5.748 11.929 4.274 1.00 25.00 H new ATOM 0 HB3 ALA A 10 5.191 11.678 5.945 1.00 25.00 H new ATOM 165 N LEU A 11 6.393 13.164 8.130 1.00 25.00 N ATOM 166 CA LEU A 11 6.130 13.768 9.429 1.00 25.00 C ATOM 167 C LEU A 11 7.231 14.721 9.809 1.00 25.00 C ATOM 168 O LEU A 11 6.979 15.806 10.310 1.00 25.00 O ATOM 169 CB LEU A 11 6.023 12.684 10.519 1.00 25.00 C ATOM 170 CG LEU A 11 4.846 11.694 10.431 1.00 25.00 C ATOM 171 CD1 LEU A 11 4.760 10.905 11.698 1.00 25.00 C ATOM 172 CD2 LEU A 11 3.558 12.413 10.167 1.00 25.00 C ATOM 0 H LEU A 11 6.539 12.155 8.157 1.00 25.00 H new ATOM 0 HA LEU A 11 5.188 14.310 9.353 1.00 25.00 H new ATOM 0 HB2 LEU A 11 6.948 12.107 10.510 1.00 25.00 H new ATOM 0 HB3 LEU A 11 5.969 13.185 11.486 1.00 25.00 H new ATOM 0 HG LEU A 11 5.021 11.014 9.598 1.00 25.00 H new ATOM 0 HD11 LEU A 11 3.927 10.205 11.635 1.00 25.00 H new ATOM 0 HD12 LEU A 11 5.688 10.353 11.846 1.00 25.00 H new ATOM 0 HD13 LEU A 11 4.602 11.582 12.538 1.00 25.00 H new ATOM 0 HD21 LEU A 11 2.743 11.691 10.109 1.00 25.00 H new ATOM 0 HD22 LEU A 11 3.362 13.117 10.975 1.00 25.00 H new ATOM 0 HD23 LEU A 11 3.630 12.954 9.224 1.00 25.00 H new ATOM 184 N ASN A 12 8.468 14.316 9.558 1.00 25.00 N ATOM 185 CA ASN A 12 9.626 15.137 9.901 1.00 25.00 C ATOM 186 C ASN A 12 9.610 16.388 9.049 1.00 25.00 C ATOM 187 O ASN A 12 10.022 17.437 9.503 1.00 25.00 O ATOM 188 CB ASN A 12 10.927 14.378 9.646 1.00 25.00 C ATOM 189 CG ASN A 12 11.133 13.213 10.593 1.00 25.00 C ATOM 190 OD1 ASN A 12 10.369 12.992 11.510 1.00 25.00 O ATOM 191 ND2 ASN A 12 12.192 12.481 10.382 1.00 25.00 N ATOM 0 H ASN A 12 8.698 13.425 9.118 1.00 25.00 H new ATOM 0 HA ASN A 12 9.573 15.392 10.959 1.00 25.00 H new ATOM 0 HB2 ASN A 12 10.930 14.009 8.620 1.00 25.00 H new ATOM 0 HB3 ASN A 12 11.766 15.067 9.740 1.00 25.00 H new ATOM 0 HD21 ASN A 12 12.399 11.694 10.997 1.00 25.00 H new ATOM 0 HD22 ASN A 12 12.813 12.695 9.602 1.00 25.00 H new ATOM 198 N SER A 13 9.150 16.278 7.812 1.00 25.00 N ATOM 199 CA SER A 13 9.125 17.422 6.906 1.00 25.00 C ATOM 200 C SER A 13 8.155 18.515 7.372 1.00 25.00 C ATOM 201 O SER A 13 8.525 19.685 7.455 1.00 25.00 O ATOM 202 CB SER A 13 8.725 16.970 5.504 1.00 25.00 C ATOM 203 OG SER A 13 8.775 18.055 4.604 1.00 25.00 O ATOM 0 H SER A 13 8.789 15.412 7.411 1.00 25.00 H new ATOM 0 HA SER A 13 10.130 17.843 6.899 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.393 16.178 5.166 1.00 25.00 H new ATOM 0 HB3 SER A 13 7.719 16.551 5.523 1.00 25.00 H new ATOM 0 HG SER A 13 8.518 17.750 3.709 1.00 25.00 H new ATOM 209 N GLN A 14 6.923 18.147 7.700 1.00 25.00 N ATOM 210 CA GLN A 14 5.921 19.151 8.069 1.00 25.00 C ATOM 211 C GLN A 14 6.188 19.793 9.433 1.00 25.00 C ATOM 212 O GLN A 14 5.683 20.876 9.711 1.00 25.00 O ATOM 213 CB GLN A 14 4.494 18.575 8.014 1.00 25.00 C ATOM 214 CG GLN A 14 4.275 17.293 8.824 1.00 25.00 C ATOM 215 CD GLN A 14 2.925 17.254 9.504 1.00 25.00 C ATOM 216 OE1 GLN A 14 2.821 16.911 10.675 1.00 25.00 O ATOM 217 NE2 GLN A 14 1.894 17.604 8.774 1.00 25.00 N ATOM 0 H GLN A 14 6.593 17.182 7.720 1.00 25.00 H new ATOM 0 HA GLN A 14 6.006 19.942 7.323 1.00 25.00 H new ATOM 0 HB2 GLN A 14 3.799 19.335 8.372 1.00 25.00 H new ATOM 0 HB3 GLN A 14 4.240 18.376 6.973 1.00 25.00 H new ATOM 0 HG2 GLN A 14 4.369 16.431 8.164 1.00 25.00 H new ATOM 0 HG3 GLN A 14 5.059 17.206 9.577 1.00 25.00 H new ATOM 0 HE21 GLN A 14 2.028 17.883 7.802 1.00 25.00 H new ATOM 0 HE22 GLN A 14 0.957 17.598 9.178 1.00 25.00 H new ATOM 226 N THR A 15 6.973 19.145 10.279 1.00 25.00 N ATOM 227 CA THR A 15 7.262 19.675 11.612 1.00 25.00 C ATOM 228 C THR A 15 8.729 20.023 11.740 1.00 25.00 C ATOM 229 O THR A 15 9.226 20.203 12.840 1.00 25.00 O ATOM 230 CB THR A 15 6.884 18.672 12.719 1.00 25.00 C ATOM 231 OG1 THR A 15 7.628 17.466 12.558 1.00 25.00 O ATOM 232 CG2 THR A 15 5.427 18.321 12.635 1.00 25.00 C ATOM 0 H THR A 15 7.423 18.253 10.072 1.00 25.00 H new ATOM 0 HA THR A 15 6.658 20.574 11.736 1.00 25.00 H new ATOM 0 HB THR A 15 7.105 19.136 13.680 1.00 25.00 H new ATOM 0 HG1 THR A 15 7.762 17.045 13.433 1.00 25.00 H new ATOM 0 HG21 THR A 15 5.178 17.612 13.424 1.00 25.00 H new ATOM 0 HG22 THR A 15 4.828 19.224 12.756 1.00 25.00 H new ATOM 0 HG23 THR A 15 5.216 17.873 11.664 1.00 25.00 H new ATOM 240 N ALA A 16 9.430 20.105 10.620 1.00 25.00 N ATOM 241 CA ALA A 16 10.867 20.363 10.631 1.00 25.00 C ATOM 242 C ALA A 16 11.189 21.642 11.410 1.00 25.00 C ATOM 243 O ALA A 16 11.977 21.633 12.350 1.00 25.00 O ATOM 244 CB ALA A 16 11.394 20.460 9.178 1.00 25.00 C ATOM 0 H ALA A 16 9.029 19.997 9.688 1.00 25.00 H new ATOM 0 HA ALA A 16 11.366 19.534 11.134 1.00 25.00 H new ATOM 0 HB1 ALA A 16 12.467 20.653 9.192 1.00 25.00 H new ATOM 0 HB2 ALA A 16 11.201 19.522 8.657 1.00 25.00 H new ATOM 0 HB3 ALA A 16 10.886 21.274 8.660 1.00 25.00 H new ATOM 250 N VAL A 17 10.576 22.742 11.011 1.00 25.00 N ATOM 251 CA VAL A 17 10.829 24.015 11.673 1.00 25.00 C ATOM 252 C VAL A 17 10.205 23.994 13.066 1.00 25.00 C ATOM 253 O VAL A 17 10.783 24.521 13.995 1.00 25.00 O ATOM 254 CB VAL A 17 10.299 25.208 10.799 1.00 25.00 C ATOM 255 CG1 VAL A 17 8.768 25.144 10.599 1.00 25.00 C ATOM 256 CG2 VAL A 17 10.687 26.565 11.403 1.00 25.00 C ATOM 0 H VAL A 17 9.907 22.784 10.242 1.00 25.00 H new ATOM 0 HA VAL A 17 11.903 24.165 11.788 1.00 25.00 H new ATOM 0 HB VAL A 17 10.775 25.109 9.824 1.00 25.00 H new ATOM 0 HG11 VAL A 17 8.445 25.988 9.989 1.00 25.00 H new ATOM 0 HG12 VAL A 17 8.505 24.212 10.098 1.00 25.00 H new ATOM 0 HG13 VAL A 17 8.272 25.187 11.569 1.00 25.00 H new ATOM 0 HG21 VAL A 17 10.304 27.367 10.772 1.00 25.00 H new ATOM 0 HG22 VAL A 17 10.260 26.654 12.402 1.00 25.00 H new ATOM 0 HG23 VAL A 17 11.773 26.639 11.464 1.00 25.00 H new ATOM 266 N GLN A 18 9.076 23.327 13.244 1.00 25.00 N ATOM 267 CA GLN A 18 8.405 23.316 14.539 1.00 25.00 C ATOM 268 C GLN A 18 9.276 22.651 15.606 1.00 25.00 C ATOM 269 O GLN A 18 9.435 23.172 16.705 1.00 25.00 O ATOM 270 CB GLN A 18 7.074 22.569 14.445 1.00 25.00 C ATOM 271 CG GLN A 18 6.175 23.039 13.305 1.00 25.00 C ATOM 272 CD GLN A 18 4.784 22.466 13.432 1.00 25.00 C ATOM 273 OE1 GLN A 18 4.554 21.571 14.217 1.00 25.00 O ATOM 274 NE2 GLN A 18 3.864 22.977 12.670 1.00 25.00 N ATOM 0 H GLN A 18 8.606 22.789 12.516 1.00 25.00 H new ATOM 0 HA GLN A 18 8.225 24.353 14.824 1.00 25.00 H new ATOM 0 HB2 GLN A 18 7.275 21.505 14.320 1.00 25.00 H new ATOM 0 HB3 GLN A 18 6.538 22.684 15.387 1.00 25.00 H new ATOM 0 HG2 GLN A 18 6.124 24.128 13.305 1.00 25.00 H new ATOM 0 HG3 GLN A 18 6.608 22.740 12.350 1.00 25.00 H new ATOM 0 HE21 GLN A 18 4.098 23.729 12.022 1.00 25.00 H new ATOM 0 HE22 GLN A 18 2.908 22.626 12.720 1.00 25.00 H new ATOM 283 N PHE A 19 9.850 21.506 15.273 1.00 25.00 N ATOM 284 CA PHE A 19 10.671 20.776 16.227 1.00 25.00 C ATOM 285 C PHE A 19 11.979 21.516 16.454 1.00 25.00 C ATOM 286 O PHE A 19 12.485 21.555 17.559 1.00 25.00 O ATOM 287 CB PHE A 19 10.965 19.359 15.727 1.00 25.00 C ATOM 288 CG PHE A 19 9.763 18.428 15.718 1.00 25.00 C ATOM 289 CD1 PHE A 19 8.524 18.768 16.328 1.00 25.00 C ATOM 290 CD2 PHE A 19 9.884 17.172 15.104 1.00 25.00 C ATOM 291 CE1 PHE A 19 7.437 17.852 16.329 1.00 25.00 C ATOM 292 CE2 PHE A 19 8.806 16.242 15.113 1.00 25.00 C ATOM 293 CZ PHE A 19 7.589 16.579 15.730 1.00 25.00 C ATOM 0 H PHE A 19 9.764 21.065 14.358 1.00 25.00 H new ATOM 0 HA PHE A 19 10.121 20.705 17.165 1.00 25.00 H new ATOM 0 HB2 PHE A 19 11.367 19.421 14.716 1.00 25.00 H new ATOM 0 HB3 PHE A 19 11.742 18.921 16.353 1.00 25.00 H new ATOM 0 HD1 PHE A 19 8.408 19.734 16.796 1.00 25.00 H new ATOM 0 HD2 PHE A 19 10.810 16.906 14.616 1.00 25.00 H new ATOM 0 HE1 PHE A 19 6.498 18.127 16.786 1.00 25.00 H new ATOM 0 HE2 PHE A 19 8.924 15.276 14.645 1.00 25.00 H new ATOM 0 HZ PHE A 19 6.774 15.870 15.747 1.00 25.00 H new ATOM 303 N GLN A 20 12.495 22.133 15.404 1.00 25.00 N ATOM 304 CA GLN A 20 13.717 22.929 15.506 1.00 25.00 C ATOM 305 C GLN A 20 13.521 24.141 16.415 1.00 25.00 C ATOM 306 O GLN A 20 14.332 24.394 17.291 1.00 25.00 O ATOM 307 CB GLN A 20 14.153 23.380 14.115 1.00 25.00 C ATOM 308 CG GLN A 20 14.978 22.326 13.369 1.00 25.00 C ATOM 309 CD GLN A 20 15.374 22.796 11.989 1.00 25.00 C ATOM 310 OE1 GLN A 20 16.527 23.088 11.729 1.00 25.00 O ATOM 311 NE2 GLN A 20 14.422 22.864 11.101 1.00 25.00 N ATOM 0 H GLN A 20 12.090 22.101 14.468 1.00 25.00 H new ATOM 0 HA GLN A 20 14.494 22.305 15.948 1.00 25.00 H new ATOM 0 HB2 GLN A 20 13.269 23.624 13.526 1.00 25.00 H new ATOM 0 HB3 GLN A 20 14.739 24.295 14.204 1.00 25.00 H new ATOM 0 HG2 GLN A 20 15.874 22.092 13.944 1.00 25.00 H new ATOM 0 HG3 GLN A 20 14.402 21.404 13.288 1.00 25.00 H new ATOM 0 HE21 GLN A 20 13.467 22.611 11.356 1.00 25.00 H new ATOM 0 HE22 GLN A 20 14.632 23.170 10.151 1.00 25.00 H new ATOM 320 N GLN A 21 12.423 24.852 16.237 1.00 25.00 N ATOM 321 CA GLN A 21 12.146 26.026 17.051 1.00 25.00 C ATOM 322 C GLN A 21 11.948 25.618 18.510 1.00 25.00 C ATOM 323 O GLN A 21 12.479 26.262 19.406 1.00 25.00 O ATOM 324 CB GLN A 21 10.883 26.742 16.541 1.00 25.00 C ATOM 325 CG GLN A 21 11.048 27.433 15.173 1.00 25.00 C ATOM 326 CD GLN A 21 11.842 28.725 15.244 1.00 25.00 C ATOM 327 OE1 GLN A 21 13.001 28.739 15.605 1.00 25.00 O ATOM 328 NE2 GLN A 21 11.220 29.803 14.863 1.00 25.00 N ATOM 0 H GLN A 21 11.710 24.640 15.539 1.00 25.00 H new ATOM 0 HA GLN A 21 12.995 26.706 16.979 1.00 25.00 H new ATOM 0 HB2 GLN A 21 10.072 26.017 16.472 1.00 25.00 H new ATOM 0 HB3 GLN A 21 10.582 27.488 17.277 1.00 25.00 H new ATOM 0 HG2 GLN A 21 11.543 26.748 14.485 1.00 25.00 H new ATOM 0 HG3 GLN A 21 10.062 27.643 14.759 1.00 25.00 H new ATOM 0 HE21 GLN A 21 10.245 29.752 14.566 1.00 25.00 H new ATOM 0 HE22 GLN A 21 11.707 30.699 14.861 1.00 25.00 H new ATOM 337 N TYR A 22 11.213 24.535 18.767 1.00 25.00 N ATOM 338 CA TYR A 22 11.010 24.094 20.145 1.00 25.00 C ATOM 339 C TYR A 22 12.319 23.623 20.775 1.00 25.00 C ATOM 340 O TYR A 22 12.602 23.882 21.938 1.00 25.00 O ATOM 341 CB TYR A 22 9.974 22.974 20.210 1.00 25.00 C ATOM 342 CG TYR A 22 9.692 22.544 21.638 1.00 25.00 C ATOM 343 CD1 TYR A 22 9.330 23.502 22.617 1.00 25.00 C ATOM 344 CD2 TYR A 22 9.815 21.205 22.033 1.00 25.00 C ATOM 345 CE1 TYR A 22 9.087 23.112 23.961 1.00 25.00 C ATOM 346 CE2 TYR A 22 9.548 20.812 23.383 1.00 25.00 C ATOM 347 CZ TYR A 22 9.185 21.773 24.327 1.00 25.00 C ATOM 348 OH TYR A 22 8.947 21.379 25.618 1.00 25.00 O ATOM 0 H TYR A 22 10.759 23.960 18.057 1.00 25.00 H new ATOM 0 HA TYR A 22 10.642 24.951 20.710 1.00 25.00 H new ATOM 0 HB2 TYR A 22 9.048 23.309 19.742 1.00 25.00 H new ATOM 0 HB3 TYR A 22 10.329 22.118 19.637 1.00 25.00 H new ATOM 0 HD1 TYR A 22 9.238 24.541 22.338 1.00 25.00 H new ATOM 0 HD2 TYR A 22 10.115 20.461 21.310 1.00 25.00 H new ATOM 0 HE1 TYR A 22 8.826 23.855 24.700 1.00 25.00 H new ATOM 0 HE2 TYR A 22 9.627 19.774 23.670 1.00 25.00 H new ATOM 0 HH TYR A 22 8.714 22.161 26.161 1.00 25.00 H new ATOM 358 N ALA A 23 13.145 22.944 19.993 1.00 25.00 N ATOM 359 CA ALA A 23 14.434 22.500 20.486 1.00 25.00 C ATOM 360 C ALA A 23 15.336 23.703 20.788 1.00 25.00 C ATOM 361 O ALA A 23 16.103 23.669 21.737 1.00 25.00 O ATOM 362 CB ALA A 23 15.075 21.575 19.474 1.00 25.00 C ATOM 0 H ALA A 23 12.946 22.692 19.025 1.00 25.00 H new ATOM 0 HA ALA A 23 14.294 21.950 21.417 1.00 25.00 H new ATOM 0 HB1 ALA A 23 16.044 21.243 19.847 1.00 25.00 H new ATOM 0 HB2 ALA A 23 14.432 20.710 19.313 1.00 25.00 H new ATOM 0 HB3 ALA A 23 15.212 22.105 18.532 1.00 25.00 H new ATOM 368 N ALA A 24 15.208 24.762 20.011 1.00 25.00 N ATOM 369 CA ALA A 24 15.985 25.975 20.224 1.00 25.00 C ATOM 370 C ALA A 24 15.467 26.680 21.484 1.00 25.00 C ATOM 371 O ALA A 24 16.210 27.305 22.209 1.00 25.00 O ATOM 372 CB ALA A 24 15.867 26.901 19.010 1.00 25.00 C ATOM 0 H ALA A 24 14.568 24.809 19.218 1.00 25.00 H new ATOM 0 HA ALA A 24 17.036 25.719 20.354 1.00 25.00 H new ATOM 0 HB1 ALA A 24 16.453 27.804 19.183 1.00 25.00 H new ATOM 0 HB2 ALA A 24 16.242 26.389 18.124 1.00 25.00 H new ATOM 0 HB3 ALA A 24 14.822 27.170 18.858 1.00 25.00 H new ATOM 378 N GLN A 25 14.174 26.559 21.734 1.00 25.00 N ATOM 379 CA GLN A 25 13.549 27.169 22.894 1.00 25.00 C ATOM 380 C GLN A 25 14.016 26.499 24.188 1.00 25.00 C ATOM 381 O GLN A 25 14.165 27.139 25.232 1.00 25.00 O ATOM 382 CB GLN A 25 12.026 27.037 22.757 1.00 25.00 C ATOM 383 CG GLN A 25 11.248 27.926 23.651 1.00 25.00 C ATOM 384 CD GLN A 25 9.788 27.535 23.697 1.00 25.00 C ATOM 385 OE1 GLN A 25 8.971 28.014 22.931 1.00 25.00 O ATOM 386 NE2 GLN A 25 9.472 26.641 24.586 1.00 25.00 N ATOM 0 H GLN A 25 13.530 26.037 21.140 1.00 25.00 H new ATOM 0 HA GLN A 25 13.835 28.220 22.941 1.00 25.00 H new ATOM 0 HB2 GLN A 25 11.747 27.248 21.724 1.00 25.00 H new ATOM 0 HB3 GLN A 25 11.744 26.004 22.959 1.00 25.00 H new ATOM 0 HG2 GLN A 25 11.667 27.887 24.657 1.00 25.00 H new ATOM 0 HG3 GLN A 25 11.338 28.957 23.307 1.00 25.00 H new ATOM 0 HE21 GLN A 25 10.188 26.266 25.208 1.00 25.00 H new ATOM 0 HE22 GLN A 25 8.508 26.315 24.661 1.00 25.00 H new ATOM 395 N GLN A 26 14.197 25.185 24.116 1.00 25.00 N ATOM 396 CA GLN A 26 14.580 24.417 25.291 1.00 25.00 C ATOM 397 C GLN A 26 16.092 24.306 25.469 1.00 25.00 C ATOM 398 O GLN A 26 16.571 24.229 26.599 1.00 25.00 O ATOM 399 CB GLN A 26 13.995 23.004 25.200 1.00 25.00 C ATOM 400 CG GLN A 26 12.466 22.965 25.250 1.00 25.00 C ATOM 401 CD GLN A 26 11.878 23.775 26.399 1.00 25.00 C ATOM 402 OE1 GLN A 26 11.069 24.657 26.186 1.00 25.00 O ATOM 403 NE2 GLN A 26 12.284 23.473 27.615 1.00 25.00 N ATOM 0 H GLN A 26 14.086 24.635 23.264 1.00 25.00 H new ATOM 0 HA GLN A 26 14.183 24.954 26.153 1.00 25.00 H new ATOM 0 HB2 GLN A 26 14.331 22.541 24.272 1.00 25.00 H new ATOM 0 HB3 GLN A 26 14.392 22.403 26.018 1.00 25.00 H new ATOM 0 HG2 GLN A 26 12.069 23.343 24.308 1.00 25.00 H new ATOM 0 HG3 GLN A 26 12.139 21.929 25.341 1.00 25.00 H new ATOM 0 HE21 GLN A 26 12.964 22.726 27.755 1.00 25.00 H new ATOM 0 HE22 GLN A 26 11.918 23.986 28.417 1.00 25.00 H new ATOM 412 N TYR A 27 16.822 24.254 24.366 1.00 25.00 N ATOM 413 CA TYR A 27 18.278 24.121 24.400 1.00 25.00 C ATOM 414 C TYR A 27 18.932 25.099 23.429 1.00 25.00 C ATOM 415 O TYR A 27 19.514 24.684 22.416 1.00 25.00 O ATOM 416 CB TYR A 27 18.666 22.694 24.023 1.00 25.00 C ATOM 417 CG TYR A 27 17.974 21.678 24.877 1.00 25.00 C ATOM 418 CD1 TYR A 27 18.363 21.478 26.222 1.00 25.00 C ATOM 419 CD2 TYR A 27 16.910 20.914 24.361 1.00 25.00 C ATOM 420 CE1 TYR A 27 17.697 20.527 27.030 1.00 25.00 C ATOM 421 CE2 TYR A 27 16.237 19.972 25.181 1.00 25.00 C ATOM 422 CZ TYR A 27 16.641 19.781 26.502 1.00 25.00 C ATOM 423 OH TYR A 27 15.991 18.872 27.299 1.00 25.00 O ATOM 0 H TYR A 27 16.430 24.302 23.426 1.00 25.00 H new ATOM 0 HA TYR A 27 18.626 24.347 25.408 1.00 25.00 H new ATOM 0 HB2 TYR A 27 18.419 22.516 22.976 1.00 25.00 H new ATOM 0 HB3 TYR A 27 19.745 22.574 24.120 1.00 25.00 H new ATOM 0 HD1 TYR A 27 19.176 22.056 26.636 1.00 25.00 H new ATOM 0 HD2 TYR A 27 16.604 21.046 23.334 1.00 25.00 H new ATOM 0 HE1 TYR A 27 18.005 20.378 28.054 1.00 25.00 H new ATOM 0 HE2 TYR A 27 15.411 19.402 24.782 1.00 25.00 H new ATOM 0 HH TYR A 27 15.280 18.435 26.785 1.00 25.00 H new ATOM 433 N PRO A 28 18.801 26.411 23.694 1.00 25.00 N ATOM 434 CA PRO A 28 19.357 27.330 22.696 1.00 25.00 C ATOM 435 C PRO A 28 20.861 27.185 22.542 1.00 25.00 C ATOM 436 O PRO A 28 21.598 26.950 23.499 1.00 25.00 O ATOM 437 CB PRO A 28 18.962 28.709 23.236 1.00 25.00 C ATOM 438 CG PRO A 28 18.766 28.501 24.702 1.00 25.00 C ATOM 439 CD PRO A 28 18.148 27.146 24.797 1.00 25.00 C ATOM 0 HA PRO A 28 18.976 27.139 21.693 1.00 25.00 H new ATOM 0 HB2 PRO A 28 19.739 29.448 23.041 1.00 25.00 H new ATOM 0 HB3 PRO A 28 18.050 29.073 22.762 1.00 25.00 H new ATOM 0 HG2 PRO A 28 19.712 28.546 25.241 1.00 25.00 H new ATOM 0 HG3 PRO A 28 18.118 29.266 25.130 1.00 25.00 H new ATOM 0 HD2 PRO A 28 18.341 26.680 25.763 1.00 25.00 H new ATOM 0 HD3 PRO A 28 17.066 27.185 24.672 1.00 25.00 H new ATOM 447 N GLY A 29 21.314 27.272 21.299 1.00 25.00 N ATOM 448 CA GLY A 29 22.729 27.136 20.989 1.00 25.00 C ATOM 449 C GLY A 29 23.289 25.729 21.012 1.00 25.00 C ATOM 450 O GLY A 29 24.325 25.476 20.398 1.00 25.00 O ATOM 0 H GLY A 29 20.719 27.437 20.487 1.00 25.00 H new ATOM 0 HA2 GLY A 29 22.904 27.558 19.999 1.00 25.00 H new ATOM 0 HA3 GLY A 29 23.294 27.741 21.698 1.00 25.00 H new ATOM 454 N ASN A 30 22.659 24.790 21.705 1.00 25.00 N ATOM 455 CA ASN A 30 23.239 23.464 21.865 1.00 25.00 C ATOM 456 C ASN A 30 22.692 22.514 20.799 1.00 25.00 C ATOM 457 O ASN A 30 21.755 21.776 21.035 1.00 25.00 O ATOM 458 CB ASN A 30 22.940 22.931 23.271 1.00 25.00 C ATOM 459 CG ASN A 30 23.931 21.874 23.734 1.00 25.00 C ATOM 460 OD1 ASN A 30 24.292 20.968 22.869 1.00 25.00 O flip ATOM 461 ND2 ASN A 30 24.375 21.899 24.871 1.00 25.00 N flip ATOM 0 H ASN A 30 21.756 24.920 22.161 1.00 25.00 H new ATOM 0 HA ASN A 30 24.320 23.530 21.740 1.00 25.00 H new ATOM 0 HB2 ASN A 30 22.948 23.762 23.977 1.00 25.00 H new ATOM 0 HB3 ASN A 30 21.935 22.509 23.287 1.00 25.00 H new ATOM 0 HD21 ASN A 30 24.070 22.623 25.522 1.00 25.00 H new ATOM 0 HD22 ASN A 30 25.051 21.196 25.170 1.00 25.00 H new ATOM 468 N TYR A 31 23.315 22.542 19.625 1.00 25.00 N ATOM 469 CA TYR A 31 22.872 21.719 18.498 1.00 25.00 C ATOM 470 C TYR A 31 22.680 20.245 18.829 1.00 25.00 C ATOM 471 O TYR A 31 21.714 19.635 18.405 1.00 25.00 O ATOM 472 CB TYR A 31 23.872 21.835 17.334 1.00 25.00 C ATOM 473 CG TYR A 31 23.523 20.935 16.165 1.00 25.00 C ATOM 474 CD1 TYR A 31 22.597 21.352 15.180 1.00 25.00 C ATOM 475 CD2 TYR A 31 24.097 19.648 16.043 1.00 25.00 C ATOM 476 CE1 TYR A 31 22.261 20.507 14.093 1.00 25.00 C ATOM 477 CE2 TYR A 31 23.753 18.801 14.959 1.00 25.00 C ATOM 478 CZ TYR A 31 22.838 19.240 13.993 1.00 25.00 C ATOM 479 OH TYR A 31 22.504 18.409 12.954 1.00 25.00 O ATOM 0 H TYR A 31 24.128 23.125 19.426 1.00 25.00 H new ATOM 0 HA TYR A 31 21.892 22.111 18.224 1.00 25.00 H new ATOM 0 HB2 TYR A 31 23.906 22.869 16.992 1.00 25.00 H new ATOM 0 HB3 TYR A 31 24.870 21.585 17.693 1.00 25.00 H new ATOM 0 HD1 TYR A 31 22.140 22.327 15.257 1.00 25.00 H new ATOM 0 HD2 TYR A 31 24.805 19.307 16.784 1.00 25.00 H new ATOM 0 HE1 TYR A 31 21.560 20.843 13.343 1.00 25.00 H new ATOM 0 HE2 TYR A 31 24.196 17.819 14.878 1.00 25.00 H new ATOM 0 HH TYR A 31 22.998 17.567 13.037 1.00 25.00 H new ATOM 489 N GLU A 32 23.577 19.666 19.607 1.00 25.00 N ATOM 490 CA GLU A 32 23.480 18.252 19.916 1.00 25.00 C ATOM 491 C GLU A 32 22.219 17.978 20.728 1.00 25.00 C ATOM 492 O GLU A 32 21.420 17.118 20.389 1.00 25.00 O ATOM 493 CB GLU A 32 24.703 17.822 20.705 1.00 25.00 C ATOM 494 CG GLU A 32 24.783 16.331 20.884 1.00 25.00 C ATOM 495 CD GLU A 32 25.985 15.913 21.709 1.00 25.00 C ATOM 496 OE1 GLU A 32 26.686 16.816 22.228 1.00 25.00 O ATOM 497 OE2 GLU A 32 26.225 14.706 21.850 1.00 25.00 O ATOM 0 H GLU A 32 24.371 20.146 20.031 1.00 25.00 H new ATOM 0 HA GLU A 32 23.429 17.685 18.986 1.00 25.00 H new ATOM 0 HB2 GLU A 32 25.601 18.171 20.195 1.00 25.00 H new ATOM 0 HB3 GLU A 32 24.686 18.301 21.684 1.00 25.00 H new ATOM 0 HG2 GLU A 32 23.873 15.976 21.367 1.00 25.00 H new ATOM 0 HG3 GLU A 32 24.832 15.852 19.906 1.00 25.00 H new ATOM 504 N GLN A 33 22.021 18.759 21.784 1.00 25.00 N ATOM 505 CA GLN A 33 20.848 18.634 22.643 1.00 25.00 C ATOM 506 C GLN A 33 19.565 18.878 21.866 1.00 25.00 C ATOM 507 O GLN A 33 18.532 18.258 22.125 1.00 25.00 O ATOM 508 CB GLN A 33 20.941 19.637 23.806 1.00 25.00 C ATOM 509 CG GLN A 33 21.481 19.044 25.109 1.00 25.00 C ATOM 510 CD GLN A 33 20.709 17.808 25.557 1.00 25.00 C ATOM 511 OE1 GLN A 33 21.285 16.779 25.823 1.00 25.00 O ATOM 512 NE2 GLN A 33 19.403 17.912 25.621 1.00 25.00 N ATOM 0 H GLN A 33 22.667 19.495 22.069 1.00 25.00 H new ATOM 0 HA GLN A 33 20.825 17.616 23.033 1.00 25.00 H new ATOM 0 HB2 GLN A 33 21.582 20.466 23.505 1.00 25.00 H new ATOM 0 HB3 GLN A 33 19.950 20.052 23.993 1.00 25.00 H new ATOM 0 HG2 GLN A 33 22.531 18.783 24.977 1.00 25.00 H new ATOM 0 HG3 GLN A 33 21.436 19.800 25.893 1.00 25.00 H new ATOM 0 HE21 GLN A 33 18.950 18.796 25.389 1.00 25.00 H new ATOM 0 HE22 GLN A 33 18.841 17.109 25.902 1.00 25.00 H new ATOM 521 N GLN A 34 19.641 19.785 20.904 1.00 25.00 N ATOM 522 CA GLN A 34 18.510 20.079 20.053 1.00 25.00 C ATOM 523 C GLN A 34 18.140 18.825 19.261 1.00 25.00 C ATOM 524 O GLN A 34 16.970 18.437 19.243 1.00 25.00 O ATOM 525 CB GLN A 34 18.837 21.235 19.107 1.00 25.00 C ATOM 526 CG GLN A 34 18.799 22.595 19.768 1.00 25.00 C ATOM 527 CD GLN A 34 19.471 23.653 18.921 1.00 25.00 C ATOM 528 OE1 GLN A 34 19.671 23.476 17.735 1.00 25.00 O ATOM 529 NE2 GLN A 34 19.830 24.747 19.529 1.00 25.00 N ATOM 0 H GLN A 34 20.479 20.329 20.697 1.00 25.00 H new ATOM 0 HA GLN A 34 17.663 20.380 20.669 1.00 25.00 H new ATOM 0 HB2 GLN A 34 19.828 21.075 18.683 1.00 25.00 H new ATOM 0 HB3 GLN A 34 18.130 21.225 18.278 1.00 25.00 H new ATOM 0 HG2 GLN A 34 17.763 22.881 19.951 1.00 25.00 H new ATOM 0 HG3 GLN A 34 19.291 22.541 20.739 1.00 25.00 H new ATOM 0 HE21 GLN A 34 19.646 24.861 20.526 1.00 25.00 H new ATOM 0 HE22 GLN A 34 20.296 25.490 19.009 1.00 25.00 H new ATOM 538 N GLN A 35 19.117 18.157 18.664 1.00 25.00 N ATOM 539 CA GLN A 35 18.848 16.937 17.900 1.00 25.00 C ATOM 540 C GLN A 35 18.277 15.842 18.777 1.00 25.00 C ATOM 541 O GLN A 35 17.365 15.141 18.383 1.00 25.00 O ATOM 542 CB GLN A 35 20.127 16.418 17.261 1.00 25.00 C ATOM 543 CG GLN A 35 20.682 17.329 16.200 1.00 25.00 C ATOM 544 CD GLN A 35 19.768 17.436 14.994 1.00 25.00 C ATOM 545 OE1 GLN A 35 19.279 16.439 14.483 1.00 25.00 O ATOM 546 NE2 GLN A 35 19.510 18.638 14.562 1.00 25.00 N ATOM 0 H GLN A 35 20.099 18.433 18.691 1.00 25.00 H new ATOM 0 HA GLN A 35 18.118 17.197 17.133 1.00 25.00 H new ATOM 0 HB2 GLN A 35 20.880 16.277 18.037 1.00 25.00 H new ATOM 0 HB3 GLN A 35 19.933 15.439 16.823 1.00 25.00 H new ATOM 0 HG2 GLN A 35 20.839 18.321 16.623 1.00 25.00 H new ATOM 0 HG3 GLN A 35 21.657 16.960 15.882 1.00 25.00 H new ATOM 0 HE21 GLN A 35 19.938 19.446 15.015 1.00 25.00 H new ATOM 0 HE22 GLN A 35 18.880 18.771 13.771 1.00 25.00 H new ATOM 555 N ILE A 36 18.810 15.700 19.984 1.00 25.00 N ATOM 556 CA ILE A 36 18.334 14.667 20.917 1.00 25.00 C ATOM 557 C ILE A 36 16.850 14.881 21.221 1.00 25.00 C ATOM 558 O ILE A 36 16.072 13.921 21.222 1.00 25.00 O ATOM 559 CB ILE A 36 19.163 14.678 22.238 1.00 25.00 C ATOM 560 CG1 ILE A 36 20.628 14.309 21.932 1.00 25.00 C ATOM 561 CG2 ILE A 36 18.572 13.681 23.278 1.00 25.00 C ATOM 562 CD1 ILE A 36 21.629 14.699 23.044 1.00 25.00 C ATOM 0 H ILE A 36 19.568 16.279 20.345 1.00 25.00 H new ATOM 0 HA ILE A 36 18.466 13.693 20.445 1.00 25.00 H new ATOM 0 HB ILE A 36 19.119 15.680 22.665 1.00 25.00 H new ATOM 0 HG12 ILE A 36 20.692 13.234 21.763 1.00 25.00 H new ATOM 0 HG13 ILE A 36 20.927 14.796 21.004 1.00 25.00 H new ATOM 0 HG21 ILE A 36 19.169 13.709 24.189 1.00 25.00 H new ATOM 0 HG22 ILE A 36 17.545 13.962 23.509 1.00 25.00 H new ATOM 0 HG23 ILE A 36 18.588 12.672 22.865 1.00 25.00 H new ATOM 0 HD11 ILE A 36 22.635 14.404 22.748 1.00 25.00 H new ATOM 0 HD12 ILE A 36 21.598 15.777 23.199 1.00 25.00 H new ATOM 0 HD13 ILE A 36 21.360 14.191 23.970 1.00 25.00 H new ATOM 574 N LEU A 37 16.431 16.119 21.443 1.00 25.00 N ATOM 575 CA LEU A 37 15.020 16.389 21.687 1.00 25.00 C ATOM 576 C LEU A 37 14.207 16.115 20.423 1.00 25.00 C ATOM 577 O LEU A 37 13.132 15.526 20.479 1.00 25.00 O ATOM 578 CB LEU A 37 14.809 17.850 22.130 1.00 25.00 C ATOM 579 CG LEU A 37 13.335 18.201 22.426 1.00 25.00 C ATOM 580 CD1 LEU A 37 12.791 17.463 23.659 1.00 25.00 C ATOM 581 CD2 LEU A 37 13.198 19.689 22.620 1.00 25.00 C ATOM 0 H LEU A 37 17.036 16.940 21.459 1.00 25.00 H new ATOM 0 HA LEU A 37 14.682 15.730 22.486 1.00 25.00 H new ATOM 0 HB2 LEU A 37 15.405 18.040 23.023 1.00 25.00 H new ATOM 0 HB3 LEU A 37 15.182 18.514 21.351 1.00 25.00 H new ATOM 0 HG LEU A 37 12.744 17.877 21.569 1.00 25.00 H new ATOM 0 HD11 LEU A 37 11.751 17.746 23.823 1.00 25.00 H new ATOM 0 HD12 LEU A 37 12.853 16.387 23.496 1.00 25.00 H new ATOM 0 HD13 LEU A 37 13.382 17.732 24.534 1.00 25.00 H new ATOM 0 HD21 LEU A 37 12.157 19.934 22.829 1.00 25.00 H new ATOM 0 HD22 LEU A 37 13.820 20.006 23.457 1.00 25.00 H new ATOM 0 HD23 LEU A 37 13.518 20.205 21.715 1.00 25.00 H new ATOM 593 N ILE A 38 14.719 16.540 19.280 1.00 25.00 N ATOM 594 CA ILE A 38 14.020 16.354 18.006 1.00 25.00 C ATOM 595 C ILE A 38 13.798 14.864 17.752 1.00 25.00 C ATOM 596 O ILE A 38 12.728 14.473 17.308 1.00 25.00 O ATOM 597 CB ILE A 38 14.810 17.007 16.812 1.00 25.00 C ATOM 598 CG1 ILE A 38 14.785 18.547 16.936 1.00 25.00 C ATOM 599 CG2 ILE A 38 14.199 16.608 15.449 1.00 25.00 C ATOM 600 CD1 ILE A 38 15.858 19.285 16.114 1.00 25.00 C ATOM 0 H ILE A 38 15.617 17.017 19.202 1.00 25.00 H new ATOM 0 HA ILE A 38 13.055 16.856 18.070 1.00 25.00 H new ATOM 0 HB ILE A 38 15.836 16.643 16.860 1.00 25.00 H new ATOM 0 HG12 ILE A 38 13.803 18.905 16.628 1.00 25.00 H new ATOM 0 HG13 ILE A 38 14.906 18.814 17.986 1.00 25.00 H new ATOM 0 HG21 ILE A 38 14.767 17.075 14.645 1.00 25.00 H new ATOM 0 HG22 ILE A 38 14.236 15.524 15.337 1.00 25.00 H new ATOM 0 HG23 ILE A 38 13.163 16.943 15.403 1.00 25.00 H new ATOM 0 HD11 ILE A 38 15.758 20.360 16.267 1.00 25.00 H new ATOM 0 HD12 ILE A 38 16.848 18.963 16.436 1.00 25.00 H new ATOM 0 HD13 ILE A 38 15.728 19.056 15.056 1.00 25.00 H new ATOM 612 N ARG A 39 14.772 14.025 18.078 1.00 25.00 N ATOM 613 CA ARG A 39 14.604 12.579 17.873 1.00 25.00 C ATOM 614 C ARG A 39 13.393 12.043 18.642 1.00 25.00 C ATOM 615 O ARG A 39 12.602 11.267 18.111 1.00 25.00 O ATOM 616 CB ARG A 39 15.855 11.806 18.297 1.00 25.00 C ATOM 617 CG ARG A 39 17.031 11.968 17.320 1.00 25.00 C ATOM 618 CD ARG A 39 17.933 10.732 17.354 1.00 25.00 C ATOM 619 NE ARG A 39 17.267 9.564 16.743 1.00 25.00 N ATOM 620 CZ ARG A 39 17.788 8.347 16.663 1.00 25.00 C ATOM 621 NH1 ARG A 39 18.980 8.073 17.120 1.00 25.00 N ATOM 622 NH2 ARG A 39 17.084 7.393 16.105 1.00 25.00 N ATOM 0 H ARG A 39 15.669 14.304 18.476 1.00 25.00 H new ATOM 0 HA ARG A 39 14.440 12.430 16.806 1.00 25.00 H new ATOM 0 HB2 ARG A 39 16.164 12.144 19.286 1.00 25.00 H new ATOM 0 HB3 ARG A 39 15.608 10.748 18.384 1.00 25.00 H new ATOM 0 HG2 ARG A 39 16.653 12.121 16.309 1.00 25.00 H new ATOM 0 HG3 ARG A 39 17.609 12.854 17.582 1.00 25.00 H new ATOM 0 HD2 ARG A 39 18.862 10.942 16.824 1.00 25.00 H new ATOM 0 HD3 ARG A 39 18.200 10.502 18.386 1.00 25.00 H new ATOM 0 HE ARG A 39 16.335 9.704 16.353 1.00 25.00 H new ATOM 0 HH11 ARG A 39 19.540 8.806 17.555 1.00 25.00 H new ATOM 0 HH12 ARG A 39 19.351 7.126 17.042 1.00 25.00 H new ATOM 0 HH21 ARG A 39 16.152 7.593 15.741 1.00 25.00 H new ATOM 0 HH22 ARG A 39 17.468 6.451 16.034 1.00 25.00 H new ATOM 636 N GLN A 40 13.233 12.486 19.878 1.00 25.00 N ATOM 637 CA GLN A 40 12.112 12.058 20.719 1.00 25.00 C ATOM 638 C GLN A 40 10.796 12.596 20.161 1.00 25.00 C ATOM 639 O GLN A 40 9.799 11.888 20.103 1.00 25.00 O ATOM 640 CB GLN A 40 12.291 12.584 22.146 1.00 25.00 C ATOM 641 CG GLN A 40 13.522 12.032 22.827 1.00 25.00 C ATOM 642 CD GLN A 40 13.786 12.692 24.159 1.00 25.00 C ATOM 643 OE1 GLN A 40 12.956 12.700 25.046 1.00 25.00 O ATOM 644 NE2 GLN A 40 14.954 13.254 24.296 1.00 25.00 N ATOM 0 H GLN A 40 13.866 13.146 20.329 1.00 25.00 H new ATOM 0 HA GLN A 40 12.090 10.968 20.727 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.353 13.672 22.122 1.00 25.00 H new ATOM 0 HB3 GLN A 40 11.410 12.328 22.735 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.403 10.959 22.974 1.00 25.00 H new ATOM 0 HG3 GLN A 40 14.386 12.171 22.178 1.00 25.00 H new ATOM 0 HE21 GLN A 40 15.626 13.227 23.529 1.00 25.00 H new ATOM 0 HE22 GLN A 40 15.196 13.720 25.170 1.00 25.00 H new ATOM 653 N LEU A 41 10.812 13.847 19.738 1.00 25.00 N ATOM 654 CA LEU A 41 9.624 14.471 19.171 1.00 25.00 C ATOM 655 C LEU A 41 9.181 13.750 17.918 1.00 25.00 C ATOM 656 O LEU A 41 7.997 13.548 17.725 1.00 25.00 O ATOM 657 CB LEU A 41 9.886 15.943 18.844 1.00 25.00 C ATOM 658 CG LEU A 41 10.103 16.892 20.029 1.00 25.00 C ATOM 659 CD1 LEU A 41 10.572 18.240 19.498 1.00 25.00 C ATOM 660 CD2 LEU A 41 8.836 17.054 20.870 1.00 25.00 C ATOM 0 H LEU A 41 11.632 14.453 19.775 1.00 25.00 H new ATOM 0 HA LEU A 41 8.832 14.406 19.917 1.00 25.00 H new ATOM 0 HB2 LEU A 41 10.765 15.996 18.202 1.00 25.00 H new ATOM 0 HB3 LEU A 41 9.043 16.316 18.262 1.00 25.00 H new ATOM 0 HG LEU A 41 10.862 16.465 20.684 1.00 25.00 H new ATOM 0 HD11 LEU A 41 10.730 18.924 20.332 1.00 25.00 H new ATOM 0 HD12 LEU A 41 11.507 18.111 18.952 1.00 25.00 H new ATOM 0 HD13 LEU A 41 9.815 18.651 18.830 1.00 25.00 H new ATOM 0 HD21 LEU A 41 9.034 17.734 21.699 1.00 25.00 H new ATOM 0 HD22 LEU A 41 8.037 17.460 20.250 1.00 25.00 H new ATOM 0 HD23 LEU A 41 8.533 16.083 21.262 1.00 25.00 H new ATOM 672 N GLN A 42 10.115 13.345 17.074 1.00 25.00 N ATOM 673 CA GLN A 42 9.768 12.653 15.832 1.00 25.00 C ATOM 674 C GLN A 42 9.143 11.289 16.113 1.00 25.00 C ATOM 675 O GLN A 42 8.166 10.909 15.471 1.00 25.00 O ATOM 676 CB GLN A 42 11.007 12.477 14.964 1.00 25.00 C ATOM 677 CG GLN A 42 11.535 13.768 14.350 1.00 25.00 C ATOM 678 CD GLN A 42 12.794 13.539 13.546 1.00 25.00 C ATOM 679 OE1 GLN A 42 13.370 12.461 13.562 1.00 25.00 O ATOM 680 NE2 GLN A 42 13.242 14.558 12.855 1.00 25.00 N ATOM 0 H GLN A 42 11.116 13.480 17.220 1.00 25.00 H new ATOM 0 HA GLN A 42 9.037 13.265 15.304 1.00 25.00 H new ATOM 0 HB2 GLN A 42 11.796 12.026 15.566 1.00 25.00 H new ATOM 0 HB3 GLN A 42 10.777 11.775 14.162 1.00 25.00 H new ATOM 0 HG2 GLN A 42 10.769 14.204 13.708 1.00 25.00 H new ATOM 0 HG3 GLN A 42 11.736 14.490 15.141 1.00 25.00 H new ATOM 0 HE21 GLN A 42 12.735 15.443 12.865 1.00 25.00 H new ATOM 0 HE22 GLN A 42 14.097 14.466 12.307 1.00 25.00 H new ATOM 689 N GLU A 43 9.682 10.558 17.081 1.00 25.00 N ATOM 690 CA GLU A 43 9.133 9.253 17.433 1.00 25.00 C ATOM 691 C GLU A 43 7.725 9.397 18.003 1.00 25.00 C ATOM 692 O GLU A 43 6.784 8.754 17.549 1.00 25.00 O ATOM 693 CB GLU A 43 10.050 8.568 18.445 1.00 25.00 C ATOM 694 CG GLU A 43 9.451 7.345 19.080 1.00 25.00 C ATOM 695 CD GLU A 43 10.493 6.504 19.772 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.084 6.979 20.773 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.766 5.381 19.294 1.00 25.00 O ATOM 0 H GLU A 43 10.492 10.843 17.632 1.00 25.00 H new ATOM 0 HA GLU A 43 9.072 8.641 16.533 1.00 25.00 H new ATOM 0 HB2 GLU A 43 10.979 8.289 17.948 1.00 25.00 H new ATOM 0 HB3 GLU A 43 10.309 9.282 19.227 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.690 7.646 19.800 1.00 25.00 H new ATOM 0 HG3 GLU A 43 8.950 6.748 18.318 1.00 25.00 H new ATOM 704 N GLN A 44 7.578 10.272 18.988 1.00 25.00 N ATOM 705 CA GLN A 44 6.276 10.499 19.613 1.00 25.00 C ATOM 706 C GLN A 44 5.268 11.048 18.592 1.00 25.00 C ATOM 707 O GLN A 44 4.099 10.677 18.618 1.00 25.00 O ATOM 708 CB GLN A 44 6.422 11.456 20.798 1.00 25.00 C ATOM 709 CG GLN A 44 7.186 10.866 21.975 1.00 25.00 C ATOM 710 CD GLN A 44 7.147 11.751 23.195 1.00 25.00 C ATOM 711 OE1 GLN A 44 6.574 11.388 24.215 1.00 25.00 O ATOM 712 NE2 GLN A 44 7.735 12.922 23.105 1.00 25.00 N ATOM 0 H GLN A 44 8.337 10.835 19.372 1.00 25.00 H new ATOM 0 HA GLN A 44 5.896 9.545 19.979 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.931 12.359 20.463 1.00 25.00 H new ATOM 0 HB3 GLN A 44 5.430 11.756 21.135 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.766 9.892 22.224 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.223 10.701 21.684 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.203 13.192 22.240 1.00 25.00 H new ATOM 0 HE22 GLN A 44 7.723 13.561 23.900 1.00 25.00 H new ATOM 721 N HIS A 45 5.725 11.868 17.650 1.00 25.00 N ATOM 722 CA HIS A 45 4.850 12.388 16.601 1.00 25.00 C ATOM 723 C HIS A 45 4.321 11.240 15.773 1.00 25.00 C ATOM 724 O HIS A 45 3.151 11.209 15.453 1.00 25.00 O ATOM 725 CB HIS A 45 5.608 13.362 15.697 1.00 25.00 C ATOM 726 CG HIS A 45 4.760 13.998 14.638 1.00 25.00 C ATOM 727 ND1 HIS A 45 5.290 14.700 13.547 1.00 25.00 N ATOM 728 CD2 HIS A 45 3.412 14.079 14.477 1.00 25.00 C ATOM 729 CE1 HIS A 45 4.290 15.152 12.805 1.00 25.00 C ATOM 730 NE2 HIS A 45 3.154 14.801 13.352 1.00 25.00 N ATOM 0 H HIS A 45 6.692 12.186 17.590 1.00 25.00 H new ATOM 0 HA HIS A 45 4.022 12.921 17.069 1.00 25.00 H new ATOM 0 HB2 HIS A 45 6.049 14.145 16.314 1.00 25.00 H new ATOM 0 HB3 HIS A 45 6.431 12.832 15.219 1.00 25.00 H new ATOM 0 HD2 HIS A 45 2.671 13.644 15.131 1.00 25.00 H new ATOM 0 HE1 HIS A 45 4.395 15.720 11.893 1.00 25.00 H new ATOM 0 HE2 HIS A 45 2.227 15.031 12.994 1.00 25.00 H new ATOM 738 N TYR A 46 5.170 10.284 15.438 1.00 25.00 N ATOM 739 CA TYR A 46 4.735 9.106 14.676 1.00 25.00 C ATOM 740 C TYR A 46 3.732 8.289 15.459 1.00 25.00 C ATOM 741 O TYR A 46 2.690 7.911 14.927 1.00 25.00 O ATOM 742 CB TYR A 46 5.921 8.233 14.297 1.00 25.00 C ATOM 743 CG TYR A 46 5.503 6.958 13.608 1.00 25.00 C ATOM 744 CD1 TYR A 46 5.248 6.937 12.224 1.00 25.00 C ATOM 745 CD2 TYR A 46 5.353 5.760 14.345 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.849 5.746 11.583 1.00 25.00 C ATOM 747 CE2 TYR A 46 4.960 4.558 13.699 1.00 25.00 C ATOM 748 CZ TYR A 46 4.711 4.572 12.319 1.00 25.00 C ATOM 749 OH TYR A 46 4.352 3.415 11.672 1.00 25.00 O ATOM 0 H TYR A 46 6.162 10.292 15.676 1.00 25.00 H new ATOM 0 HA TYR A 46 4.258 9.467 13.765 1.00 25.00 H new ATOM 0 HB2 TYR A 46 6.587 8.795 13.642 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.489 7.988 15.194 1.00 25.00 H new ATOM 0 HD1 TYR A 46 5.359 7.843 11.647 1.00 25.00 H new ATOM 0 HD2 TYR A 46 5.539 5.759 15.409 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.650 5.744 10.521 1.00 25.00 H new ATOM 0 HE2 TYR A 46 4.854 3.644 14.264 1.00 25.00 H new ATOM 0 HH TYR A 46 3.388 3.424 11.497 1.00 25.00 H new ATOM 759 N GLN A 47 4.030 8.021 16.718 1.00 25.00 N ATOM 760 CA GLN A 47 3.135 7.238 17.558 1.00 25.00 C ATOM 761 C GLN A 47 1.751 7.873 17.609 1.00 25.00 C ATOM 762 O GLN A 47 0.754 7.226 17.325 1.00 25.00 O ATOM 763 CB GLN A 47 3.696 7.111 18.984 1.00 25.00 C ATOM 764 CG GLN A 47 4.950 6.237 19.087 1.00 25.00 C ATOM 765 CD GLN A 47 4.632 4.760 19.037 1.00 25.00 C ATOM 766 OE1 GLN A 47 4.386 4.198 17.984 1.00 25.00 O ATOM 767 NE2 GLN A 47 4.635 4.129 20.183 1.00 25.00 N ATOM 0 H GLN A 47 4.883 8.333 17.183 1.00 25.00 H new ATOM 0 HA GLN A 47 3.054 6.243 17.120 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.928 8.107 19.362 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.923 6.697 19.631 1.00 25.00 H new ATOM 0 HG2 GLN A 47 5.631 6.487 18.273 1.00 25.00 H new ATOM 0 HG3 GLN A 47 5.470 6.462 20.018 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.846 4.635 21.043 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.426 3.131 20.216 1.00 25.00 H new ATOM 776 N GLN A 48 1.691 9.153 17.938 1.00 25.00 N ATOM 777 CA GLN A 48 0.418 9.854 18.038 1.00 25.00 C ATOM 778 C GLN A 48 -0.252 10.010 16.677 1.00 25.00 C ATOM 779 O GLN A 48 -1.464 9.906 16.579 1.00 25.00 O ATOM 780 CB GLN A 48 0.634 11.227 18.685 1.00 25.00 C ATOM 781 CG GLN A 48 -0.662 11.984 18.983 1.00 25.00 C ATOM 782 CD GLN A 48 -1.585 11.250 19.942 1.00 25.00 C ATOM 783 OE1 GLN A 48 -1.152 10.719 20.944 1.00 25.00 O ATOM 784 NE2 GLN A 48 -2.858 11.228 19.637 1.00 25.00 N ATOM 0 H GLN A 48 2.508 9.729 18.141 1.00 25.00 H new ATOM 0 HA GLN A 48 -0.247 9.257 18.661 1.00 25.00 H new ATOM 0 HB2 GLN A 48 1.189 11.096 19.614 1.00 25.00 H new ATOM 0 HB3 GLN A 48 1.255 11.834 18.026 1.00 25.00 H new ATOM 0 HG2 GLN A 48 -0.416 12.959 19.403 1.00 25.00 H new ATOM 0 HG3 GLN A 48 -1.192 12.164 18.048 1.00 25.00 H new ATOM 0 HE21 GLN A 48 -3.187 11.685 18.786 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -3.521 10.754 20.250 1.00 25.00 H new ATOM 793 N TYR A 49 0.517 10.219 15.617 1.00 25.00 N ATOM 794 CA TYR A 49 -0.074 10.336 14.285 1.00 25.00 C ATOM 795 C TYR A 49 -0.730 9.037 13.891 1.00 25.00 C ATOM 796 O TYR A 49 -1.867 9.035 13.455 1.00 25.00 O ATOM 797 CB TYR A 49 0.982 10.690 13.236 1.00 25.00 C ATOM 798 CG TYR A 49 0.480 10.504 11.810 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.608 11.257 11.314 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.073 9.552 10.958 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.076 11.080 9.980 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.598 9.365 9.626 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.464 10.140 9.151 1.00 25.00 C ATOM 804 OH TYR A 49 -0.925 9.968 7.866 1.00 25.00 O ATOM 0 H TYR A 49 1.532 10.310 15.647 1.00 25.00 H new ATOM 0 HA TYR A 49 -0.815 11.134 14.325 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.293 11.725 13.375 1.00 25.00 H new ATOM 0 HB3 TYR A 49 1.864 10.068 13.390 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -1.092 11.978 11.956 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.898 8.956 11.318 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.901 11.671 9.612 1.00 25.00 H new ATOM 0 HE2 TYR A 49 1.058 8.626 8.986 1.00 25.00 H new ATOM 0 HH TYR A 49 -0.393 9.278 7.417 1.00 25.00 H new ATOM 814 N MET A 50 -0.030 7.924 14.059 1.00 25.00 N ATOM 815 CA MET A 50 -0.591 6.635 13.662 1.00 25.00 C ATOM 816 C MET A 50 -1.792 6.300 14.521 1.00 25.00 C ATOM 817 O MET A 50 -2.811 5.862 14.010 1.00 25.00 O ATOM 818 CB MET A 50 0.465 5.534 13.761 1.00 25.00 C ATOM 819 CG MET A 50 0.145 4.321 12.883 1.00 25.00 C ATOM 820 SD MET A 50 1.203 4.224 11.424 1.00 25.00 S ATOM 821 CE MET A 50 0.705 5.654 10.461 1.00 25.00 C ATOM 0 H MET A 50 0.908 7.883 14.458 1.00 25.00 H new ATOM 0 HA MET A 50 -0.915 6.703 12.623 1.00 25.00 H new ATOM 0 HB2 MET A 50 1.434 5.940 13.472 1.00 25.00 H new ATOM 0 HB3 MET A 50 0.551 5.212 14.799 1.00 25.00 H new ATOM 0 HG2 MET A 50 0.259 3.411 13.471 1.00 25.00 H new ATOM 0 HG3 MET A 50 -0.898 4.369 12.569 1.00 25.00 H new ATOM 0 HE1 MET A 50 0.973 5.500 9.416 1.00 25.00 H new ATOM 0 HE2 MET A 50 -0.373 5.790 10.542 1.00 25.00 H new ATOM 0 HE3 MET A 50 1.212 6.542 10.839 1.00 25.00 H new ATOM 831 N GLN A 51 -1.703 6.595 15.812 1.00 25.00 N ATOM 832 CA GLN A 51 -2.813 6.379 16.737 1.00 25.00 C ATOM 833 C GLN A 51 -4.026 7.212 16.350 1.00 25.00 C ATOM 834 O GLN A 51 -5.157 6.734 16.383 1.00 25.00 O ATOM 835 CB GLN A 51 -2.363 6.756 18.162 1.00 25.00 C ATOM 836 CG GLN A 51 -3.400 6.498 19.248 1.00 25.00 C ATOM 837 CD GLN A 51 -2.874 6.867 20.617 1.00 25.00 C ATOM 838 OE1 GLN A 51 -1.743 6.570 20.959 1.00 25.00 O ATOM 839 NE2 GLN A 51 -3.694 7.511 21.409 1.00 25.00 N ATOM 0 H GLN A 51 -0.868 6.987 16.246 1.00 25.00 H new ATOM 0 HA GLN A 51 -3.098 5.328 16.695 1.00 25.00 H new ATOM 0 HB2 GLN A 51 -1.459 6.197 18.402 1.00 25.00 H new ATOM 0 HB3 GLN A 51 -2.097 7.813 18.176 1.00 25.00 H new ATOM 0 HG2 GLN A 51 -4.301 7.074 19.036 1.00 25.00 H new ATOM 0 HG3 GLN A 51 -3.684 5.446 19.238 1.00 25.00 H new ATOM 0 HE21 GLN A 51 -4.634 7.743 21.089 1.00 25.00 H new ATOM 0 HE22 GLN A 51 -3.392 7.780 22.345 1.00 25.00 H new ATOM 848 N GLN A 52 -3.814 8.466 15.991 1.00 25.00 N ATOM 849 CA GLN A 52 -4.918 9.345 15.656 1.00 25.00 C ATOM 850 C GLN A 52 -5.488 9.000 14.301 1.00 25.00 C ATOM 851 O GLN A 52 -6.691 8.948 14.128 1.00 25.00 O ATOM 852 CB GLN A 52 -4.458 10.814 15.691 1.00 25.00 C ATOM 853 CG GLN A 52 -5.615 11.804 15.813 1.00 25.00 C ATOM 854 CD GLN A 52 -6.404 11.570 17.094 1.00 25.00 C ATOM 855 OE1 GLN A 52 -5.855 11.509 18.176 1.00 25.00 O ATOM 856 NE2 GLN A 52 -7.687 11.359 16.955 1.00 25.00 N ATOM 0 H GLN A 52 -2.891 8.896 15.924 1.00 25.00 H new ATOM 0 HA GLN A 52 -5.705 9.207 16.398 1.00 25.00 H new ATOM 0 HB2 GLN A 52 -3.778 10.955 16.531 1.00 25.00 H new ATOM 0 HB3 GLN A 52 -3.895 11.033 14.784 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -5.228 12.823 15.801 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -6.276 11.704 14.952 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -8.116 11.418 16.032 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -8.258 11.135 17.770 1.00 25.00 H new ATOM 865 N LEU A 53 -4.609 8.736 13.342 1.00 25.00 N ATOM 866 CA LEU A 53 -5.012 8.385 11.979 1.00 25.00 C ATOM 867 C LEU A 53 -5.832 7.116 12.009 1.00 25.00 C ATOM 868 O LEU A 53 -6.813 6.995 11.280 1.00 25.00 O ATOM 869 CB LEU A 53 -3.765 8.173 11.101 1.00 25.00 C ATOM 870 CG LEU A 53 -4.064 7.715 9.666 1.00 25.00 C ATOM 871 CD1 LEU A 53 -4.642 8.869 8.843 1.00 25.00 C ATOM 872 CD2 LEU A 53 -2.800 7.189 9.034 1.00 25.00 C ATOM 0 H LEU A 53 -3.599 8.758 13.483 1.00 25.00 H new ATOM 0 HA LEU A 53 -5.608 9.196 11.561 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -3.202 9.106 11.061 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -3.122 7.433 11.578 1.00 25.00 H new ATOM 0 HG LEU A 53 -4.807 6.918 9.691 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -4.848 8.526 7.829 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.567 9.216 9.303 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -3.923 9.688 8.810 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -3.011 6.863 8.015 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -2.048 7.977 9.015 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -2.427 6.345 9.615 1.00 25.00 H new ATOM 884 N TYR A 54 -5.446 6.192 12.866 1.00 25.00 N ATOM 885 CA TYR A 54 -6.158 4.936 12.961 1.00 25.00 C ATOM 886 C TYR A 54 -7.608 5.202 13.299 1.00 25.00 C ATOM 887 O TYR A 54 -8.488 4.617 12.708 1.00 25.00 O ATOM 888 CB TYR A 54 -5.557 4.015 14.018 1.00 25.00 C ATOM 889 CG TYR A 54 -6.231 2.658 14.069 1.00 25.00 C ATOM 890 CD1 TYR A 54 -5.772 1.597 13.251 1.00 25.00 C ATOM 891 CD2 TYR A 54 -7.334 2.421 14.913 1.00 25.00 C ATOM 892 CE1 TYR A 54 -6.410 0.318 13.287 1.00 25.00 C ATOM 893 CE2 TYR A 54 -7.970 1.153 14.954 1.00 25.00 C ATOM 894 CZ TYR A 54 -7.492 0.112 14.146 1.00 25.00 C ATOM 895 OH TYR A 54 -8.089 -1.125 14.205 1.00 25.00 O ATOM 0 H TYR A 54 -4.652 6.286 13.500 1.00 25.00 H new ATOM 0 HA TYR A 54 -6.076 4.437 11.996 1.00 25.00 H new ATOM 0 HB2 TYR A 54 -4.495 3.880 13.814 1.00 25.00 H new ATOM 0 HB3 TYR A 54 -5.636 4.491 14.995 1.00 25.00 H new ATOM 0 HD1 TYR A 54 -4.931 1.756 12.593 1.00 25.00 H new ATOM 0 HD2 TYR A 54 -7.702 3.219 15.540 1.00 25.00 H new ATOM 0 HE1 TYR A 54 -6.058 -0.483 12.654 1.00 25.00 H new ATOM 0 HE2 TYR A 54 -8.817 0.991 15.604 1.00 25.00 H new ATOM 0 HH TYR A 54 -8.825 -1.102 14.851 1.00 25.00 H new ATOM 1884 N ILE B 155 1.046 11.784 3.351 1.00 25.00 N ATOM 1885 CA ILE B 155 0.356 11.430 4.595 1.00 25.00 C ATOM 1886 C ILE B 155 -0.900 12.296 4.673 1.00 25.00 C ATOM 1887 O ILE B 155 -1.035 13.210 3.879 1.00 25.00 O ATOM 1888 CB ILE B 155 1.236 11.788 5.834 1.00 25.00 C ATOM 1889 CG1 ILE B 155 1.735 13.251 5.715 1.00 25.00 C ATOM 1890 CG2 ILE B 155 2.414 10.768 5.971 1.00 25.00 C ATOM 1891 CD1 ILE B 155 2.352 13.835 6.952 1.00 25.00 C ATOM 0 HA ILE B 155 0.138 10.362 4.599 1.00 25.00 H new ATOM 0 HB ILE B 155 0.641 11.716 6.745 1.00 25.00 H new ATOM 0 HG12 ILE B 155 2.467 13.300 4.909 1.00 25.00 H new ATOM 0 HG13 ILE B 155 0.894 13.879 5.421 1.00 25.00 H new ATOM 0 HG21 ILE B 155 3.021 11.028 6.838 1.00 25.00 H new ATOM 0 HG22 ILE B 155 2.012 9.763 6.097 1.00 25.00 H new ATOM 0 HG23 ILE B 155 3.031 10.802 5.073 1.00 25.00 H new ATOM 0 HD11 ILE B 155 2.664 14.860 6.754 1.00 25.00 H new ATOM 0 HD12 ILE B 155 1.621 13.828 7.761 1.00 25.00 H new ATOM 0 HD13 ILE B 155 3.219 13.241 7.241 1.00 25.00 H new ATOM 1903 N ASP B 156 -1.718 12.118 5.710 1.00 25.00 N ATOM 1904 CA ASP B 156 -2.745 13.111 6.044 1.00 25.00 C ATOM 1905 C ASP B 156 -2.062 14.232 6.837 1.00 25.00 C ATOM 1906 O ASP B 156 -1.707 14.036 8.024 1.00 25.00 O ATOM 1907 CB ASP B 156 -3.832 12.495 6.924 1.00 25.00 C ATOM 1908 CG ASP B 156 -4.845 11.706 6.133 1.00 25.00 C ATOM 1909 OD1 ASP B 156 -5.810 12.329 5.654 1.00 25.00 O ATOM 1910 OD2 ASP B 156 -4.718 10.467 6.030 1.00 25.00 O ATOM 0 H ASP B 156 -1.693 11.307 6.328 1.00 25.00 H new ATOM 0 HA ASP B 156 -3.205 13.481 5.127 1.00 25.00 H new ATOM 0 HB2 ASP B 156 -3.368 11.843 7.664 1.00 25.00 H new ATOM 0 HB3 ASP B 156 -4.342 13.287 7.472 1.00 25.00 H new ATOM 1915 N PRO B 157 -1.815 15.409 6.220 1.00 25.00 N ATOM 1916 CA PRO B 157 -1.006 16.334 7.008 1.00 25.00 C ATOM 1917 C PRO B 157 -1.754 17.008 8.156 1.00 25.00 C ATOM 1918 O PRO B 157 -1.132 17.448 9.123 1.00 25.00 O ATOM 1919 CB PRO B 157 -0.561 17.363 5.967 1.00 25.00 C ATOM 1920 CG PRO B 157 -1.678 17.395 4.995 1.00 25.00 C ATOM 1921 CD PRO B 157 -2.118 15.958 4.880 1.00 25.00 C ATOM 0 HA PRO B 157 -0.192 15.815 7.514 1.00 25.00 H new ATOM 0 HB2 PRO B 157 -0.396 18.342 6.418 1.00 25.00 H new ATOM 0 HB3 PRO B 157 0.375 17.070 5.491 1.00 25.00 H new ATOM 0 HG2 PRO B 157 -2.490 18.032 5.344 1.00 25.00 H new ATOM 0 HG3 PRO B 157 -1.355 17.790 4.032 1.00 25.00 H new ATOM 0 HD2 PRO B 157 -3.179 15.879 4.642 1.00 25.00 H new ATOM 0 HD3 PRO B 157 -1.575 15.431 4.096 1.00 25.00 H new ATOM 1929 N GLU B 158 -3.074 17.097 8.058 1.00 25.00 N ATOM 1930 CA GLU B 158 -3.872 17.755 9.091 1.00 25.00 C ATOM 1931 C GLU B 158 -4.013 16.879 10.319 1.00 25.00 C ATOM 1932 O GLU B 158 -3.945 17.361 11.440 1.00 25.00 O ATOM 1933 CB GLU B 158 -5.252 18.108 8.554 1.00 25.00 C ATOM 1934 CG GLU B 158 -5.166 18.957 7.302 1.00 25.00 C ATOM 1935 CD GLU B 158 -6.510 19.507 6.875 1.00 25.00 C ATOM 1936 OE1 GLU B 158 -7.464 19.481 7.686 1.00 25.00 O ATOM 1937 OE2 GLU B 158 -6.605 19.998 5.739 1.00 25.00 O ATOM 0 H GLU B 158 -3.615 16.724 7.278 1.00 25.00 H new ATOM 0 HA GLU B 158 -3.351 18.669 9.377 1.00 25.00 H new ATOM 0 HB2 GLU B 158 -5.803 17.193 8.336 1.00 25.00 H new ATOM 0 HB3 GLU B 158 -5.814 18.644 9.319 1.00 25.00 H new ATOM 0 HG2 GLU B 158 -4.478 19.784 7.476 1.00 25.00 H new ATOM 0 HG3 GLU B 158 -4.748 18.360 6.491 1.00 25.00 H new ATOM 1944 N VAL B 159 -4.139 15.578 10.123 1.00 25.00 N ATOM 1945 CA VAL B 159 -4.179 14.641 11.239 1.00 25.00 C ATOM 1946 C VAL B 159 -2.807 14.668 11.906 1.00 25.00 C ATOM 1947 O VAL B 159 -2.689 14.650 13.132 1.00 25.00 O ATOM 1948 CB VAL B 159 -4.499 13.205 10.754 1.00 25.00 C ATOM 1949 CG1 VAL B 159 -4.555 12.215 11.941 1.00 25.00 C ATOM 1950 CG2 VAL B 159 -5.828 13.188 9.998 1.00 25.00 C ATOM 0 H VAL B 159 -4.216 15.144 9.203 1.00 25.00 H new ATOM 0 HA VAL B 159 -4.963 14.931 11.938 1.00 25.00 H new ATOM 0 HB VAL B 159 -3.700 12.890 10.084 1.00 25.00 H new ATOM 0 HG11 VAL B 159 -4.781 11.215 11.571 1.00 25.00 H new ATOM 0 HG12 VAL B 159 -3.592 12.204 12.451 1.00 25.00 H new ATOM 0 HG13 VAL B 159 -5.331 12.528 12.639 1.00 25.00 H new ATOM 0 HG21 VAL B 159 -6.042 12.174 9.662 1.00 25.00 H new ATOM 0 HG22 VAL B 159 -6.626 13.528 10.658 1.00 25.00 H new ATOM 0 HG23 VAL B 159 -5.764 13.850 9.135 1.00 25.00 H new ATOM 1960 N ALA B 160 -1.772 14.785 11.093 1.00 25.00 N ATOM 1961 CA ALA B 160 -0.410 14.816 11.597 1.00 25.00 C ATOM 1962 C ALA B 160 -0.136 16.117 12.364 1.00 25.00 C ATOM 1963 O ALA B 160 0.586 16.112 13.361 1.00 25.00 O ATOM 1964 CB ALA B 160 0.565 14.625 10.460 1.00 25.00 C ATOM 0 H ALA B 160 -1.849 14.860 10.079 1.00 25.00 H new ATOM 0 HA ALA B 160 -0.277 13.995 12.301 1.00 25.00 H new ATOM 0 HB1 ALA B 160 1.584 14.650 10.846 1.00 25.00 H new ATOM 0 HB2 ALA B 160 0.382 13.663 9.981 1.00 25.00 H new ATOM 0 HB3 ALA B 160 0.434 15.424 9.730 1.00 25.00 H new ATOM 1970 N GLN B 161 -0.740 17.215 11.933 1.00 25.00 N ATOM 1971 CA GLN B 161 -0.610 18.501 12.629 1.00 25.00 C ATOM 1972 C GLN B 161 -1.218 18.409 14.021 1.00 25.00 C ATOM 1973 O GLN B 161 -0.586 18.769 15.006 1.00 25.00 O ATOM 1974 CB GLN B 161 -1.311 19.604 11.832 1.00 25.00 C ATOM 1975 CG GLN B 161 -1.080 21.008 12.377 1.00 25.00 C ATOM 1976 CD GLN B 161 -1.805 22.061 11.562 1.00 25.00 C ATOM 1977 OE1 GLN B 161 -3.016 22.126 11.561 1.00 25.00 O ATOM 1978 NE2 GLN B 161 -1.059 22.875 10.865 1.00 25.00 N ATOM 0 H GLN B 161 -1.329 17.248 11.101 1.00 25.00 H new ATOM 0 HA GLN B 161 0.449 18.743 12.719 1.00 25.00 H new ATOM 0 HB2 GLN B 161 -0.966 19.566 10.799 1.00 25.00 H new ATOM 0 HB3 GLN B 161 -2.382 19.403 11.818 1.00 25.00 H new ATOM 0 HG2 GLN B 161 -1.418 21.055 13.412 1.00 25.00 H new ATOM 0 HG3 GLN B 161 -0.012 21.224 12.380 1.00 25.00 H new ATOM 0 HE21 GLN B 161 -0.043 22.787 10.894 1.00 25.00 H new ATOM 0 HE22 GLN B 161 -1.492 23.599 10.292 1.00 25.00 H new ATOM 1987 N LYS B 162 -2.427 17.865 14.117 1.00 25.00 N ATOM 1988 CA LYS B 162 -3.103 17.712 15.414 1.00 25.00 C ATOM 1989 C LYS B 162 -2.249 16.847 16.341 1.00 25.00 C ATOM 1990 O LYS B 162 -2.062 17.148 17.515 1.00 25.00 O ATOM 1991 CB LYS B 162 -4.493 17.084 15.220 1.00 25.00 C ATOM 1992 CG LYS B 162 -5.424 17.958 14.382 1.00 25.00 C ATOM 1993 CD LYS B 162 -6.640 17.169 13.900 1.00 25.00 C ATOM 1994 CE LYS B 162 -7.343 17.886 12.735 1.00 25.00 C ATOM 1995 NZ LYS B 162 -7.834 19.259 13.111 1.00 25.00 N ATOM 0 H LYS B 162 -2.962 17.522 13.319 1.00 25.00 H new ATOM 0 HA LYS B 162 -3.232 18.695 15.868 1.00 25.00 H new ATOM 0 HB2 LYS B 162 -4.384 16.112 14.739 1.00 25.00 H new ATOM 0 HB3 LYS B 162 -4.947 16.908 16.195 1.00 25.00 H new ATOM 0 HG2 LYS B 162 -5.753 18.813 14.972 1.00 25.00 H new ATOM 0 HG3 LYS B 162 -4.881 18.353 13.524 1.00 25.00 H new ATOM 0 HD2 LYS B 162 -6.328 16.174 13.583 1.00 25.00 H new ATOM 0 HD3 LYS B 162 -7.341 17.036 14.724 1.00 25.00 H new ATOM 0 HE2 LYS B 162 -6.653 17.968 11.895 1.00 25.00 H new ATOM 0 HE3 LYS B 162 -8.186 17.283 12.398 1.00 25.00 H new ATOM 0 HZ1 LYS B 162 -8.329 19.684 12.301 1.00 25.00 H new ATOM 0 HZ2 LYS B 162 -8.487 19.185 13.917 1.00 25.00 H new ATOM 0 HZ3 LYS B 162 -7.025 19.857 13.375 1.00 25.00 H new ATOM 2009 N ALA B 163 -1.683 15.781 15.778 1.00 25.00 N ATOM 2010 CA ALA B 163 -0.821 14.887 16.532 1.00 25.00 C ATOM 2011 C ALA B 163 0.443 15.577 17.045 1.00 25.00 C ATOM 2012 O ALA B 163 0.885 15.315 18.163 1.00 25.00 O ATOM 2013 CB ALA B 163 -0.438 13.683 15.659 1.00 25.00 C ATOM 0 H ALA B 163 -1.809 15.519 14.800 1.00 25.00 H new ATOM 0 HA ALA B 163 -1.383 14.558 17.406 1.00 25.00 H new ATOM 0 HB1 ALA B 163 0.209 13.013 16.226 1.00 25.00 H new ATOM 0 HB2 ALA B 163 -1.340 13.149 15.360 1.00 25.00 H new ATOM 0 HB3 ALA B 163 0.090 14.031 14.771 1.00 25.00 H new ATOM 2019 N CYS B 164 1.074 16.418 16.230 1.00 25.00 N ATOM 2020 CA CYS B 164 2.329 17.040 16.644 1.00 25.00 C ATOM 2021 C CYS B 164 2.093 18.068 17.740 1.00 25.00 C ATOM 2022 O CYS B 164 2.923 18.239 18.619 1.00 25.00 O ATOM 2023 CB CYS B 164 3.068 17.673 15.473 1.00 25.00 C ATOM 2024 SG CYS B 164 2.400 19.228 14.852 1.00 25.00 S ATOM 0 H CYS B 164 0.747 16.680 15.300 1.00 25.00 H new ATOM 0 HA CYS B 164 2.961 16.245 17.040 1.00 25.00 H new ATOM 0 HB2 CYS B 164 4.103 17.841 15.772 1.00 25.00 H new ATOM 0 HB3 CYS B 164 3.085 16.956 14.652 1.00 25.00 H new ATOM 0 HG CYS B 164 1.114 19.117 14.698 1.00 25.00 H new ATOM 2030 N GLN B 165 0.953 18.733 17.688 1.00 25.00 N ATOM 2031 CA GLN B 165 0.623 19.757 18.672 1.00 25.00 C ATOM 2032 C GLN B 165 0.474 19.112 20.050 1.00 25.00 C ATOM 2033 O GLN B 165 1.028 19.607 21.030 1.00 25.00 O ATOM 2034 CB GLN B 165 -0.666 20.472 18.267 1.00 25.00 C ATOM 2035 CG GLN B 165 -0.464 21.384 17.063 1.00 25.00 C ATOM 2036 CD GLN B 165 -1.760 21.942 16.520 1.00 25.00 C ATOM 2037 OE1 GLN B 165 -2.599 21.208 16.024 1.00 25.00 O ATOM 2038 NE2 GLN B 165 -1.927 23.234 16.609 1.00 25.00 N ATOM 0 H GLN B 165 0.238 18.585 16.976 1.00 25.00 H new ATOM 0 HA GLN B 165 1.425 20.494 18.715 1.00 25.00 H new ATOM 0 HB2 GLN B 165 -1.433 19.732 18.036 1.00 25.00 H new ATOM 0 HB3 GLN B 165 -1.033 21.060 19.108 1.00 25.00 H new ATOM 0 HG2 GLN B 165 0.190 22.209 17.345 1.00 25.00 H new ATOM 0 HG3 GLN B 165 0.044 20.829 16.275 1.00 25.00 H new ATOM 0 HE21 GLN B 165 -1.202 23.814 17.031 1.00 25.00 H new ATOM 0 HE22 GLN B 165 -2.783 23.663 16.257 1.00 25.00 H new ATOM 2047 N GLU B 166 -0.202 17.968 20.116 1.00 25.00 N ATOM 2048 CA GLU B 166 -0.364 17.258 21.391 1.00 25.00 C ATOM 2049 C GLU B 166 0.984 16.797 21.935 1.00 25.00 C ATOM 2050 O GLU B 166 1.248 16.901 23.130 1.00 25.00 O ATOM 2051 CB GLU B 166 -1.262 16.036 21.216 1.00 25.00 C ATOM 2052 CG GLU B 166 -2.729 16.380 21.052 1.00 25.00 C ATOM 2053 CD GLU B 166 -3.283 17.105 22.277 1.00 25.00 C ATOM 2054 OE1 GLU B 166 -3.078 16.608 23.415 1.00 25.00 O ATOM 2055 OE2 GLU B 166 -3.866 18.199 22.118 1.00 25.00 O ATOM 0 H GLU B 166 -0.643 17.514 19.316 1.00 25.00 H new ATOM 0 HA GLU B 166 -0.820 17.954 22.095 1.00 25.00 H new ATOM 0 HB2 GLU B 166 -0.930 15.473 20.344 1.00 25.00 H new ATOM 0 HB3 GLU B 166 -1.145 15.383 22.081 1.00 25.00 H new ATOM 0 HG2 GLU B 166 -2.859 17.007 20.170 1.00 25.00 H new ATOM 0 HG3 GLU B 166 -3.299 15.467 20.881 1.00 25.00 H new ATOM 2062 N VAL B 167 1.845 16.301 21.066 1.00 25.00 N ATOM 2063 CA VAL B 167 3.164 15.830 21.480 1.00 25.00 C ATOM 2064 C VAL B 167 3.978 16.979 22.062 1.00 25.00 C ATOM 2065 O VAL B 167 4.557 16.847 23.136 1.00 25.00 O ATOM 2066 CB VAL B 167 3.914 15.170 20.276 1.00 25.00 C ATOM 2067 CG1 VAL B 167 5.410 14.972 20.560 1.00 25.00 C ATOM 2068 CG2 VAL B 167 3.275 13.830 19.958 1.00 25.00 C ATOM 0 H VAL B 167 1.659 16.212 20.067 1.00 25.00 H new ATOM 0 HA VAL B 167 3.036 15.074 22.255 1.00 25.00 H new ATOM 0 HB VAL B 167 3.829 15.844 19.424 1.00 25.00 H new ATOM 0 HG11 VAL B 167 5.887 14.511 19.695 1.00 25.00 H new ATOM 0 HG12 VAL B 167 5.874 15.938 20.758 1.00 25.00 H new ATOM 0 HG13 VAL B 167 5.533 14.326 21.429 1.00 25.00 H new ATOM 0 HG21 VAL B 167 3.796 13.368 19.119 1.00 25.00 H new ATOM 0 HG22 VAL B 167 3.342 13.179 20.830 1.00 25.00 H new ATOM 0 HG23 VAL B 167 2.227 13.979 19.696 1.00 25.00 H new ATOM 2078 N LEU B 168 4.007 18.105 21.368 1.00 25.00 N ATOM 2079 CA LEU B 168 4.784 19.247 21.830 1.00 25.00 C ATOM 2080 C LEU B 168 4.232 19.758 23.157 1.00 25.00 C ATOM 2081 O LEU B 168 4.997 20.027 24.079 1.00 25.00 O ATOM 2082 CB LEU B 168 4.775 20.363 20.780 1.00 25.00 C ATOM 2083 CG LEU B 168 5.636 20.088 19.531 1.00 25.00 C ATOM 2084 CD1 LEU B 168 5.237 21.035 18.397 1.00 25.00 C ATOM 2085 CD2 LEU B 168 7.145 20.243 19.832 1.00 25.00 C ATOM 0 H LEU B 168 3.508 18.254 20.491 1.00 25.00 H new ATOM 0 HA LEU B 168 5.815 18.928 21.982 1.00 25.00 H new ATOM 0 HB2 LEU B 168 3.746 20.535 20.463 1.00 25.00 H new ATOM 0 HB3 LEU B 168 5.123 21.284 21.247 1.00 25.00 H new ATOM 0 HG LEU B 168 5.456 19.057 19.228 1.00 25.00 H new ATOM 0 HD11 LEU B 168 5.852 20.832 17.520 1.00 25.00 H new ATOM 0 HD12 LEU B 168 4.187 20.882 18.148 1.00 25.00 H new ATOM 0 HD13 LEU B 168 5.388 22.067 18.715 1.00 25.00 H new ATOM 0 HD21 LEU B 168 7.719 20.041 18.928 1.00 25.00 H new ATOM 0 HD22 LEU B 168 7.346 21.260 20.170 1.00 25.00 H new ATOM 0 HD23 LEU B 168 7.435 19.538 20.611 1.00 25.00 H new ATOM 2097 N GLU B 169 2.921 19.873 23.281 1.00 25.00 N ATOM 2098 CA GLU B 169 2.323 20.342 24.538 1.00 25.00 C ATOM 2099 C GLU B 169 2.619 19.364 25.663 1.00 25.00 C ATOM 2100 O GLU B 169 2.962 19.761 26.768 1.00 25.00 O ATOM 2101 CB GLU B 169 0.805 20.528 24.393 1.00 25.00 C ATOM 2102 CG GLU B 169 0.415 21.763 23.594 1.00 25.00 C ATOM 2103 CD GLU B 169 0.769 23.054 24.311 1.00 25.00 C ATOM 2104 OE1 GLU B 169 0.159 23.381 25.352 1.00 25.00 O ATOM 2105 OE2 GLU B 169 1.700 23.744 23.836 1.00 25.00 O ATOM 0 H GLU B 169 2.251 19.654 22.544 1.00 25.00 H new ATOM 0 HA GLU B 169 2.766 21.308 24.779 1.00 25.00 H new ATOM 0 HB2 GLU B 169 0.384 19.646 23.911 1.00 25.00 H new ATOM 0 HB3 GLU B 169 0.359 20.592 25.386 1.00 25.00 H new ATOM 0 HG2 GLU B 169 0.916 21.739 22.626 1.00 25.00 H new ATOM 0 HG3 GLU B 169 -0.657 21.742 23.398 1.00 25.00 H new ATOM 2112 N LYS B 170 2.536 18.065 25.398 1.00 25.00 N ATOM 2113 CA LYS B 170 2.842 17.081 26.429 1.00 25.00 C ATOM 2114 C LYS B 170 4.292 17.201 26.905 1.00 25.00 C ATOM 2115 O LYS B 170 4.544 17.170 28.116 1.00 25.00 O ATOM 2116 CB LYS B 170 2.592 15.663 25.905 1.00 25.00 C ATOM 2117 CG LYS B 170 2.489 14.626 27.009 1.00 25.00 C ATOM 2118 CD LYS B 170 1.164 14.731 27.766 1.00 25.00 C ATOM 2119 CE LYS B 170 1.261 13.980 29.071 1.00 25.00 C ATOM 2120 NZ LYS B 170 -0.005 14.123 29.851 1.00 25.00 N ATOM 0 H LYS B 170 2.265 17.674 24.496 1.00 25.00 H new ATOM 0 HA LYS B 170 2.184 17.278 27.275 1.00 25.00 H new ATOM 0 HB2 LYS B 170 1.671 15.655 25.322 1.00 25.00 H new ATOM 0 HB3 LYS B 170 3.400 15.385 25.229 1.00 25.00 H new ATOM 0 HG2 LYS B 170 2.585 13.628 26.580 1.00 25.00 H new ATOM 0 HG3 LYS B 170 3.317 14.754 27.706 1.00 25.00 H new ATOM 0 HD2 LYS B 170 0.924 15.777 27.955 1.00 25.00 H new ATOM 0 HD3 LYS B 170 0.355 14.323 27.160 1.00 25.00 H new ATOM 0 HE2 LYS B 170 1.459 12.926 28.877 1.00 25.00 H new ATOM 0 HE3 LYS B 170 2.100 14.360 29.655 1.00 25.00 H new ATOM 0 HZ1 LYS B 170 0.078 13.600 30.746 1.00 25.00 H new ATOM 0 HZ2 LYS B 170 -0.177 15.129 30.052 1.00 25.00 H new ATOM 0 HZ3 LYS B 170 -0.798 13.739 29.299 1.00 25.00 H new ATOM 2134 N VAL B 171 5.232 17.358 25.984 1.00 25.00 N ATOM 2135 CA VAL B 171 6.639 17.495 26.356 1.00 25.00 C ATOM 2136 C VAL B 171 6.835 18.790 27.154 1.00 25.00 C ATOM 2137 O VAL B 171 7.588 18.831 28.126 1.00 25.00 O ATOM 2138 CB VAL B 171 7.566 17.464 25.109 1.00 25.00 C ATOM 2139 CG1 VAL B 171 9.027 17.705 25.492 1.00 25.00 C ATOM 2140 CG2 VAL B 171 7.470 16.115 24.406 1.00 25.00 C ATOM 0 H VAL B 171 5.052 17.394 24.981 1.00 25.00 H new ATOM 0 HA VAL B 171 6.916 16.645 26.980 1.00 25.00 H new ATOM 0 HB VAL B 171 7.233 18.260 24.443 1.00 25.00 H new ATOM 0 HG11 VAL B 171 9.647 17.677 24.596 1.00 25.00 H new ATOM 0 HG12 VAL B 171 9.122 18.681 25.969 1.00 25.00 H new ATOM 0 HG13 VAL B 171 9.354 16.930 26.185 1.00 25.00 H new ATOM 0 HG21 VAL B 171 8.126 16.111 23.535 1.00 25.00 H new ATOM 0 HG22 VAL B 171 7.774 15.325 25.092 1.00 25.00 H new ATOM 0 HG23 VAL B 171 6.442 15.943 24.087 1.00 25.00 H new ATOM 2150 N LYS B 172 6.115 19.847 26.789 1.00 25.00 N ATOM 2151 CA LYS B 172 6.177 21.105 27.550 1.00 25.00 C ATOM 2152 C LYS B 172 5.640 20.901 28.960 1.00 25.00 C ATOM 2153 O LYS B 172 6.141 21.485 29.911 1.00 25.00 O ATOM 2154 CB LYS B 172 5.330 22.204 26.908 1.00 25.00 C ATOM 2155 CG LYS B 172 5.847 22.807 25.619 1.00 25.00 C ATOM 2156 CD LYS B 172 4.807 23.796 25.126 1.00 25.00 C ATOM 2157 CE LYS B 172 5.121 24.347 23.745 1.00 25.00 C ATOM 2158 NZ LYS B 172 3.973 25.208 23.318 1.00 25.00 N ATOM 0 H LYS B 172 5.489 19.866 25.984 1.00 25.00 H new ATOM 0 HA LYS B 172 7.225 21.403 27.562 1.00 25.00 H new ATOM 0 HB2 LYS B 172 4.337 21.798 26.717 1.00 25.00 H new ATOM 0 HB3 LYS B 172 5.212 23.008 27.634 1.00 25.00 H new ATOM 0 HG2 LYS B 172 6.802 23.306 25.786 1.00 25.00 H new ATOM 0 HG3 LYS B 172 6.019 22.030 24.875 1.00 25.00 H new ATOM 0 HD2 LYS B 172 3.832 23.309 25.104 1.00 25.00 H new ATOM 0 HD3 LYS B 172 4.735 24.622 25.833 1.00 25.00 H new ATOM 0 HE2 LYS B 172 6.044 24.926 23.767 1.00 25.00 H new ATOM 0 HE3 LYS B 172 5.272 23.533 23.035 1.00 25.00 H new ATOM 0 HZ1 LYS B 172 4.100 25.488 22.324 1.00 25.00 H new ATOM 0 HZ2 LYS B 172 3.085 24.677 23.418 1.00 25.00 H new ATOM 0 HZ3 LYS B 172 3.936 26.059 23.915 1.00 25.00 H new