USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 800 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 63 HIS :FLIP no HE2:sc= -0.611 X(o=-0.75,f=-0.62) USER MOD Set 1.2: A 72 ASN : amide:sc=-0.00896 X(o=-0.62,f=-0.75) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 138:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.23 K(o=2.5,f=-4.3) USER MOD Set 3.1: A 11 CYS SG : rot -129:sc= -6.57! USER MOD Set 3.2: A 17 HIS : no HD1:sc= -0.86 K(o=-7.9,f=-18!) USER MOD Set 3.3: A 20 MET CE :methyl -179:sc= -0.44 (180deg=-0.405) USER MOD Single : A 3 LYS NZ :NH3+ -119:sc= 0.49 (180deg=0.346) USER MOD Single : A 4 LYS NZ :NH3+ 142:sc= 1.56 (180deg=-0.229) USER MOD Single : A 9 CYS SG : rot 150:sc= -0.0333 USER MOD Single : A 13 MET CE :methyl 167:sc= -0.0355 (180deg=-0.271) USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.42 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 34 TYR OH : rot -96:sc= -1.38 USER MOD Single : A 40 THR OG1 : rot -120:sc= -1.24 USER MOD Single : A 41 GLN : amide:sc= -3.89! C(o=-3.9!,f=-7.7!) USER MOD Single : A 47 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.0018) USER MOD Single : A 51 THR OG1 : rot -66:sc= 0.902 USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00725 F(o=-1.5!,f=-0.0072) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.00509 USER MOD Single : A 64 SER OG : rot 89:sc= -1.81 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0957 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= -0.0422 (180deg=-1.12) USER MOD Single : A 91 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.94) USER MOD Single : A 97 LYS NZ :NH3+ -123:sc= 1.24 (180deg=0.671) USER MOD Single : A 102 MET CE :methyl -175:sc= -1.04 (180deg=-1.22) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.345 K(o=-0.34,f=-4!) USER MOD Single : A 108 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.573 -0.874 -1.804 1.00 0.00 N ATOM 30 CA LYS A 3 8.948 -0.684 -1.297 1.00 0.00 C ATOM 31 C LYS A 3 9.952 -1.579 -2.053 1.00 0.00 C ATOM 32 O LYS A 3 9.574 -2.416 -2.903 1.00 0.00 O ATOM 33 CB LYS A 3 9.028 -0.903 0.254 1.00 0.00 C ATOM 34 CG LYS A 3 8.043 -1.926 0.851 1.00 0.00 C ATOM 35 CD LYS A 3 8.214 -2.072 2.392 1.00 0.00 C ATOM 36 CE LYS A 3 7.454 -3.276 2.968 1.00 0.00 C ATOM 37 NZ LYS A 3 7.712 -3.472 4.426 1.00 0.00 N ATOM 0 HA LYS A 3 9.227 0.352 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.041 -1.218 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.863 0.057 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.021 -1.618 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.195 -2.895 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.274 -2.172 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.864 -1.162 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.385 -3.137 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.744 -4.177 2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.148 -4.404 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.354 -2.729 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.814 -3.420 4.948 1.00 0.00 H new ATOM 51 N LYS A 4 11.242 -1.423 -1.705 1.00 0.00 N ATOM 52 CA LYS A 4 12.349 -2.065 -2.433 1.00 0.00 C ATOM 53 C LYS A 4 13.491 -2.395 -1.439 1.00 0.00 C ATOM 54 O LYS A 4 13.728 -1.665 -0.476 1.00 0.00 O ATOM 55 CB LYS A 4 12.816 -1.104 -3.588 1.00 0.00 C ATOM 56 CG LYS A 4 13.392 -1.761 -4.869 1.00 0.00 C ATOM 57 CD LYS A 4 14.759 -2.436 -4.680 1.00 0.00 C ATOM 58 CE LYS A 4 15.277 -3.098 -5.965 1.00 0.00 C ATOM 59 NZ LYS A 4 15.348 -2.147 -7.105 1.00 0.00 N ATOM 0 H LYS A 4 11.544 -0.852 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 4 12.031 -3.004 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.966 -0.487 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.573 -0.433 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.681 -2.504 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.481 -1.000 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.482 -1.694 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.683 -3.188 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.267 -3.515 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.625 -3.930 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.197 -2.347 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.502 -2.254 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.395 -1.173 -6.742 1.00 0.00 H new ATOM 73 N LEU A 5 14.188 -3.505 -1.688 1.00 0.00 N ATOM 74 CA LEU A 5 15.356 -3.947 -0.916 1.00 0.00 C ATOM 75 C LEU A 5 16.453 -4.333 -1.897 1.00 0.00 C ATOM 76 O LEU A 5 16.189 -4.994 -2.907 1.00 0.00 O ATOM 77 CB LEU A 5 14.988 -5.154 -0.002 1.00 0.00 C ATOM 78 CG LEU A 5 16.148 -5.770 0.884 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.622 -6.276 2.234 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.900 -6.926 0.181 1.00 0.00 C ATOM 0 H LEU A 5 13.952 -4.139 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 5 15.700 -3.141 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.184 -4.841 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.588 -5.947 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 5 16.850 -4.951 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.447 -6.691 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.173 -5.448 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.872 -7.049 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.682 -7.305 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.199 -7.729 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.349 -6.560 -0.742 1.00 0.00 H new ATOM 92 N ILE A 6 17.683 -3.905 -1.619 1.00 0.00 N ATOM 93 CA ILE A 6 18.866 -4.366 -2.345 1.00 0.00 C ATOM 94 C ILE A 6 19.883 -4.909 -1.340 1.00 0.00 C ATOM 95 O ILE A 6 19.790 -4.636 -0.132 1.00 0.00 O ATOM 96 CB ILE A 6 19.512 -3.240 -3.238 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.205 -2.138 -2.377 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.458 -2.626 -4.188 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.888 -1.044 -3.172 1.00 0.00 C ATOM 0 H ILE A 6 17.888 -3.228 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 6 18.555 -5.154 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 6 20.290 -3.706 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.458 -1.682 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.943 -2.613 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.924 -1.851 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.056 -3.404 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.649 -2.190 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.340 -0.326 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.662 -1.482 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.154 -0.537 -3.798 1.00 0.00 H new ATOM 111 N ALA A 7 20.845 -5.680 -1.839 1.00 0.00 N ATOM 112 CA ALA A 7 21.930 -6.230 -1.023 1.00 0.00 C ATOM 113 C ALA A 7 23.183 -6.419 -1.877 1.00 0.00 C ATOM 114 O ALA A 7 23.138 -6.288 -3.108 1.00 0.00 O ATOM 115 CB ALA A 7 21.499 -7.546 -0.340 1.00 0.00 C ATOM 0 H ALA A 7 20.897 -5.943 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 7 22.166 -5.522 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.324 -7.932 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.640 -7.357 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.229 -8.279 -1.100 1.00 0.00 H new ATOM 121 N LEU A 8 24.298 -6.728 -1.213 1.00 0.00 N ATOM 122 CA LEU A 8 25.596 -6.906 -1.860 1.00 0.00 C ATOM 123 C LEU A 8 26.326 -8.030 -1.124 1.00 0.00 C ATOM 124 O LEU A 8 26.536 -7.947 0.086 1.00 0.00 O ATOM 125 CB LEU A 8 26.402 -5.565 -1.832 1.00 0.00 C ATOM 126 CG LEU A 8 27.513 -5.362 -2.923 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.088 -3.926 -2.870 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.651 -6.400 -2.810 1.00 0.00 C ATOM 0 H LEU A 8 24.324 -6.863 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 8 25.480 -7.177 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.691 -4.744 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.872 -5.476 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 8 27.031 -5.514 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.855 -3.813 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.288 -3.207 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.526 -3.745 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.392 -6.214 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.124 -6.317 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.242 -7.403 -2.931 1.00 0.00 H new ATOM 140 N CYS A 9 26.693 -9.078 -1.861 1.00 0.00 N ATOM 141 CA CYS A 9 27.428 -10.222 -1.337 1.00 0.00 C ATOM 142 C CYS A 9 28.815 -10.270 -1.997 1.00 0.00 C ATOM 143 O CYS A 9 28.905 -10.486 -3.201 1.00 0.00 O ATOM 144 CB CYS A 9 26.612 -11.504 -1.597 1.00 0.00 C ATOM 145 SG CYS A 9 24.951 -11.464 -0.881 1.00 0.00 S ATOM 0 H CYS A 9 26.483 -9.154 -2.856 1.00 0.00 H new ATOM 0 HA CYS A 9 27.575 -10.135 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.531 -11.661 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.153 -12.358 -1.190 1.00 0.00 H new ATOM 0 HG CYS A 9 24.148 -12.182 -1.608 1.00 0.00 H new ATOM 151 N ALA A 10 29.898 -10.055 -1.212 1.00 0.00 N ATOM 152 CA ALA A 10 31.283 -9.969 -1.762 1.00 0.00 C ATOM 153 C ALA A 10 32.256 -10.936 -1.047 1.00 0.00 C ATOM 154 O ALA A 10 32.480 -10.824 0.166 1.00 0.00 O ATOM 155 CB ALA A 10 31.813 -8.525 -1.716 1.00 0.00 C ATOM 0 H ALA A 10 29.845 -9.938 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 10 31.228 -10.279 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.824 -8.495 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.164 -7.880 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.827 -8.175 -0.684 1.00 0.00 H new ATOM 161 N CYS A 11 32.812 -11.890 -1.824 1.00 0.00 N ATOM 162 CA CYS A 11 33.823 -12.869 -1.363 1.00 0.00 C ATOM 163 C CYS A 11 35.138 -12.686 -2.156 1.00 0.00 C ATOM 164 O CYS A 11 35.092 -12.404 -3.352 1.00 0.00 O ATOM 165 CB CYS A 11 33.313 -14.315 -1.569 1.00 0.00 C ATOM 166 SG CYS A 11 31.993 -14.824 -0.457 1.00 0.00 S ATOM 0 H CYS A 11 32.567 -12.004 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 11 34.003 -12.697 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.962 -14.417 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 11 34.152 -15.000 -1.450 1.00 0.00 H new ATOM 0 HG CYS A 11 32.307 -15.955 0.101 1.00 0.00 H new ATOM 172 N PRO A 12 36.332 -12.882 -1.517 1.00 0.00 N ATOM 173 CA PRO A 12 37.635 -12.890 -2.235 1.00 0.00 C ATOM 174 C PRO A 12 37.930 -14.249 -2.924 1.00 0.00 C ATOM 175 O PRO A 12 38.899 -14.368 -3.685 1.00 0.00 O ATOM 176 CB PRO A 12 38.642 -12.587 -1.103 1.00 0.00 C ATOM 177 CG PRO A 12 38.027 -13.207 0.117 1.00 0.00 C ATOM 178 CD PRO A 12 36.520 -13.073 -0.049 1.00 0.00 C ATOM 0 HA PRO A 12 37.671 -12.173 -3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.621 -13.016 -1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.785 -11.514 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.316 -14.254 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.365 -12.702 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.999 -13.962 0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.130 -12.227 0.516 1.00 0.00 H new ATOM 186 N MET A 13 37.094 -15.270 -2.634 1.00 0.00 N ATOM 187 CA MET A 13 37.190 -16.603 -3.255 1.00 0.00 C ATOM 188 C MET A 13 36.574 -16.569 -4.664 1.00 0.00 C ATOM 189 O MET A 13 37.284 -16.692 -5.673 1.00 0.00 O ATOM 190 CB MET A 13 36.469 -17.657 -2.367 1.00 0.00 C ATOM 191 CG MET A 13 36.483 -19.096 -2.912 1.00 0.00 C ATOM 192 SD MET A 13 38.142 -19.801 -3.066 1.00 0.00 S ATOM 193 CE MET A 13 38.690 -19.851 -1.357 1.00 0.00 C ATOM 0 H MET A 13 36.332 -15.189 -1.960 1.00 0.00 H new ATOM 0 HA MET A 13 38.240 -16.884 -3.341 1.00 0.00 H new ATOM 0 HB2 MET A 13 36.933 -17.655 -1.381 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.433 -17.347 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 13 35.888 -19.730 -2.254 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.000 -19.109 -3.889 1.00 0.00 H new ATOM 0 HE1 MET A 13 39.586 -20.467 -1.280 1.00 0.00 H new ATOM 0 HE2 MET A 13 38.914 -18.840 -1.017 1.00 0.00 H new ATOM 0 HE3 MET A 13 37.903 -20.277 -0.735 1.00 0.00 H new ATOM 203 N GLY A 14 35.249 -16.362 -4.712 1.00 0.00 N ATOM 204 CA GLY A 14 34.499 -16.376 -5.964 1.00 0.00 C ATOM 205 C GLY A 14 33.013 -16.117 -5.749 1.00 0.00 C ATOM 206 O GLY A 14 32.584 -15.811 -4.628 1.00 0.00 O ATOM 0 H GLY A 14 34.677 -16.182 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.904 -15.620 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.631 -17.341 -6.453 1.00 0.00 H new ATOM 210 N LEU A 15 32.226 -16.260 -6.829 1.00 0.00 N ATOM 211 CA LEU A 15 30.787 -15.934 -6.832 1.00 0.00 C ATOM 212 C LEU A 15 29.906 -17.064 -6.261 1.00 0.00 C ATOM 213 O LEU A 15 28.742 -16.833 -5.972 1.00 0.00 O ATOM 214 CB LEU A 15 30.340 -15.534 -8.262 1.00 0.00 C ATOM 215 CG LEU A 15 30.914 -14.180 -8.788 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.504 -13.918 -10.255 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.482 -13.010 -7.868 1.00 0.00 C ATOM 0 H LEU A 15 32.569 -16.605 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 15 30.646 -15.086 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.633 -16.326 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.252 -15.480 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 15 32.002 -14.249 -8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.922 -12.967 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.883 -14.720 -10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.417 -13.881 -10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.892 -12.075 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.394 -12.947 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.856 -13.183 -6.859 1.00 0.00 H new ATOM 229 N ALA A 16 30.460 -18.269 -6.099 1.00 0.00 N ATOM 230 CA ALA A 16 29.707 -19.429 -5.564 1.00 0.00 C ATOM 231 C ALA A 16 29.121 -19.147 -4.150 1.00 0.00 C ATOM 232 O ALA A 16 27.912 -19.332 -3.905 1.00 0.00 O ATOM 233 CB ALA A 16 30.614 -20.661 -5.545 1.00 0.00 C ATOM 0 H ALA A 16 31.432 -18.477 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 16 28.857 -19.615 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.061 -21.514 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.949 -20.882 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.479 -20.466 -4.911 1.00 0.00 H new ATOM 239 N HIS A 17 29.991 -18.650 -3.250 1.00 0.00 N ATOM 240 CA HIS A 17 29.626 -18.341 -1.850 1.00 0.00 C ATOM 241 C HIS A 17 28.651 -17.153 -1.808 1.00 0.00 C ATOM 242 O HIS A 17 27.680 -17.155 -1.032 1.00 0.00 O ATOM 243 CB HIS A 17 30.910 -18.028 -1.028 1.00 0.00 C ATOM 244 CG HIS A 17 30.747 -18.017 0.478 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.492 -17.209 1.309 1.00 0.00 N ATOM 246 CD2 HIS A 17 29.980 -18.771 1.301 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.180 -17.455 2.565 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.270 -18.403 2.591 1.00 0.00 N ATOM 0 H HIS A 17 30.967 -18.451 -3.471 1.00 0.00 H new ATOM 0 HA HIS A 17 29.131 -19.206 -1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.671 -18.764 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.289 -17.055 -1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.269 -19.525 0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.601 -16.961 3.428 1.00 0.00 H new ATOM 0 HE2 HIS A 17 29.849 -18.800 3.431 1.00 0.00 H new ATOM 257 N THR A 18 28.912 -16.160 -2.684 1.00 0.00 N ATOM 258 CA THR A 18 28.098 -14.942 -2.787 1.00 0.00 C ATOM 259 C THR A 18 26.672 -15.268 -3.282 1.00 0.00 C ATOM 260 O THR A 18 25.727 -14.598 -2.901 1.00 0.00 O ATOM 261 CB THR A 18 28.747 -13.879 -3.742 1.00 0.00 C ATOM 262 OG1 THR A 18 28.697 -14.311 -5.097 1.00 0.00 O ATOM 263 CG2 THR A 18 30.208 -13.577 -3.393 1.00 0.00 C ATOM 0 H THR A 18 29.695 -16.185 -3.338 1.00 0.00 H new ATOM 0 HA THR A 18 28.046 -14.518 -1.784 1.00 0.00 H new ATOM 0 HB THR A 18 28.161 -12.970 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.586 -15.284 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.602 -12.835 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.266 -13.189 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.796 -14.492 -3.466 1.00 0.00 H new ATOM 271 N PHE A 19 26.549 -16.309 -4.140 1.00 0.00 N ATOM 272 CA PHE A 19 25.256 -16.751 -4.707 1.00 0.00 C ATOM 273 C PHE A 19 24.392 -17.485 -3.672 1.00 0.00 C ATOM 274 O PHE A 19 23.168 -17.452 -3.769 1.00 0.00 O ATOM 275 CB PHE A 19 25.449 -17.642 -5.968 1.00 0.00 C ATOM 276 CG PHE A 19 25.926 -16.913 -7.230 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.694 -15.550 -7.412 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.602 -17.602 -8.237 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.125 -14.905 -8.549 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.033 -16.951 -9.377 1.00 0.00 C ATOM 281 CZ PHE A 19 26.795 -15.604 -9.530 1.00 0.00 C ATOM 0 H PHE A 19 27.344 -16.864 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 19 24.731 -15.844 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.168 -18.426 -5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.502 -18.134 -6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.169 -14.993 -6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 19 26.791 -18.659 -8.124 1.00 0.00 H new ATOM 0 HE1 PHE A 19 25.938 -13.849 -8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.556 -17.498 -10.147 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.134 -15.094 -10.420 1.00 0.00 H new ATOM 291 N MET A 20 25.026 -18.177 -2.706 1.00 0.00 N ATOM 292 CA MET A 20 24.279 -18.806 -1.584 1.00 0.00 C ATOM 293 C MET A 20 23.723 -17.728 -0.637 1.00 0.00 C ATOM 294 O MET A 20 22.618 -17.867 -0.104 1.00 0.00 O ATOM 295 CB MET A 20 25.154 -19.824 -0.807 1.00 0.00 C ATOM 296 CG MET A 20 25.592 -21.044 -1.629 1.00 0.00 C ATOM 297 SD MET A 20 26.350 -22.345 -0.624 1.00 0.00 S ATOM 298 CE MET A 20 27.743 -21.486 0.105 1.00 0.00 C ATOM 0 H MET A 20 26.036 -18.317 -2.673 1.00 0.00 H new ATOM 0 HA MET A 20 23.444 -19.359 -2.013 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.043 -19.313 -0.437 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.599 -20.170 0.065 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.726 -21.454 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.301 -20.724 -2.393 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.307 -22.175 0.734 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.389 -21.104 -0.685 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.382 -20.655 0.711 1.00 0.00 H new ATOM 308 N ALA A 21 24.506 -16.652 -0.448 1.00 0.00 N ATOM 309 CA ALA A 21 24.076 -15.468 0.320 1.00 0.00 C ATOM 310 C ALA A 21 22.998 -14.686 -0.444 1.00 0.00 C ATOM 311 O ALA A 21 22.040 -14.195 0.150 1.00 0.00 O ATOM 312 CB ALA A 21 25.277 -14.569 0.616 1.00 0.00 C ATOM 0 H ALA A 21 25.452 -16.577 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 21 23.647 -15.805 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.949 -13.698 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.013 -15.124 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.727 -14.243 -0.322 1.00 0.00 H new ATOM 318 N ALA A 22 23.165 -14.615 -1.779 1.00 0.00 N ATOM 319 CA ALA A 22 22.252 -13.898 -2.678 1.00 0.00 C ATOM 320 C ALA A 22 20.895 -14.596 -2.733 1.00 0.00 C ATOM 321 O ALA A 22 19.874 -13.940 -2.688 1.00 0.00 O ATOM 322 CB ALA A 22 22.850 -13.774 -4.087 1.00 0.00 C ATOM 0 H ALA A 22 23.945 -15.059 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 22 22.110 -12.893 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.153 -13.239 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.791 -13.226 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.031 -14.769 -4.494 1.00 0.00 H new ATOM 328 N GLN A 23 20.909 -15.937 -2.810 1.00 0.00 N ATOM 329 CA GLN A 23 19.683 -16.751 -2.820 1.00 0.00 C ATOM 330 C GLN A 23 18.947 -16.603 -1.480 1.00 0.00 C ATOM 331 O GLN A 23 17.738 -16.403 -1.452 1.00 0.00 O ATOM 332 CB GLN A 23 20.003 -18.248 -3.088 1.00 0.00 C ATOM 333 CG GLN A 23 18.775 -19.193 -3.057 1.00 0.00 C ATOM 334 CD GLN A 23 17.744 -18.900 -4.155 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.812 -17.999 -3.890 1.00 0.00 O flip ATOM 336 NE2 GLN A 23 17.798 -19.475 -5.240 1.00 0.00 N flip ATOM 0 H GLN A 23 21.767 -16.485 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 23 19.044 -16.393 -3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.484 -18.333 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.724 -18.589 -2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.117 -20.223 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.290 -19.112 -2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.528 -20.165 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.113 -19.262 -5.965 1.00 0.00 H new ATOM 345 N ALA A 24 19.714 -16.667 -0.387 1.00 0.00 N ATOM 346 CA ALA A 24 19.177 -16.625 0.978 1.00 0.00 C ATOM 347 C ALA A 24 18.452 -15.285 1.272 1.00 0.00 C ATOM 348 O ALA A 24 17.288 -15.278 1.712 1.00 0.00 O ATOM 349 CB ALA A 24 20.322 -16.885 1.965 1.00 0.00 C ATOM 0 H ALA A 24 20.730 -16.750 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 24 18.422 -17.403 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.937 -16.857 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.756 -17.865 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.087 -16.118 1.845 1.00 0.00 H new ATOM 355 N LEU A 25 19.150 -14.165 1.000 1.00 0.00 N ATOM 356 CA LEU A 25 18.609 -12.796 1.184 1.00 0.00 C ATOM 357 C LEU A 25 17.469 -12.501 0.191 1.00 0.00 C ATOM 358 O LEU A 25 16.580 -11.699 0.494 1.00 0.00 O ATOM 359 CB LEU A 25 19.720 -11.734 1.007 1.00 0.00 C ATOM 360 CG LEU A 25 20.899 -11.781 2.019 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.963 -10.721 1.663 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.413 -11.610 3.476 1.00 0.00 C ATOM 0 H LEU A 25 20.106 -14.180 0.646 1.00 0.00 H new ATOM 0 HA LEU A 25 18.215 -12.744 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.130 -11.835 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.260 -10.748 1.066 1.00 0.00 H new ATOM 0 HG LEU A 25 21.356 -12.768 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.780 -10.770 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.349 -10.915 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.512 -9.729 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.268 -11.649 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.910 -10.649 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.718 -12.412 3.724 1.00 0.00 H new ATOM 374 N GLU A 26 17.533 -13.135 -1.001 1.00 0.00 N ATOM 375 CA GLU A 26 16.485 -13.025 -2.033 1.00 0.00 C ATOM 376 C GLU A 26 15.163 -13.540 -1.471 1.00 0.00 C ATOM 377 O GLU A 26 14.204 -12.781 -1.363 1.00 0.00 O ATOM 378 CB GLU A 26 16.881 -13.824 -3.303 1.00 0.00 C ATOM 379 CG GLU A 26 15.857 -13.815 -4.460 1.00 0.00 C ATOM 380 CD GLU A 26 16.238 -14.776 -5.609 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.092 -14.410 -6.452 1.00 0.00 O ATOM 382 OE2 GLU A 26 15.678 -15.900 -5.679 1.00 0.00 O ATOM 0 H GLU A 26 18.312 -13.735 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 26 16.373 -11.978 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.825 -13.427 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.063 -14.859 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.876 -14.091 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.771 -12.802 -4.854 1.00 0.00 H new ATOM 389 N GLU A 27 15.184 -14.821 -1.040 1.00 0.00 N ATOM 390 CA GLU A 27 14.028 -15.528 -0.458 1.00 0.00 C ATOM 391 C GLU A 27 13.401 -14.704 0.674 1.00 0.00 C ATOM 392 O GLU A 27 12.210 -14.423 0.647 1.00 0.00 O ATOM 393 CB GLU A 27 14.462 -16.924 0.079 1.00 0.00 C ATOM 394 CG GLU A 27 15.045 -17.880 -0.974 1.00 0.00 C ATOM 395 CD GLU A 27 14.037 -18.324 -2.047 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.902 -17.640 -3.086 1.00 0.00 O ATOM 397 OE2 GLU A 27 13.379 -19.371 -1.857 1.00 0.00 O ATOM 0 H GLU A 27 16.022 -15.401 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 27 13.283 -15.665 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.204 -16.778 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.598 -17.402 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.889 -17.393 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.435 -18.764 -0.470 1.00 0.00 H new ATOM 404 N ALA A 28 14.263 -14.262 1.598 1.00 0.00 N ATOM 405 CA ALA A 28 13.887 -13.464 2.781 1.00 0.00 C ATOM 406 C ALA A 28 13.125 -12.177 2.397 1.00 0.00 C ATOM 407 O ALA A 28 12.056 -11.884 2.947 1.00 0.00 O ATOM 408 CB ALA A 28 15.155 -13.118 3.567 1.00 0.00 C ATOM 0 H ALA A 28 15.264 -14.451 1.547 1.00 0.00 H new ATOM 0 HA ALA A 28 13.212 -14.058 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.890 -12.528 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.649 -14.037 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.830 -12.543 2.933 1.00 0.00 H new ATOM 414 N ALA A 29 13.697 -11.430 1.444 1.00 0.00 N ATOM 415 CA ALA A 29 13.087 -10.201 0.897 1.00 0.00 C ATOM 416 C ALA A 29 11.772 -10.464 0.119 1.00 0.00 C ATOM 417 O ALA A 29 10.873 -9.611 0.110 1.00 0.00 O ATOM 418 CB ALA A 29 14.100 -9.480 0.007 1.00 0.00 C ATOM 0 H ALA A 29 14.599 -11.658 1.026 1.00 0.00 H new ATOM 0 HA ALA A 29 12.817 -9.571 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.649 -8.573 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.979 -9.218 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.394 -10.135 -0.813 1.00 0.00 H new ATOM 424 N VAL A 30 11.652 -11.654 -0.497 1.00 0.00 N ATOM 425 CA VAL A 30 10.455 -12.034 -1.283 1.00 0.00 C ATOM 426 C VAL A 30 9.277 -12.309 -0.321 1.00 0.00 C ATOM 427 O VAL A 30 8.123 -11.949 -0.597 1.00 0.00 O ATOM 428 CB VAL A 30 10.760 -13.294 -2.192 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.489 -13.868 -2.849 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.812 -12.962 -3.277 1.00 0.00 C ATOM 0 H VAL A 30 12.372 -12.376 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 30 10.182 -11.213 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 30 11.164 -14.059 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.754 -14.730 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.786 -14.175 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.028 -13.105 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.000 -13.847 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.439 -12.159 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.740 -12.646 -2.800 1.00 0.00 H new ATOM 440 N GLU A 31 9.619 -12.903 0.831 1.00 0.00 N ATOM 441 CA GLU A 31 8.675 -13.216 1.922 1.00 0.00 C ATOM 442 C GLU A 31 8.220 -11.926 2.641 1.00 0.00 C ATOM 443 O GLU A 31 7.093 -11.848 3.145 1.00 0.00 O ATOM 444 CB GLU A 31 9.379 -14.173 2.913 1.00 0.00 C ATOM 445 CG GLU A 31 9.883 -15.479 2.269 1.00 0.00 C ATOM 446 CD GLU A 31 8.771 -16.489 1.952 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.342 -17.214 2.872 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.323 -16.556 0.784 1.00 0.00 O ATOM 0 H GLU A 31 10.577 -13.186 1.038 1.00 0.00 H new ATOM 0 HA GLU A 31 7.784 -13.693 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.223 -13.654 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.687 -14.420 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.413 -15.237 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.605 -15.947 2.938 1.00 0.00 H new ATOM 455 N ALA A 32 9.122 -10.929 2.682 1.00 0.00 N ATOM 456 CA ALA A 32 8.842 -9.591 3.244 1.00 0.00 C ATOM 457 C ALA A 32 7.916 -8.766 2.318 1.00 0.00 C ATOM 458 O ALA A 32 7.252 -7.826 2.768 1.00 0.00 O ATOM 459 CB ALA A 32 10.161 -8.867 3.518 1.00 0.00 C ATOM 0 H ALA A 32 10.072 -11.027 2.324 1.00 0.00 H new ATOM 0 HA ALA A 32 8.307 -9.710 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.955 -7.880 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.751 -9.444 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.718 -8.761 2.587 1.00 0.00 H new ATOM 465 N GLY A 33 7.901 -9.117 1.017 1.00 0.00 N ATOM 466 CA GLY A 33 6.868 -8.640 0.083 1.00 0.00 C ATOM 467 C GLY A 33 7.222 -7.358 -0.670 1.00 0.00 C ATOM 468 O GLY A 33 6.323 -6.640 -1.119 1.00 0.00 O ATOM 0 H GLY A 33 8.595 -9.731 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.665 -9.427 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.945 -8.474 0.639 1.00 0.00 H new ATOM 472 N TYR A 34 8.522 -7.062 -0.801 1.00 0.00 N ATOM 473 CA TYR A 34 9.027 -5.980 -1.685 1.00 0.00 C ATOM 474 C TYR A 34 9.940 -6.548 -2.777 1.00 0.00 C ATOM 475 O TYR A 34 10.198 -7.761 -2.816 1.00 0.00 O ATOM 476 CB TYR A 34 9.750 -4.855 -0.883 1.00 0.00 C ATOM 477 CG TYR A 34 10.608 -5.262 0.325 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.300 -6.468 0.395 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.690 -4.420 1.430 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.025 -6.802 1.512 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.402 -4.758 2.540 1.00 0.00 C ATOM 482 CZ TYR A 34 12.070 -5.947 2.582 1.00 0.00 C ATOM 483 OH TYR A 34 12.766 -6.300 3.713 1.00 0.00 O ATOM 0 H TYR A 34 9.259 -7.560 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 34 8.160 -5.525 -2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.389 -4.310 -1.577 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.991 -4.156 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.266 -7.151 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.174 -3.471 1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.560 -7.739 1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.438 -4.087 3.385 1.00 0.00 H new ATOM 0 HH TYR A 34 12.150 -6.690 4.368 1.00 0.00 H new ATOM 493 N GLU A 35 10.421 -5.651 -3.662 1.00 0.00 N ATOM 494 CA GLU A 35 11.345 -6.031 -4.748 1.00 0.00 C ATOM 495 C GLU A 35 12.748 -6.286 -4.162 1.00 0.00 C ATOM 496 O GLU A 35 13.124 -5.653 -3.176 1.00 0.00 O ATOM 497 CB GLU A 35 11.384 -4.907 -5.823 1.00 0.00 C ATOM 498 CG GLU A 35 12.260 -5.206 -7.061 1.00 0.00 C ATOM 499 CD GLU A 35 12.163 -4.124 -8.153 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.659 -3.001 -7.937 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.592 -4.395 -9.234 1.00 0.00 O ATOM 0 H GLU A 35 10.184 -4.659 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 35 10.998 -6.947 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.365 -4.712 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.746 -3.992 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.299 -5.303 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.964 -6.166 -7.484 1.00 0.00 H new ATOM 508 N VAL A 36 13.506 -7.220 -4.756 1.00 0.00 N ATOM 509 CA VAL A 36 14.873 -7.542 -4.307 1.00 0.00 C ATOM 510 C VAL A 36 15.856 -7.459 -5.493 1.00 0.00 C ATOM 511 O VAL A 36 15.514 -7.854 -6.618 1.00 0.00 O ATOM 512 CB VAL A 36 14.942 -8.956 -3.605 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.586 -10.124 -4.557 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.316 -9.184 -2.928 1.00 0.00 C ATOM 0 H VAL A 36 13.194 -7.771 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 36 15.165 -6.803 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 36 14.176 -8.948 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.652 -11.068 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.571 -9.991 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.284 -10.137 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.330 -10.166 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.105 -9.132 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.482 -8.415 -2.173 1.00 0.00 H new ATOM 524 N LYS A 37 17.054 -6.899 -5.243 1.00 0.00 N ATOM 525 CA LYS A 37 18.154 -6.872 -6.226 1.00 0.00 C ATOM 526 C LYS A 37 19.492 -6.989 -5.489 1.00 0.00 C ATOM 527 O LYS A 37 19.893 -6.069 -4.780 1.00 0.00 O ATOM 528 CB LYS A 37 18.137 -5.568 -7.066 1.00 0.00 C ATOM 529 CG LYS A 37 19.212 -5.536 -8.179 1.00 0.00 C ATOM 530 CD LYS A 37 18.915 -6.510 -9.323 1.00 0.00 C ATOM 531 CE LYS A 37 20.056 -6.588 -10.339 1.00 0.00 C ATOM 532 NZ LYS A 37 19.674 -7.398 -11.528 1.00 0.00 N ATOM 0 H LYS A 37 17.287 -6.453 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 37 18.022 -7.712 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.153 -5.450 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.287 -4.716 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.283 -4.525 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.183 -5.777 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.731 -7.503 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.001 -6.201 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.331 -5.582 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.936 -7.026 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.017 -6.930 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.099 -8.344 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.639 -7.486 -11.570 1.00 0.00 H new ATOM 546 N ILE A 38 20.174 -8.130 -5.637 1.00 0.00 N ATOM 547 CA ILE A 38 21.438 -8.401 -4.928 1.00 0.00 C ATOM 548 C ILE A 38 22.613 -8.523 -5.908 1.00 0.00 C ATOM 549 O ILE A 38 22.678 -9.483 -6.688 1.00 0.00 O ATOM 550 CB ILE A 38 21.291 -9.714 -4.093 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.025 -9.610 -3.182 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.567 -10.014 -3.256 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.570 -10.901 -2.572 1.00 0.00 C ATOM 0 H ILE A 38 19.871 -8.890 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 38 21.649 -7.564 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 38 21.168 -10.551 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.231 -8.901 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.206 -9.196 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.423 -10.935 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.421 -10.128 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.752 -9.190 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.687 -10.722 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.326 -11.611 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.366 -11.310 -1.950 1.00 0.00 H new ATOM 565 N GLU A 39 23.523 -7.539 -5.860 1.00 0.00 N ATOM 566 CA GLU A 39 24.819 -7.598 -6.555 1.00 0.00 C ATOM 567 C GLU A 39 25.740 -8.574 -5.820 1.00 0.00 C ATOM 568 O GLU A 39 25.675 -8.703 -4.596 1.00 0.00 O ATOM 569 CB GLU A 39 25.444 -6.182 -6.604 1.00 0.00 C ATOM 570 CG GLU A 39 26.854 -6.068 -7.211 1.00 0.00 C ATOM 571 CD GLU A 39 27.389 -4.623 -7.177 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.872 -3.781 -7.933 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.315 -4.329 -6.400 1.00 0.00 O ATOM 0 H GLU A 39 23.381 -6.676 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 39 24.680 -7.949 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.776 -5.535 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.479 -5.790 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.536 -6.719 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.833 -6.422 -8.242 1.00 0.00 H new ATOM 580 N THR A 40 26.575 -9.273 -6.583 1.00 0.00 N ATOM 581 CA THR A 40 27.523 -10.252 -6.060 1.00 0.00 C ATOM 582 C THR A 40 28.911 -9.954 -6.635 1.00 0.00 C ATOM 583 O THR A 40 29.107 -10.033 -7.845 1.00 0.00 O ATOM 584 CB THR A 40 27.067 -11.706 -6.412 1.00 0.00 C ATOM 585 OG1 THR A 40 26.663 -11.779 -7.785 1.00 0.00 O ATOM 586 CG2 THR A 40 25.912 -12.184 -5.516 1.00 0.00 C ATOM 0 H THR A 40 26.613 -9.174 -7.597 1.00 0.00 H new ATOM 0 HA THR A 40 27.562 -10.179 -4.973 1.00 0.00 H new ATOM 0 HB THR A 40 27.921 -12.360 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.726 -12.062 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.629 -13.198 -5.797 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.231 -12.172 -4.474 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.056 -11.521 -5.641 1.00 0.00 H new ATOM 594 N GLN A 41 29.854 -9.556 -5.769 1.00 0.00 N ATOM 595 CA GLN A 41 31.235 -9.245 -6.167 1.00 0.00 C ATOM 596 C GLN A 41 32.180 -10.377 -5.735 1.00 0.00 C ATOM 597 O GLN A 41 31.986 -10.994 -4.682 1.00 0.00 O ATOM 598 CB GLN A 41 31.666 -7.880 -5.565 1.00 0.00 C ATOM 599 CG GLN A 41 30.779 -6.710 -6.030 1.00 0.00 C ATOM 600 CD GLN A 41 31.272 -5.330 -5.599 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.888 -4.796 -4.572 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.160 -4.757 -6.365 1.00 0.00 N ATOM 0 H GLN A 41 29.680 -9.440 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 41 31.289 -9.165 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.634 -7.943 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.700 -7.677 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.709 -6.734 -7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.771 -6.859 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.470 -5.218 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.544 -3.848 -6.108 1.00 0.00 H new ATOM 611 N GLY A 42 33.181 -10.651 -6.576 1.00 0.00 N ATOM 612 CA GLY A 42 34.164 -11.694 -6.318 1.00 0.00 C ATOM 613 C GLY A 42 35.409 -11.523 -7.170 1.00 0.00 C ATOM 614 O GLY A 42 35.380 -10.800 -8.175 1.00 0.00 O ATOM 0 H GLY A 42 33.328 -10.153 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.441 -11.679 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.719 -12.669 -6.517 1.00 0.00 H new ATOM 618 N ALA A 43 36.503 -12.201 -6.772 1.00 0.00 N ATOM 619 CA ALA A 43 37.756 -12.249 -7.557 1.00 0.00 C ATOM 620 C ALA A 43 37.528 -12.946 -8.920 1.00 0.00 C ATOM 621 O ALA A 43 38.278 -12.730 -9.878 1.00 0.00 O ATOM 622 CB ALA A 43 38.855 -12.958 -6.747 1.00 0.00 C ATOM 0 H ALA A 43 36.545 -12.730 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 43 38.081 -11.229 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.775 -12.990 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 43 39.033 -12.413 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.537 -13.975 -6.515 1.00 0.00 H new ATOM 628 N ASP A 44 36.480 -13.790 -8.973 1.00 0.00 N ATOM 629 CA ASP A 44 36.028 -14.486 -10.197 1.00 0.00 C ATOM 630 C ASP A 44 35.316 -13.509 -11.170 1.00 0.00 C ATOM 631 O ASP A 44 35.446 -13.634 -12.397 1.00 0.00 O ATOM 632 CB ASP A 44 35.085 -15.652 -9.789 1.00 0.00 C ATOM 633 CG ASP A 44 34.486 -16.444 -10.973 1.00 0.00 C ATOM 634 OD1 ASP A 44 35.263 -16.983 -11.797 1.00 0.00 O ATOM 635 OD2 ASP A 44 33.236 -16.538 -11.081 1.00 0.00 O ATOM 0 H ASP A 44 35.913 -14.012 -8.154 1.00 0.00 H new ATOM 0 HA ASP A 44 36.894 -14.885 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 44 35.638 -16.342 -9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.269 -15.248 -9.190 1.00 0.00 H new ATOM 640 N GLY A 45 34.583 -12.533 -10.600 1.00 0.00 N ATOM 641 CA GLY A 45 33.825 -11.545 -11.383 1.00 0.00 C ATOM 642 C GLY A 45 32.733 -10.873 -10.564 1.00 0.00 C ATOM 643 O GLY A 45 32.644 -11.093 -9.353 1.00 0.00 O ATOM 0 H GLY A 45 34.501 -12.410 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.508 -10.786 -11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.378 -12.036 -12.247 1.00 0.00 H new ATOM 647 N ILE A 46 31.902 -10.032 -11.217 1.00 0.00 N ATOM 648 CA ILE A 46 30.719 -9.395 -10.584 1.00 0.00 C ATOM 649 C ILE A 46 29.461 -9.750 -11.394 1.00 0.00 C ATOM 650 O ILE A 46 29.469 -9.686 -12.632 1.00 0.00 O ATOM 651 CB ILE A 46 30.874 -7.825 -10.450 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.162 -7.482 -9.625 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.615 -7.181 -9.797 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.532 -6.014 -9.564 1.00 0.00 C ATOM 0 H ILE A 46 32.029 -9.774 -12.196 1.00 0.00 H new ATOM 0 HA ILE A 46 30.630 -9.783 -9.569 1.00 0.00 H new ATOM 0 HB ILE A 46 30.972 -7.407 -11.452 1.00 0.00 H new ATOM 0 HG12 ILE A 46 32.026 -7.846 -8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.001 -8.032 -10.051 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.756 -6.103 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.739 -7.390 -10.412 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.467 -7.599 -8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.437 -5.891 -8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.708 -5.641 -10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.718 -5.452 -9.106 1.00 0.00 H new ATOM 666 N GLN A 47 28.394 -10.124 -10.680 1.00 0.00 N ATOM 667 CA GLN A 47 27.113 -10.541 -11.263 1.00 0.00 C ATOM 668 C GLN A 47 25.969 -9.732 -10.631 1.00 0.00 C ATOM 669 O GLN A 47 26.073 -9.320 -9.472 1.00 0.00 O ATOM 670 CB GLN A 47 26.906 -12.058 -11.002 1.00 0.00 C ATOM 671 CG GLN A 47 25.650 -12.686 -11.651 1.00 0.00 C ATOM 672 CD GLN A 47 25.634 -12.644 -13.184 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.572 -12.539 -13.795 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.796 -12.786 -13.823 1.00 0.00 N ATOM 0 H GLN A 47 28.396 -10.146 -9.660 1.00 0.00 H new ATOM 0 HA GLN A 47 27.118 -10.358 -12.338 1.00 0.00 H new ATOM 0 HB2 GLN A 47 27.785 -12.593 -11.363 1.00 0.00 H new ATOM 0 HB3 GLN A 47 26.855 -12.219 -9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.571 -13.724 -11.328 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.767 -12.168 -11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.663 -12.871 -13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.818 -12.810 -14.842 1.00 0.00 H new ATOM 683 N ASN A 48 24.894 -9.513 -11.416 1.00 0.00 N ATOM 684 CA ASN A 48 23.631 -8.881 -10.956 1.00 0.00 C ATOM 685 C ASN A 48 23.893 -7.432 -10.466 1.00 0.00 C ATOM 686 O ASN A 48 23.299 -6.982 -9.472 1.00 0.00 O ATOM 687 CB ASN A 48 22.937 -9.771 -9.857 1.00 0.00 C ATOM 688 CG ASN A 48 21.416 -9.902 -10.014 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.888 -9.875 -11.125 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.703 -10.049 -8.902 1.00 0.00 N ATOM 0 H ASN A 48 24.874 -9.772 -12.402 1.00 0.00 H new ATOM 0 HA ASN A 48 22.940 -8.813 -11.796 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.379 -10.767 -9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.154 -9.349 -8.875 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.689 -10.143 -8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.170 -10.068 -7.995 1.00 0.00 H new ATOM 697 N ARG A 49 24.774 -6.723 -11.220 1.00 0.00 N ATOM 698 CA ARG A 49 25.249 -5.351 -10.928 1.00 0.00 C ATOM 699 C ARG A 49 24.093 -4.382 -10.585 1.00 0.00 C ATOM 700 O ARG A 49 23.155 -4.202 -11.377 1.00 0.00 O ATOM 701 CB ARG A 49 26.058 -4.816 -12.154 1.00 0.00 C ATOM 702 CG ARG A 49 26.490 -3.331 -12.079 1.00 0.00 C ATOM 703 CD ARG A 49 27.536 -3.044 -10.988 1.00 0.00 C ATOM 704 NE ARG A 49 28.918 -3.284 -11.422 1.00 0.00 N ATOM 705 CZ ARG A 49 29.942 -3.475 -10.585 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.721 -3.718 -9.295 1.00 0.00 N ATOM 707 NH2 ARG A 49 31.184 -3.456 -11.047 1.00 0.00 N ATOM 0 H ARG A 49 25.183 -7.105 -12.073 1.00 0.00 H new ATOM 0 HA ARG A 49 25.888 -5.400 -10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.951 -5.429 -12.272 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.456 -4.955 -13.052 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.895 -3.031 -13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.610 -2.715 -11.897 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.439 -2.007 -10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.323 -3.667 -10.119 1.00 0.00 H new ATOM 0 HE ARG A 49 29.108 -3.306 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.766 -3.759 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.507 -3.863 -8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.357 -3.296 -12.039 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.967 -3.602 -10.410 1.00 0.00 H new ATOM 721 N LEU A 50 24.195 -3.786 -9.390 1.00 0.00 N ATOM 722 CA LEU A 50 23.279 -2.748 -8.899 1.00 0.00 C ATOM 723 C LEU A 50 23.457 -1.438 -9.685 1.00 0.00 C ATOM 724 O LEU A 50 24.585 -0.981 -9.930 1.00 0.00 O ATOM 725 CB LEU A 50 23.515 -2.517 -7.374 1.00 0.00 C ATOM 726 CG LEU A 50 22.930 -3.618 -6.432 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.515 -3.534 -5.006 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.403 -3.535 -6.381 1.00 0.00 C ATOM 0 H LEU A 50 24.932 -4.017 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 50 22.254 -3.085 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.588 -2.443 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.079 -1.557 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 50 23.220 -4.581 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.079 -4.318 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.596 -3.664 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.283 -2.560 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 50 21.018 -4.311 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.104 -2.557 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.997 -3.678 -7.382 1.00 0.00 H new ATOM 740 N THR A 51 22.323 -0.860 -10.087 1.00 0.00 N ATOM 741 CA THR A 51 22.269 0.441 -10.754 1.00 0.00 C ATOM 742 C THR A 51 22.085 1.540 -9.697 1.00 0.00 C ATOM 743 O THR A 51 21.679 1.250 -8.562 1.00 0.00 O ATOM 744 CB THR A 51 21.089 0.492 -11.789 1.00 0.00 C ATOM 745 OG1 THR A 51 19.821 0.425 -11.107 1.00 0.00 O ATOM 746 CG2 THR A 51 21.166 -0.662 -12.806 1.00 0.00 C ATOM 0 H THR A 51 21.406 -1.288 -9.957 1.00 0.00 H new ATOM 0 HA THR A 51 23.201 0.599 -11.296 1.00 0.00 H new ATOM 0 HB THR A 51 21.178 1.436 -12.327 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.725 -0.452 -10.680 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.331 -0.589 -13.503 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.105 -0.600 -13.356 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.116 -1.615 -12.279 1.00 0.00 H new ATOM 754 N ALA A 52 22.355 2.800 -10.076 1.00 0.00 N ATOM 755 CA ALA A 52 22.088 3.965 -9.208 1.00 0.00 C ATOM 756 C ALA A 52 20.583 4.064 -8.865 1.00 0.00 C ATOM 757 O ALA A 52 20.215 4.596 -7.818 1.00 0.00 O ATOM 758 CB ALA A 52 22.581 5.251 -9.886 1.00 0.00 C ATOM 0 H ALA A 52 22.760 3.041 -10.981 1.00 0.00 H new ATOM 0 HA ALA A 52 22.633 3.834 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.380 6.104 -9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.653 5.178 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.061 5.385 -10.834 1.00 0.00 H new ATOM 764 N GLN A 53 19.734 3.516 -9.768 1.00 0.00 N ATOM 765 CA GLN A 53 18.277 3.456 -9.588 1.00 0.00 C ATOM 766 C GLN A 53 17.909 2.460 -8.476 1.00 0.00 C ATOM 767 O GLN A 53 17.069 2.768 -7.647 1.00 0.00 O ATOM 768 CB GLN A 53 17.567 3.069 -10.915 1.00 0.00 C ATOM 769 CG GLN A 53 16.021 3.056 -10.845 1.00 0.00 C ATOM 770 CD GLN A 53 15.409 4.425 -10.534 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.235 4.740 -9.257 1.00 0.00 O flip ATOM 772 NE2 GLN A 53 15.098 5.195 -11.441 1.00 0.00 N flip ATOM 0 H GLN A 53 20.051 3.103 -10.645 1.00 0.00 H new ATOM 0 HA GLN A 53 17.935 4.448 -9.294 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.875 3.768 -11.693 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.911 2.081 -11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.626 2.698 -11.796 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.706 2.345 -10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.244 4.923 -12.413 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.694 6.105 -11.221 1.00 0.00 H new ATOM 781 N ASP A 54 18.565 1.279 -8.464 1.00 0.00 N ATOM 782 CA ASP A 54 18.368 0.260 -7.402 1.00 0.00 C ATOM 783 C ASP A 54 18.693 0.847 -6.020 1.00 0.00 C ATOM 784 O ASP A 54 17.947 0.640 -5.060 1.00 0.00 O ATOM 785 CB ASP A 54 19.242 -1.005 -7.641 1.00 0.00 C ATOM 786 CG ASP A 54 18.775 -1.884 -8.815 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.612 -2.342 -8.793 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.563 -2.146 -9.745 1.00 0.00 O ATOM 0 H ASP A 54 19.238 1.004 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 54 17.319 -0.036 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.270 -0.693 -7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.247 -1.606 -6.732 1.00 0.00 H new ATOM 793 N ILE A 55 19.804 1.605 -5.960 1.00 0.00 N ATOM 794 CA ILE A 55 20.283 2.254 -4.718 1.00 0.00 C ATOM 795 C ILE A 55 19.337 3.415 -4.308 1.00 0.00 C ATOM 796 O ILE A 55 19.203 3.727 -3.125 1.00 0.00 O ATOM 797 CB ILE A 55 21.770 2.785 -4.876 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.684 1.692 -5.526 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.362 3.237 -3.520 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.103 2.147 -5.866 1.00 0.00 C ATOM 0 H ILE A 55 20.397 1.787 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 55 20.278 1.501 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 55 21.736 3.653 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.745 0.842 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.205 1.337 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.381 3.594 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.753 4.041 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.370 2.395 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.654 1.318 -6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.060 2.975 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.608 2.472 -4.957 1.00 0.00 H new ATOM 812 N ALA A 56 18.666 4.020 -5.310 1.00 0.00 N ATOM 813 CA ALA A 56 17.715 5.136 -5.111 1.00 0.00 C ATOM 814 C ALA A 56 16.347 4.639 -4.579 1.00 0.00 C ATOM 815 O ALA A 56 15.744 5.273 -3.707 1.00 0.00 O ATOM 816 CB ALA A 56 17.534 5.907 -6.428 1.00 0.00 C ATOM 0 H ALA A 56 18.769 3.747 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 56 18.132 5.803 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.833 6.728 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.495 6.306 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.145 5.235 -7.193 1.00 0.00 H new ATOM 822 N GLU A 57 15.879 3.497 -5.120 1.00 0.00 N ATOM 823 CA GLU A 57 14.591 2.870 -4.741 1.00 0.00 C ATOM 824 C GLU A 57 14.689 2.192 -3.367 1.00 0.00 C ATOM 825 O GLU A 57 13.694 2.102 -2.637 1.00 0.00 O ATOM 826 CB GLU A 57 14.187 1.787 -5.777 1.00 0.00 C ATOM 827 CG GLU A 57 14.018 2.286 -7.217 1.00 0.00 C ATOM 828 CD GLU A 57 13.799 1.139 -8.224 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.734 0.322 -8.408 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.700 1.032 -8.816 1.00 0.00 O ATOM 0 H GLU A 57 16.385 2.978 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 57 13.845 3.664 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.942 1.001 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.250 1.332 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.171 2.970 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.902 2.854 -7.506 1.00 0.00 H new ATOM 837 N ALA A 58 15.904 1.685 -3.076 1.00 0.00 N ATOM 838 CA ALA A 58 16.202 0.833 -1.913 1.00 0.00 C ATOM 839 C ALA A 58 15.740 1.449 -0.578 1.00 0.00 C ATOM 840 O ALA A 58 16.394 2.341 -0.034 1.00 0.00 O ATOM 841 CB ALA A 58 17.705 0.525 -1.871 1.00 0.00 C ATOM 0 H ALA A 58 16.722 1.862 -3.658 1.00 0.00 H new ATOM 0 HA ALA A 58 15.636 -0.090 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.923 -0.106 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.996 0.005 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.265 1.457 -1.790 1.00 0.00 H new ATOM 847 N THR A 59 14.576 0.989 -0.100 1.00 0.00 N ATOM 848 CA THR A 59 14.095 1.256 1.264 1.00 0.00 C ATOM 849 C THR A 59 15.084 0.637 2.282 1.00 0.00 C ATOM 850 O THR A 59 15.325 1.185 3.362 1.00 0.00 O ATOM 851 CB THR A 59 12.662 0.650 1.463 1.00 0.00 C ATOM 852 OG1 THR A 59 11.798 1.092 0.400 1.00 0.00 O ATOM 853 CG2 THR A 59 12.039 1.023 2.825 1.00 0.00 C ATOM 0 H THR A 59 13.937 0.417 -0.652 1.00 0.00 H new ATOM 0 HA THR A 59 14.037 2.333 1.423 1.00 0.00 H new ATOM 0 HB THR A 59 12.767 -0.435 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.876 1.143 0.728 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.048 0.576 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.673 0.650 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.955 2.107 2.902 1.00 0.00 H new ATOM 861 N ILE A 60 15.662 -0.518 1.886 1.00 0.00 N ATOM 862 CA ILE A 60 16.633 -1.282 2.697 1.00 0.00 C ATOM 863 C ILE A 60 17.861 -1.673 1.841 1.00 0.00 C ATOM 864 O ILE A 60 17.713 -2.013 0.663 1.00 0.00 O ATOM 865 CB ILE A 60 15.952 -2.585 3.278 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.735 -2.232 4.198 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.969 -3.472 4.029 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.954 -3.418 4.746 1.00 0.00 C ATOM 0 H ILE A 60 15.465 -0.950 0.984 1.00 0.00 H new ATOM 0 HA ILE A 60 16.964 -0.652 3.523 1.00 0.00 H new ATOM 0 HB ILE A 60 15.577 -3.156 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.098 -1.641 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.050 -1.598 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.464 -4.358 4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.762 -3.775 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.399 -2.910 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.135 -3.058 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.551 -4.002 3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.616 -4.045 5.344 1.00 0.00 H new ATOM 880 N ILE A 61 19.075 -1.599 2.444 1.00 0.00 N ATOM 881 CA ILE A 61 20.336 -2.096 1.830 1.00 0.00 C ATOM 882 C ILE A 61 21.066 -2.984 2.854 1.00 0.00 C ATOM 883 O ILE A 61 21.079 -2.660 4.044 1.00 0.00 O ATOM 884 CB ILE A 61 21.306 -0.926 1.390 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.532 0.180 0.605 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.501 -1.474 0.552 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.357 1.383 0.193 1.00 0.00 C ATOM 0 H ILE A 61 19.208 -1.193 3.370 1.00 0.00 H new ATOM 0 HA ILE A 61 20.067 -2.653 0.933 1.00 0.00 H new ATOM 0 HB ILE A 61 21.712 -0.472 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.101 -0.268 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.701 0.524 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.152 -0.649 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.066 -2.190 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.122 -1.968 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.726 2.090 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.766 1.865 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.173 1.060 -0.454 1.00 0.00 H new ATOM 899 N ILE A 62 21.645 -4.115 2.400 1.00 0.00 N ATOM 900 CA ILE A 62 22.498 -4.998 3.242 1.00 0.00 C ATOM 901 C ILE A 62 23.855 -5.222 2.525 1.00 0.00 C ATOM 902 O ILE A 62 23.864 -5.569 1.352 1.00 0.00 O ATOM 903 CB ILE A 62 21.833 -6.420 3.529 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.384 -6.324 4.138 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.727 -7.268 4.462 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.256 -6.153 3.132 1.00 0.00 C ATOM 0 H ILE A 62 21.538 -4.447 1.441 1.00 0.00 H new ATOM 0 HA ILE A 62 22.628 -4.497 4.202 1.00 0.00 H new ATOM 0 HB ILE A 62 21.743 -6.904 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.194 -7.226 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.357 -5.485 4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.252 -8.232 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.698 -7.424 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.862 -6.747 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.304 -6.098 3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.410 -5.235 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.245 -7.003 2.450 1.00 0.00 H new ATOM 918 N HIS A 63 25.001 -5.006 3.213 1.00 0.00 N ATOM 919 CA HIS A 63 26.334 -5.411 2.688 1.00 0.00 C ATOM 920 C HIS A 63 26.803 -6.682 3.408 1.00 0.00 C ATOM 921 O HIS A 63 27.466 -6.626 4.444 1.00 0.00 O ATOM 922 CB HIS A 63 27.397 -4.270 2.779 1.00 0.00 C ATOM 923 CG HIS A 63 27.370 -3.292 1.621 1.00 0.00 C ATOM 924 ND1 HIS A 63 26.394 -3.040 0.706 1.00 0.00 N flip ATOM 925 CD2 HIS A 63 28.443 -2.483 1.348 1.00 0.00 C flip ATOM 926 CE1 HIS A 63 26.872 -2.072 -0.133 1.00 0.00 C flip ATOM 927 NE2 HIS A 63 28.104 -1.772 0.293 1.00 0.00 N flip ATOM 0 H HIS A 63 25.033 -4.556 4.128 1.00 0.00 H new ATOM 0 HA HIS A 63 26.224 -5.621 1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.242 -3.719 3.707 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.389 -4.718 2.836 1.00 0.00 H new ATOM 0 HD1 HIS A 63 25.479 -3.488 0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 63 29.377 -2.438 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 63 26.356 -1.635 -0.975 1.00 0.00 H new ATOM 935 N SER A 64 26.380 -7.823 2.858 1.00 0.00 N ATOM 936 CA SER A 64 26.772 -9.159 3.308 1.00 0.00 C ATOM 937 C SER A 64 28.123 -9.533 2.693 1.00 0.00 C ATOM 938 O SER A 64 28.200 -10.190 1.648 1.00 0.00 O ATOM 939 CB SER A 64 25.689 -10.148 2.877 1.00 0.00 C ATOM 940 OG SER A 64 24.425 -9.730 3.330 1.00 0.00 O ATOM 0 H SER A 64 25.738 -7.842 2.066 1.00 0.00 H new ATOM 0 HA SER A 64 26.875 -9.183 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.681 -10.235 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.914 -11.138 3.275 1.00 0.00 H new ATOM 0 HG SER A 64 24.015 -9.143 2.661 1.00 0.00 H new ATOM 946 N VAL A 65 29.200 -9.063 3.310 1.00 0.00 N ATOM 947 CA VAL A 65 30.545 -9.153 2.719 1.00 0.00 C ATOM 948 C VAL A 65 31.549 -9.787 3.688 1.00 0.00 C ATOM 949 O VAL A 65 31.282 -9.950 4.883 1.00 0.00 O ATOM 950 CB VAL A 65 31.015 -7.721 2.254 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.098 -7.175 1.129 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.062 -6.726 3.445 1.00 0.00 C ATOM 0 H VAL A 65 29.176 -8.612 4.225 1.00 0.00 H new ATOM 0 HA VAL A 65 30.499 -9.807 1.848 1.00 0.00 H new ATOM 0 HB VAL A 65 32.026 -7.821 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.443 -6.186 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.131 -7.849 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.074 -7.105 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.390 -5.749 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.069 -6.638 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.761 -7.092 4.197 1.00 0.00 H new ATOM 962 N ALA A 66 32.678 -10.204 3.114 1.00 0.00 N ATOM 963 CA ALA A 66 33.837 -10.743 3.845 1.00 0.00 C ATOM 964 C ALA A 66 35.060 -9.834 3.617 1.00 0.00 C ATOM 965 O ALA A 66 36.065 -9.930 4.326 1.00 0.00 O ATOM 966 CB ALA A 66 34.116 -12.171 3.372 1.00 0.00 C ATOM 0 H ALA A 66 32.820 -10.178 2.104 1.00 0.00 H new ATOM 0 HA ALA A 66 33.625 -10.768 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.974 -12.572 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.243 -12.795 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.330 -12.165 2.303 1.00 0.00 H new ATOM 972 N VAL A 67 34.945 -8.961 2.600 1.00 0.00 N ATOM 973 CA VAL A 67 35.964 -7.968 2.210 1.00 0.00 C ATOM 974 C VAL A 67 35.294 -6.596 2.024 1.00 0.00 C ATOM 975 O VAL A 67 34.079 -6.467 2.193 1.00 0.00 O ATOM 976 CB VAL A 67 36.679 -8.394 0.865 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.594 -9.618 1.079 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.646 -8.655 -0.275 1.00 0.00 C ATOM 0 H VAL A 67 34.115 -8.926 2.008 1.00 0.00 H new ATOM 0 HA VAL A 67 36.715 -7.912 2.998 1.00 0.00 H new ATOM 0 HB VAL A 67 37.308 -7.560 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.070 -9.885 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.359 -9.376 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 67 36.999 -10.459 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.173 -8.946 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 67 34.969 -9.455 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.073 -7.747 -0.462 1.00 0.00 H new ATOM 988 N THR A 68 36.098 -5.570 1.707 1.00 0.00 N ATOM 989 CA THR A 68 35.585 -4.279 1.235 1.00 0.00 C ATOM 990 C THR A 68 35.072 -4.460 -0.211 1.00 0.00 C ATOM 991 O THR A 68 35.876 -4.797 -1.094 1.00 0.00 O ATOM 992 CB THR A 68 36.693 -3.165 1.271 1.00 0.00 C ATOM 993 OG1 THR A 68 37.122 -2.950 2.631 1.00 0.00 O ATOM 994 CG2 THR A 68 36.213 -1.828 0.650 1.00 0.00 C ATOM 0 H THR A 68 37.115 -5.613 1.771 1.00 0.00 H new ATOM 0 HA THR A 68 34.779 -3.957 1.895 1.00 0.00 H new ATOM 0 HB THR A 68 37.528 -3.517 0.666 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.814 -2.256 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 68 37.017 -1.094 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.935 -1.990 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.349 -1.459 1.203 1.00 0.00 H new ATOM 1002 N PRO A 69 33.732 -4.304 -0.473 1.00 0.00 N ATOM 1003 CA PRO A 69 33.200 -4.351 -1.843 1.00 0.00 C ATOM 1004 C PRO A 69 33.662 -3.112 -2.649 1.00 0.00 C ATOM 1005 O PRO A 69 33.830 -2.026 -2.083 1.00 0.00 O ATOM 1006 CB PRO A 69 31.666 -4.415 -1.651 1.00 0.00 C ATOM 1007 CG PRO A 69 31.392 -3.865 -0.285 1.00 0.00 C ATOM 1008 CD PRO A 69 32.653 -4.083 0.535 1.00 0.00 C ATOM 0 HA PRO A 69 33.557 -5.204 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.153 -3.831 -2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.305 -5.440 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.143 -2.805 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.541 -4.370 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.870 -3.219 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.550 -4.942 1.198 1.00 0.00 H new ATOM 1016 N GLU A 70 33.879 -3.296 -3.964 1.00 0.00 N ATOM 1017 CA GLU A 70 34.474 -2.249 -4.833 1.00 0.00 C ATOM 1018 C GLU A 70 33.547 -1.028 -4.944 1.00 0.00 C ATOM 1019 O GLU A 70 34.000 0.117 -5.039 1.00 0.00 O ATOM 1020 CB GLU A 70 34.762 -2.817 -6.254 1.00 0.00 C ATOM 1021 CG GLU A 70 35.569 -4.128 -6.293 1.00 0.00 C ATOM 1022 CD GLU A 70 36.995 -3.980 -5.735 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.851 -3.398 -6.437 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.266 -4.453 -4.608 1.00 0.00 O ATOM 0 H GLU A 70 33.652 -4.161 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 70 35.412 -1.934 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.811 -2.981 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.301 -2.062 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.039 -4.890 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.624 -4.483 -7.322 1.00 0.00 H new ATOM 1031 N ASP A 71 32.240 -1.301 -4.917 1.00 0.00 N ATOM 1032 CA ASP A 71 31.194 -0.287 -5.123 1.00 0.00 C ATOM 1033 C ASP A 71 30.645 0.243 -3.792 1.00 0.00 C ATOM 1034 O ASP A 71 29.688 1.005 -3.792 1.00 0.00 O ATOM 1035 CB ASP A 71 30.070 -0.892 -6.006 1.00 0.00 C ATOM 1036 CG ASP A 71 30.581 -1.276 -7.409 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.315 -2.289 -7.522 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.292 -0.554 -8.396 1.00 0.00 O ATOM 0 H ASP A 71 31.872 -2.238 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 71 31.628 0.571 -5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.659 -1.775 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.257 -0.173 -6.101 1.00 0.00 H new ATOM 1043 N ASN A 72 31.302 -0.111 -2.666 1.00 0.00 N ATOM 1044 CA ASN A 72 30.914 0.334 -1.296 1.00 0.00 C ATOM 1045 C ASN A 72 30.836 1.878 -1.187 1.00 0.00 C ATOM 1046 O ASN A 72 29.979 2.424 -0.485 1.00 0.00 O ATOM 1047 CB ASN A 72 31.941 -0.226 -0.280 1.00 0.00 C ATOM 1048 CG ASN A 72 31.633 0.097 1.182 1.00 0.00 C ATOM 1049 OD1 ASN A 72 30.909 -0.635 1.857 1.00 0.00 O ATOM 1050 ND2 ASN A 72 32.205 1.175 1.695 1.00 0.00 N ATOM 0 H ASN A 72 32.122 -0.717 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 72 29.918 -0.050 -1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.993 -1.309 -0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.927 0.169 -0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.051 1.417 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 72 32.800 1.763 1.112 1.00 0.00 H new ATOM 1057 N GLU A 73 31.741 2.538 -1.924 1.00 0.00 N ATOM 1058 CA GLU A 73 31.840 4.015 -2.028 1.00 0.00 C ATOM 1059 C GLU A 73 30.552 4.683 -2.580 1.00 0.00 C ATOM 1060 O GLU A 73 30.306 5.869 -2.335 1.00 0.00 O ATOM 1061 CB GLU A 73 33.061 4.364 -2.918 1.00 0.00 C ATOM 1062 CG GLU A 73 33.049 3.677 -4.305 1.00 0.00 C ATOM 1063 CD GLU A 73 34.308 3.953 -5.137 1.00 0.00 C ATOM 1064 OE1 GLU A 73 35.370 3.363 -4.831 1.00 0.00 O ATOM 1065 OE2 GLU A 73 34.243 4.752 -6.104 1.00 0.00 O ATOM 0 H GLU A 73 32.445 2.054 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 73 31.968 4.413 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 73 33.097 5.444 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.973 4.081 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.943 2.601 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 73 32.175 4.015 -4.861 1.00 0.00 H new ATOM 1072 N ARG A 74 29.743 3.904 -3.314 1.00 0.00 N ATOM 1073 CA ARG A 74 28.487 4.377 -3.941 1.00 0.00 C ATOM 1074 C ARG A 74 27.299 4.259 -2.963 1.00 0.00 C ATOM 1075 O ARG A 74 26.256 4.899 -3.146 1.00 0.00 O ATOM 1076 CB ARG A 74 28.217 3.563 -5.236 1.00 0.00 C ATOM 1077 CG ARG A 74 29.460 3.433 -6.144 1.00 0.00 C ATOM 1078 CD ARG A 74 29.235 2.541 -7.375 1.00 0.00 C ATOM 1079 NE ARG A 74 28.447 3.202 -8.425 1.00 0.00 N ATOM 1080 CZ ARG A 74 28.452 2.843 -9.716 1.00 0.00 C ATOM 1081 NH1 ARG A 74 29.066 1.735 -10.121 1.00 0.00 N ATOM 1082 NH2 ARG A 74 27.799 3.580 -10.600 1.00 0.00 N ATOM 0 H ARG A 74 29.939 2.919 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 74 28.597 5.431 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.867 2.567 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 74 27.414 4.041 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 74 29.762 4.426 -6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 74 30.286 3.028 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 74 30.201 2.246 -7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 74 28.726 1.627 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 74 27.856 3.987 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 74 29.545 1.141 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 74 29.058 1.479 -11.108 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.297 4.414 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.798 3.314 -11.585 1.00 0.00 H new ATOM 1096 N PHE A 75 27.482 3.429 -1.923 1.00 0.00 N ATOM 1097 CA PHE A 75 26.484 3.202 -0.855 1.00 0.00 C ATOM 1098 C PHE A 75 26.870 3.977 0.431 1.00 0.00 C ATOM 1099 O PHE A 75 26.217 3.815 1.465 1.00 0.00 O ATOM 1100 CB PHE A 75 26.387 1.681 -0.543 1.00 0.00 C ATOM 1101 CG PHE A 75 26.046 0.795 -1.741 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.050 0.325 -2.580 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.737 0.418 -2.019 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.765 -0.478 -3.661 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.452 -0.390 -3.102 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.469 -0.840 -3.921 1.00 0.00 C ATOM 0 H PHE A 75 28.337 2.888 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 75 25.517 3.566 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.338 1.350 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.630 1.531 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.076 0.596 -2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.935 0.760 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.562 -0.822 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.430 -0.671 -3.309 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.243 -1.476 -4.764 1.00 0.00 H new ATOM 1116 N GLU A 76 27.913 4.829 0.327 1.00 0.00 N ATOM 1117 CA GLU A 76 28.540 5.539 1.468 1.00 0.00 C ATOM 1118 C GLU A 76 27.526 6.407 2.254 1.00 0.00 C ATOM 1119 O GLU A 76 27.425 6.303 3.483 1.00 0.00 O ATOM 1120 CB GLU A 76 29.719 6.402 0.926 1.00 0.00 C ATOM 1121 CG GLU A 76 30.500 7.233 1.972 1.00 0.00 C ATOM 1122 CD GLU A 76 31.127 6.393 3.100 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.080 5.634 2.824 1.00 0.00 O ATOM 1124 OE2 GLU A 76 30.674 6.492 4.264 1.00 0.00 O ATOM 0 H GLU A 76 28.352 5.048 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 76 28.913 4.800 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.423 5.741 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.325 7.084 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 76 31.289 7.787 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.827 7.969 2.412 1.00 0.00 H new ATOM 1131 N SER A 77 26.775 7.251 1.529 1.00 0.00 N ATOM 1132 CA SER A 77 25.792 8.180 2.128 1.00 0.00 C ATOM 1133 C SER A 77 24.407 7.519 2.320 1.00 0.00 C ATOM 1134 O SER A 77 23.536 8.080 2.996 1.00 0.00 O ATOM 1135 CB SER A 77 25.685 9.442 1.245 1.00 0.00 C ATOM 1136 OG SER A 77 25.364 9.107 -0.095 1.00 0.00 O ATOM 0 H SER A 77 26.829 7.312 0.512 1.00 0.00 H new ATOM 0 HA SER A 77 26.142 8.458 3.122 1.00 0.00 H new ATOM 0 HB2 SER A 77 24.922 10.107 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 77 26.629 9.987 1.270 1.00 0.00 H new ATOM 0 HG SER A 77 25.301 9.925 -0.631 1.00 0.00 H new ATOM 1142 N ARG A 78 24.220 6.318 1.737 1.00 0.00 N ATOM 1143 CA ARG A 78 22.937 5.582 1.772 1.00 0.00 C ATOM 1144 C ARG A 78 22.863 4.656 3.008 1.00 0.00 C ATOM 1145 O ARG A 78 23.896 4.289 3.576 1.00 0.00 O ATOM 1146 CB ARG A 78 22.764 4.785 0.448 1.00 0.00 C ATOM 1147 CG ARG A 78 22.540 5.659 -0.812 1.00 0.00 C ATOM 1148 CD ARG A 78 21.183 6.383 -0.800 1.00 0.00 C ATOM 1149 NE ARG A 78 20.890 7.068 -2.079 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.656 7.373 -2.529 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.567 7.036 -1.840 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.511 8.017 -3.681 1.00 0.00 N ATOM 0 H ARG A 78 24.955 5.829 1.227 1.00 0.00 H new ATOM 0 HA ARG A 78 22.116 6.294 1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.650 4.169 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.918 4.106 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.340 6.396 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.604 5.031 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.393 5.662 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.172 7.113 0.009 1.00 0.00 H new ATOM 0 HE ARG A 78 21.683 7.330 -2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.658 6.538 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.643 7.276 -2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.333 8.281 -4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.578 8.248 -4.022 1.00 0.00 H new ATOM 1166 N ASP A 79 21.628 4.302 3.425 1.00 0.00 N ATOM 1167 CA ASP A 79 21.375 3.515 4.652 1.00 0.00 C ATOM 1168 C ASP A 79 21.658 2.019 4.415 1.00 0.00 C ATOM 1169 O ASP A 79 20.806 1.285 3.889 1.00 0.00 O ATOM 1170 CB ASP A 79 19.915 3.713 5.144 1.00 0.00 C ATOM 1171 CG ASP A 79 19.572 5.183 5.439 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.989 5.707 6.492 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.888 5.823 4.616 1.00 0.00 O ATOM 0 H ASP A 79 20.778 4.554 2.920 1.00 0.00 H new ATOM 0 HA ASP A 79 22.054 3.876 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.228 3.330 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.758 3.121 6.046 1.00 0.00 H new ATOM 1178 N VAL A 80 22.876 1.587 4.778 1.00 0.00 N ATOM 1179 CA VAL A 80 23.335 0.201 4.586 1.00 0.00 C ATOM 1180 C VAL A 80 23.479 -0.518 5.937 1.00 0.00 C ATOM 1181 O VAL A 80 23.926 0.074 6.927 1.00 0.00 O ATOM 1182 CB VAL A 80 24.702 0.159 3.818 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.144 -1.287 3.529 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.632 0.983 2.517 1.00 0.00 C ATOM 0 H VAL A 80 23.573 2.191 5.214 1.00 0.00 H new ATOM 0 HA VAL A 80 22.583 -0.313 3.988 1.00 0.00 H new ATOM 0 HB VAL A 80 25.454 0.610 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.095 -1.277 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.260 -1.827 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.390 -1.783 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.593 0.937 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.856 0.575 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.398 2.020 2.756 1.00 0.00 H new ATOM 1194 N TYR A 81 23.087 -1.803 5.953 1.00 0.00 N ATOM 1195 CA TYR A 81 23.200 -2.691 7.113 1.00 0.00 C ATOM 1196 C TYR A 81 24.284 -3.737 6.835 1.00 0.00 C ATOM 1197 O TYR A 81 24.029 -4.779 6.219 1.00 0.00 O ATOM 1198 CB TYR A 81 21.817 -3.331 7.420 1.00 0.00 C ATOM 1199 CG TYR A 81 20.793 -2.293 7.914 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.035 -1.520 7.018 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.631 -2.043 9.277 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.160 -0.553 7.474 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.751 -1.083 9.728 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.023 -0.340 8.829 1.00 0.00 C ATOM 1205 OH TYR A 81 18.148 0.615 9.293 1.00 0.00 O ATOM 0 H TYR A 81 22.674 -2.259 5.140 1.00 0.00 H new ATOM 0 HA TYR A 81 23.496 -2.132 8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.436 -3.816 6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.938 -4.108 8.175 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.138 -1.685 5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.206 -2.612 9.992 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.586 0.033 6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.633 -0.914 10.788 1.00 0.00 H new ATOM 0 HH TYR A 81 18.174 0.634 10.272 1.00 0.00 H new ATOM 1215 N GLU A 82 25.519 -3.401 7.239 1.00 0.00 N ATOM 1216 CA GLU A 82 26.703 -4.245 7.009 1.00 0.00 C ATOM 1217 C GLU A 82 26.738 -5.430 7.989 1.00 0.00 C ATOM 1218 O GLU A 82 26.532 -5.262 9.195 1.00 0.00 O ATOM 1219 CB GLU A 82 27.990 -3.406 7.157 1.00 0.00 C ATOM 1220 CG GLU A 82 28.112 -2.239 6.159 1.00 0.00 C ATOM 1221 CD GLU A 82 29.356 -1.378 6.430 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.440 -1.695 5.900 1.00 0.00 O ATOM 1223 OE2 GLU A 82 29.257 -0.416 7.223 1.00 0.00 O ATOM 0 H GLU A 82 25.726 -2.534 7.736 1.00 0.00 H new ATOM 0 HA GLU A 82 26.643 -4.640 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.033 -3.007 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.852 -4.062 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.158 -2.633 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.220 -1.616 6.219 1.00 0.00 H new ATOM 1230 N ILE A 83 26.994 -6.615 7.434 1.00 0.00 N ATOM 1231 CA ILE A 83 27.159 -7.884 8.168 1.00 0.00 C ATOM 1232 C ILE A 83 28.225 -8.734 7.441 1.00 0.00 C ATOM 1233 O ILE A 83 28.857 -8.270 6.474 1.00 0.00 O ATOM 1234 CB ILE A 83 25.814 -8.719 8.228 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.260 -8.921 6.780 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.750 -8.080 9.165 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.098 -9.872 6.676 1.00 0.00 C ATOM 0 H ILE A 83 27.097 -6.729 6.426 1.00 0.00 H new ATOM 0 HA ILE A 83 27.456 -7.646 9.189 1.00 0.00 H new ATOM 0 HB ILE A 83 26.042 -9.692 8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 83 24.955 -7.952 6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.067 -9.285 6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.850 -8.695 9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.148 -8.017 10.178 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.505 -7.080 8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.782 -9.948 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.399 -10.855 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.270 -9.502 7.280 1.00 0.00 H new ATOM 1249 N THR A 84 28.403 -9.983 7.892 1.00 0.00 N ATOM 1250 CA THR A 84 29.211 -10.968 7.173 1.00 0.00 C ATOM 1251 C THR A 84 28.357 -11.697 6.133 1.00 0.00 C ATOM 1252 O THR A 84 27.130 -11.810 6.274 1.00 0.00 O ATOM 1253 CB THR A 84 29.857 -12.000 8.143 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.852 -12.584 8.994 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.952 -11.344 8.990 1.00 0.00 C ATOM 0 H THR A 84 27.994 -10.334 8.758 1.00 0.00 H new ATOM 0 HA THR A 84 30.014 -10.430 6.670 1.00 0.00 H new ATOM 0 HB THR A 84 30.314 -12.788 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.271 -13.232 9.598 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.388 -12.086 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.728 -10.945 8.336 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.521 -10.534 9.578 1.00 0.00 H new ATOM 1263 N LEU A 85 29.028 -12.181 5.085 1.00 0.00 N ATOM 1264 CA LEU A 85 28.392 -12.971 4.008 1.00 0.00 C ATOM 1265 C LEU A 85 27.889 -14.328 4.550 1.00 0.00 C ATOM 1266 O LEU A 85 26.895 -14.878 4.061 1.00 0.00 O ATOM 1267 CB LEU A 85 29.412 -13.128 2.847 1.00 0.00 C ATOM 1268 CG LEU A 85 28.837 -13.562 1.455 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.655 -12.953 0.306 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.763 -15.093 1.312 1.00 0.00 C ATOM 0 H LEU A 85 30.029 -12.040 4.952 1.00 0.00 H new ATOM 0 HA LEU A 85 27.511 -12.456 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.930 -12.178 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.160 -13.861 3.149 1.00 0.00 H new ATOM 0 HG LEU A 85 27.819 -13.178 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.234 -13.270 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.623 -11.866 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.689 -13.290 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.359 -15.348 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.762 -15.517 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.116 -15.500 2.089 1.00 0.00 H new ATOM 1282 N GLN A 86 28.588 -14.834 5.582 1.00 0.00 N ATOM 1283 CA GLN A 86 28.179 -16.024 6.345 1.00 0.00 C ATOM 1284 C GLN A 86 26.793 -15.816 6.991 1.00 0.00 C ATOM 1285 O GLN A 86 25.928 -16.692 6.898 1.00 0.00 O ATOM 1286 CB GLN A 86 29.242 -16.322 7.439 1.00 0.00 C ATOM 1287 CG GLN A 86 28.880 -17.465 8.414 1.00 0.00 C ATOM 1288 CD GLN A 86 29.980 -17.758 9.440 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.852 -18.597 9.212 1.00 0.00 O ATOM 1290 NE2 GLN A 86 29.953 -17.058 10.569 1.00 0.00 N ATOM 0 H GLN A 86 29.461 -14.423 5.912 1.00 0.00 H new ATOM 0 HA GLN A 86 28.107 -16.872 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.184 -16.568 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.410 -15.413 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.961 -17.207 8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.676 -18.370 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 86 29.216 -16.371 10.725 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.669 -17.208 11.279 1.00 0.00 H new ATOM 1299 N ASP A 87 26.604 -14.632 7.620 1.00 0.00 N ATOM 1300 CA ASP A 87 25.346 -14.266 8.310 1.00 0.00 C ATOM 1301 C ASP A 87 24.171 -14.217 7.322 1.00 0.00 C ATOM 1302 O ASP A 87 23.047 -14.550 7.676 1.00 0.00 O ATOM 1303 CB ASP A 87 25.479 -12.897 9.039 1.00 0.00 C ATOM 1304 CG ASP A 87 24.376 -12.654 10.093 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.272 -13.463 11.039 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.636 -11.648 9.997 1.00 0.00 O ATOM 0 H ASP A 87 27.319 -13.905 7.663 1.00 0.00 H new ATOM 0 HA ASP A 87 25.149 -15.037 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.453 -12.846 9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.448 -12.096 8.300 1.00 0.00 H new ATOM 1311 N ALA A 88 24.467 -13.811 6.077 1.00 0.00 N ATOM 1312 CA ALA A 88 23.475 -13.708 4.990 1.00 0.00 C ATOM 1313 C ALA A 88 22.871 -15.062 4.617 1.00 0.00 C ATOM 1314 O ALA A 88 21.717 -15.138 4.198 1.00 0.00 O ATOM 1315 CB ALA A 88 24.121 -13.078 3.768 1.00 0.00 C ATOM 0 H ALA A 88 25.409 -13.542 5.792 1.00 0.00 H new ATOM 0 HA ALA A 88 22.660 -13.081 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.386 -13.003 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.485 -12.082 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.956 -13.696 3.438 1.00 0.00 H new ATOM 1321 N ILE A 89 23.676 -16.113 4.766 1.00 0.00 N ATOM 1322 CA ILE A 89 23.274 -17.487 4.456 1.00 0.00 C ATOM 1323 C ILE A 89 22.418 -18.065 5.605 1.00 0.00 C ATOM 1324 O ILE A 89 21.269 -18.469 5.394 1.00 0.00 O ATOM 1325 CB ILE A 89 24.555 -18.373 4.212 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.413 -17.782 3.042 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.189 -19.851 3.933 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.808 -18.367 2.912 1.00 0.00 C ATOM 0 H ILE A 89 24.634 -16.036 5.108 1.00 0.00 H new ATOM 0 HA ILE A 89 22.670 -17.489 3.549 1.00 0.00 H new ATOM 0 HB ILE A 89 25.148 -18.355 5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.880 -17.940 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.499 -16.704 3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.100 -20.427 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.649 -20.260 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.560 -19.909 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.324 -17.896 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.366 -18.186 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.737 -19.440 2.736 1.00 0.00 H new ATOM 1340 N LYS A 90 22.993 -18.065 6.824 1.00 0.00 N ATOM 1341 CA LYS A 90 22.375 -18.702 8.010 1.00 0.00 C ATOM 1342 C LYS A 90 21.148 -17.911 8.525 1.00 0.00 C ATOM 1343 O LYS A 90 20.076 -18.484 8.753 1.00 0.00 O ATOM 1344 CB LYS A 90 23.431 -18.878 9.153 1.00 0.00 C ATOM 1345 CG LYS A 90 24.215 -17.598 9.545 1.00 0.00 C ATOM 1346 CD LYS A 90 25.011 -17.698 10.879 1.00 0.00 C ATOM 1347 CE LYS A 90 26.148 -18.746 10.879 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.658 -20.143 11.057 1.00 0.00 N ATOM 0 H LYS A 90 23.894 -17.627 7.016 1.00 0.00 H new ATOM 0 HA LYS A 90 22.020 -19.685 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.921 -19.256 10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.147 -19.641 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.910 -17.355 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.512 -16.768 9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.437 -16.721 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.316 -17.937 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.697 -18.677 9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.851 -18.510 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.323 -20.670 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.721 -20.127 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.587 -20.607 10.129 1.00 0.00 H new ATOM 1362 N ASN A 91 21.315 -16.589 8.657 1.00 0.00 N ATOM 1363 CA ASN A 91 20.342 -15.690 9.319 1.00 0.00 C ATOM 1364 C ASN A 91 19.563 -14.858 8.279 1.00 0.00 C ATOM 1365 O ASN A 91 19.017 -13.817 8.622 1.00 0.00 O ATOM 1366 CB ASN A 91 21.106 -14.741 10.287 1.00 0.00 C ATOM 1367 CG ASN A 91 20.202 -13.980 11.271 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.245 -14.528 11.816 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.456 -12.698 11.447 1.00 0.00 N ATOM 0 H ASN A 91 22.138 -16.101 8.305 1.00 0.00 H new ATOM 0 HA ASN A 91 19.625 -16.294 9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.830 -15.326 10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.671 -14.019 9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.852 -12.136 12.047 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.256 -12.268 10.983 1.00 0.00 H new ATOM 1376 N ALA A 92 19.491 -15.350 7.028 1.00 0.00 N ATOM 1377 CA ALA A 92 18.880 -14.641 5.870 1.00 0.00 C ATOM 1378 C ALA A 92 17.588 -13.866 6.218 1.00 0.00 C ATOM 1379 O ALA A 92 17.536 -12.619 6.144 1.00 0.00 O ATOM 1380 CB ALA A 92 18.582 -15.663 4.772 1.00 0.00 C ATOM 0 H ALA A 92 19.861 -16.268 6.781 1.00 0.00 H new ATOM 0 HA ALA A 92 19.601 -13.893 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.134 -15.158 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.509 -16.146 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.891 -16.415 5.153 1.00 0.00 H new ATOM 1386 N ALA A 93 16.581 -14.632 6.662 1.00 0.00 N ATOM 1387 CA ALA A 93 15.261 -14.105 7.011 1.00 0.00 C ATOM 1388 C ALA A 93 15.323 -13.236 8.269 1.00 0.00 C ATOM 1389 O ALA A 93 14.572 -12.269 8.385 1.00 0.00 O ATOM 1390 CB ALA A 93 14.268 -15.262 7.168 1.00 0.00 C ATOM 0 H ALA A 93 16.664 -15.641 6.789 1.00 0.00 H new ATOM 0 HA ALA A 93 14.914 -13.461 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.286 -14.866 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.200 -15.813 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.610 -15.931 7.958 1.00 0.00 H new ATOM 1396 N GLY A 94 16.265 -13.572 9.176 1.00 0.00 N ATOM 1397 CA GLY A 94 16.461 -12.833 10.417 1.00 0.00 C ATOM 1398 C GLY A 94 16.900 -11.397 10.161 1.00 0.00 C ATOM 1399 O GLY A 94 16.337 -10.476 10.731 1.00 0.00 O ATOM 0 H GLY A 94 16.902 -14.360 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.533 -12.832 10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.211 -13.339 11.026 1.00 0.00 H new ATOM 1403 N ILE A 95 17.865 -11.229 9.243 1.00 0.00 N ATOM 1404 CA ILE A 95 18.431 -9.921 8.860 1.00 0.00 C ATOM 1405 C ILE A 95 17.336 -9.010 8.281 1.00 0.00 C ATOM 1406 O ILE A 95 17.122 -7.900 8.778 1.00 0.00 O ATOM 1407 CB ILE A 95 19.567 -10.098 7.784 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.701 -11.044 8.296 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.154 -8.726 7.340 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.364 -11.839 7.202 1.00 0.00 C ATOM 0 H ILE A 95 18.282 -12.010 8.736 1.00 0.00 H new ATOM 0 HA ILE A 95 18.851 -9.466 9.757 1.00 0.00 H new ATOM 0 HB ILE A 95 19.109 -10.565 6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.456 -10.448 8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.284 -11.732 9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.935 -8.888 6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.362 -8.115 6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.576 -8.214 8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.140 -12.473 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.621 -12.462 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.811 -11.158 6.478 1.00 0.00 H new ATOM 1422 N ILE A 96 16.651 -9.506 7.228 1.00 0.00 N ATOM 1423 CA ILE A 96 15.590 -8.746 6.531 1.00 0.00 C ATOM 1424 C ILE A 96 14.487 -8.302 7.518 1.00 0.00 C ATOM 1425 O ILE A 96 14.145 -7.117 7.561 1.00 0.00 O ATOM 1426 CB ILE A 96 14.987 -9.573 5.314 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.877 -9.408 4.036 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.515 -9.212 4.984 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.240 -10.064 4.084 1.00 0.00 C ATOM 0 H ILE A 96 16.815 -10.435 6.840 1.00 0.00 H new ATOM 0 HA ILE A 96 16.043 -7.846 6.116 1.00 0.00 H new ATOM 0 HB ILE A 96 14.989 -10.615 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.331 -9.813 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.015 -8.343 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.172 -9.816 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.888 -9.410 5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.449 -8.156 4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.764 -9.883 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.817 -9.645 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.122 -11.137 4.232 1.00 0.00 H new ATOM 1441 N LYS A 97 13.977 -9.253 8.336 1.00 0.00 N ATOM 1442 CA LYS A 97 12.865 -8.976 9.281 1.00 0.00 C ATOM 1443 C LYS A 97 13.316 -8.037 10.419 1.00 0.00 C ATOM 1444 O LYS A 97 12.487 -7.338 10.995 1.00 0.00 O ATOM 1445 CB LYS A 97 12.242 -10.300 9.841 1.00 0.00 C ATOM 1446 CG LYS A 97 13.099 -11.095 10.875 1.00 0.00 C ATOM 1447 CD LYS A 97 12.877 -10.664 12.346 1.00 0.00 C ATOM 1448 CE LYS A 97 13.827 -11.361 13.330 1.00 0.00 C ATOM 1449 NZ LYS A 97 13.656 -10.838 14.712 1.00 0.00 N ATOM 0 H LYS A 97 14.315 -10.215 8.362 1.00 0.00 H new ATOM 0 HA LYS A 97 12.083 -8.462 8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.287 -10.056 10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.028 -10.958 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.870 -12.157 10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.153 -10.973 10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.009 -9.585 12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.847 -10.881 12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.640 -12.435 13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.858 -11.214 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.566 -10.477 15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.957 -10.068 14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.325 -11.603 15.334 1.00 0.00 H new ATOM 1463 N GLU A 98 14.633 -8.074 10.752 1.00 0.00 N ATOM 1464 CA GLU A 98 15.247 -7.172 11.755 1.00 0.00 C ATOM 1465 C GLU A 98 15.125 -5.719 11.291 1.00 0.00 C ATOM 1466 O GLU A 98 14.790 -4.833 12.077 1.00 0.00 O ATOM 1467 CB GLU A 98 16.751 -7.526 12.009 1.00 0.00 C ATOM 1468 CG GLU A 98 17.013 -8.630 13.058 1.00 0.00 C ATOM 1469 CD GLU A 98 16.599 -8.223 14.482 1.00 0.00 C ATOM 1470 OE1 GLU A 98 17.239 -7.311 15.047 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.648 -8.808 15.043 1.00 0.00 O ATOM 0 H GLU A 98 15.294 -8.728 10.333 1.00 0.00 H new ATOM 0 HA GLU A 98 14.711 -7.304 12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.197 -7.836 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.270 -6.621 12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.469 -9.530 12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.073 -8.883 13.053 1.00 0.00 H new ATOM 1478 N ILE A 99 15.368 -5.497 9.992 1.00 0.00 N ATOM 1479 CA ILE A 99 15.375 -4.147 9.415 1.00 0.00 C ATOM 1480 C ILE A 99 13.927 -3.676 9.240 1.00 0.00 C ATOM 1481 O ILE A 99 13.604 -2.514 9.473 1.00 0.00 O ATOM 1482 CB ILE A 99 16.149 -4.115 8.052 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.562 -4.782 8.210 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.277 -2.658 7.534 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.231 -5.193 6.908 1.00 0.00 C ATOM 0 H ILE A 99 15.563 -6.238 9.319 1.00 0.00 H new ATOM 0 HA ILE A 99 15.897 -3.470 10.091 1.00 0.00 H new ATOM 0 HB ILE A 99 15.584 -4.687 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.218 -4.087 8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.462 -5.664 8.843 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.817 -2.655 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.283 -2.236 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.821 -2.059 8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.200 -5.643 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.602 -5.916 6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.371 -4.315 6.278 1.00 0.00 H new ATOM 1497 N GLU A 100 13.072 -4.635 8.881 1.00 0.00 N ATOM 1498 CA GLU A 100 11.628 -4.442 8.727 1.00 0.00 C ATOM 1499 C GLU A 100 10.966 -4.020 10.045 1.00 0.00 C ATOM 1500 O GLU A 100 10.155 -3.107 10.046 1.00 0.00 O ATOM 1501 CB GLU A 100 10.997 -5.757 8.195 1.00 0.00 C ATOM 1502 CG GLU A 100 11.254 -6.019 6.699 1.00 0.00 C ATOM 1503 CD GLU A 100 10.265 -5.267 5.780 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.417 -4.034 5.590 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.314 -5.895 5.262 1.00 0.00 O ATOM 0 H GLU A 100 13.371 -5.590 8.684 1.00 0.00 H new ATOM 0 HA GLU A 100 11.459 -3.635 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.389 -6.595 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.921 -5.727 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.272 -5.719 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.181 -7.089 6.505 1.00 0.00 H new ATOM 1512 N GLU A 101 11.335 -4.678 11.161 1.00 0.00 N ATOM 1513 CA GLU A 101 10.710 -4.412 12.476 1.00 0.00 C ATOM 1514 C GLU A 101 11.241 -3.101 13.081 1.00 0.00 C ATOM 1515 O GLU A 101 10.523 -2.426 13.822 1.00 0.00 O ATOM 1516 CB GLU A 101 10.896 -5.601 13.462 1.00 0.00 C ATOM 1517 CG GLU A 101 12.339 -5.855 13.930 1.00 0.00 C ATOM 1518 CD GLU A 101 12.450 -6.976 14.976 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.340 -6.686 16.191 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.632 -8.147 14.592 1.00 0.00 O ATOM 0 H GLU A 101 12.060 -5.395 11.181 1.00 0.00 H new ATOM 0 HA GLU A 101 9.639 -4.301 12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.274 -5.423 14.339 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.523 -6.507 12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.954 -6.110 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.745 -4.935 14.349 1.00 0.00 H new ATOM 1527 N MET A 102 12.502 -2.746 12.746 1.00 0.00 N ATOM 1528 CA MET A 102 13.115 -1.477 13.179 1.00 0.00 C ATOM 1529 C MET A 102 12.436 -0.287 12.474 1.00 0.00 C ATOM 1530 O MET A 102 11.940 0.628 13.142 1.00 0.00 O ATOM 1531 CB MET A 102 14.656 -1.474 12.930 1.00 0.00 C ATOM 1532 CG MET A 102 15.464 -2.349 13.909 1.00 0.00 C ATOM 1533 SD MET A 102 17.259 -2.213 13.690 1.00 0.00 S ATOM 1534 CE MET A 102 17.498 -2.770 12.002 1.00 0.00 C ATOM 0 H MET A 102 13.115 -3.327 12.174 1.00 0.00 H new ATOM 0 HA MET A 102 12.961 -1.375 14.253 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.848 -1.817 11.913 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.020 -0.448 12.994 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.208 -2.068 14.931 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.168 -3.390 13.782 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.564 -2.816 11.782 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.059 -3.760 11.880 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.016 -2.073 11.317 1.00 0.00 H new ATOM 1544 N ILE A 103 12.390 -0.335 11.124 1.00 0.00 N ATOM 1545 CA ILE A 103 11.746 0.711 10.298 1.00 0.00 C ATOM 1546 C ILE A 103 10.250 0.825 10.652 1.00 0.00 C ATOM 1547 O ILE A 103 9.751 1.927 10.858 1.00 0.00 O ATOM 1548 CB ILE A 103 11.909 0.447 8.746 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.420 0.423 8.342 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.125 1.490 7.895 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.688 0.179 6.859 1.00 0.00 C ATOM 0 H ILE A 103 12.796 -1.095 10.579 1.00 0.00 H new ATOM 0 HA ILE A 103 12.253 1.649 10.524 1.00 0.00 H new ATOM 0 HB ILE A 103 11.480 -0.533 8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.871 1.374 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.923 -0.353 8.919 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.263 1.273 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.064 1.437 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.498 2.491 8.112 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.763 0.180 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.272 -0.786 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.220 0.968 6.270 1.00 0.00 H new ATOM 1563 N ALA A 104 9.561 -0.331 10.758 1.00 0.00 N ATOM 1564 CA ALA A 104 8.126 -0.380 11.104 1.00 0.00 C ATOM 1565 C ALA A 104 7.861 0.339 12.432 1.00 0.00 C ATOM 1566 O ALA A 104 7.028 1.224 12.483 1.00 0.00 O ATOM 1567 CB ALA A 104 7.605 -1.830 11.173 1.00 0.00 C ATOM 0 H ALA A 104 9.980 -1.249 10.607 1.00 0.00 H new ATOM 0 HA ALA A 104 7.585 0.134 10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.546 -1.824 11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.741 -2.312 10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.160 -2.380 11.933 1.00 0.00 H new ATOM 1573 N SER A 105 8.671 0.014 13.456 1.00 0.00 N ATOM 1574 CA SER A 105 8.444 0.471 14.845 1.00 0.00 C ATOM 1575 C SER A 105 8.546 2.005 14.962 1.00 0.00 C ATOM 1576 O SER A 105 7.711 2.642 15.618 1.00 0.00 O ATOM 1577 CB SER A 105 9.446 -0.218 15.804 1.00 0.00 C ATOM 1578 OG SER A 105 9.151 0.058 17.169 1.00 0.00 O ATOM 0 H SER A 105 9.500 -0.571 13.348 1.00 0.00 H new ATOM 0 HA SER A 105 7.430 0.189 15.130 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.424 -1.295 15.639 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.457 0.119 15.576 1.00 0.00 H new ATOM 0 HG SER A 105 9.804 -0.395 17.743 1.00 0.00 H new ATOM 1584 N GLU A 106 9.560 2.586 14.296 1.00 0.00 N ATOM 1585 CA GLU A 106 9.794 4.046 14.309 1.00 0.00 C ATOM 1586 C GLU A 106 8.769 4.803 13.428 1.00 0.00 C ATOM 1587 O GLU A 106 8.523 5.995 13.648 1.00 0.00 O ATOM 1588 CB GLU A 106 11.254 4.374 13.887 1.00 0.00 C ATOM 1589 CG GLU A 106 11.691 3.790 12.535 1.00 0.00 C ATOM 1590 CD GLU A 106 13.130 4.169 12.145 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.081 3.515 12.634 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.318 5.123 11.354 1.00 0.00 O ATOM 0 H GLU A 106 10.236 2.065 13.738 1.00 0.00 H new ATOM 0 HA GLU A 106 9.650 4.393 15.332 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.370 5.457 13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.930 4.006 14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.606 2.704 12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.008 4.137 11.759 1.00 0.00 H new ATOM 1599 N GLN A 107 8.174 4.108 12.430 1.00 0.00 N ATOM 1600 CA GLN A 107 7.110 4.689 11.573 1.00 0.00 C ATOM 1601 C GLN A 107 5.709 4.490 12.210 1.00 0.00 C ATOM 1602 O GLN A 107 4.752 5.178 11.836 1.00 0.00 O ATOM 1603 CB GLN A 107 7.151 4.092 10.136 1.00 0.00 C ATOM 1604 CG GLN A 107 8.492 4.280 9.367 1.00 0.00 C ATOM 1605 CD GLN A 107 8.869 5.726 8.999 1.00 0.00 C ATOM 1606 OE1 GLN A 107 8.547 6.684 9.697 1.00 0.00 O ATOM 1607 NE2 GLN A 107 9.573 5.894 7.881 1.00 0.00 N ATOM 0 H GLN A 107 8.412 3.144 12.197 1.00 0.00 H new ATOM 0 HA GLN A 107 7.299 5.760 11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.935 3.025 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.351 4.545 9.551 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.295 3.860 9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.445 3.694 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.831 5.086 7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.854 6.831 7.591 1.00 0.00 H new ATOM 1616 N GLN A 108 5.599 3.531 13.161 1.00 0.00 N ATOM 1617 CA GLN A 108 4.373 3.311 13.955 1.00 0.00 C ATOM 1618 C GLN A 108 4.331 4.331 15.124 1.00 0.00 C ATOM 1619 O GLN A 108 4.955 4.075 16.180 1.00 0.00 O ATOM 1620 CB GLN A 108 4.284 1.833 14.485 1.00 0.00 C ATOM 1621 CG GLN A 108 4.145 0.743 13.400 1.00 0.00 C ATOM 1622 CD GLN A 108 2.908 0.883 12.508 1.00 0.00 C ATOM 1623 OE1 GLN A 108 1.861 1.367 12.934 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.029 0.466 11.250 1.00 0.00 N ATOM 1625 OXT GLN A 108 3.708 5.404 14.963 1.00 0.00 O ATOM 0 H GLN A 108 6.358 2.891 13.396 1.00 0.00 H new ATOM 0 HA GLN A 108 3.506 3.466 13.313 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.177 1.623 15.074 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.432 1.759 15.161 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.034 0.761 12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.118 -0.233 13.885 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.911 0.069 10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.239 0.544 10.609 1.00 0.00 H new