USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 700 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 50 MET CE :methyl -156:sc=-0.00547 (180deg=-0.0429) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= 0.134 K(o=0.27,f=-0.73) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -174:sc= 0.135 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.283 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.614 K(o=0.61,f=-2.4!) USER MOD Single : A 31 ASN :FLIP amide:sc= 0.522 F(o=-0.015,f=0.52) USER MOD Single : A 37 THR OG1 : rot -37:sc= 1.23 USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00687 USER MOD Single : A 47 SER OG : rot -142:sc= 1.15 USER MOD Single : A 53 HIS : no HD1:sc= -0.0136 K(o=-0.014,f=-1.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.849 K(o=0.85,f=-8.4!) USER MOD Single : A 67 THR OG1 : rot 104:sc= 1.22 USER MOD Single : A 68 ASN : amide:sc= 0.333 K(o=0.33,f=-3.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0.915) USER MOD Single : A 78 MET CE :methyl 178:sc= -0.0452 (180deg=-0.048) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.707 F(o=-0.32,f=0.71) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.157 K(o=0.16,f=-1.3) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.692 -0.260 -3.557 1.00 0.00 N ATOM 30 CA ASP A 3 4.614 -0.690 -4.976 1.00 0.00 C ATOM 31 C ASP A 3 5.788 -0.070 -5.826 1.00 0.00 C ATOM 32 O ASP A 3 5.830 1.161 -5.953 1.00 0.00 O ATOM 33 CB ASP A 3 3.209 -0.268 -5.489 1.00 0.00 C ATOM 34 CG ASP A 3 2.886 -0.733 -6.908 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.192 -0.090 -7.908 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.249 -1.941 -6.929 1.00 0.00 O ATOM 0 HA ASP A 3 4.735 -1.769 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.454 -0.664 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.133 0.819 -5.450 1.00 0.00 H new ATOM 41 N PRO A 4 6.708 -0.845 -6.477 1.00 0.00 N ATOM 42 CA PRO A 4 7.780 -0.264 -7.338 1.00 0.00 C ATOM 43 C PRO A 4 7.364 0.417 -8.688 1.00 0.00 C ATOM 44 O PRO A 4 8.042 1.355 -9.116 1.00 0.00 O ATOM 45 CB PRO A 4 8.750 -1.450 -7.503 1.00 0.00 C ATOM 46 CG PRO A 4 7.926 -2.717 -7.280 1.00 0.00 C ATOM 47 CD PRO A 4 6.796 -2.312 -6.335 1.00 0.00 C ATOM 0 HA PRO A 4 8.210 0.617 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.199 -1.449 -8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.567 -1.386 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.531 -3.099 -8.222 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.535 -3.509 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.858 -2.795 -6.608 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.015 -2.599 -5.307 1.00 0.00 H new ATOM 55 N ALA A 5 6.258 0.001 -9.335 1.00 0.00 N ATOM 56 CA ALA A 5 5.672 0.727 -10.498 1.00 0.00 C ATOM 57 C ALA A 5 5.149 2.173 -10.192 1.00 0.00 C ATOM 58 O ALA A 5 5.569 3.121 -10.862 1.00 0.00 O ATOM 59 CB ALA A 5 4.600 -0.192 -11.115 1.00 0.00 C ATOM 0 H ALA A 5 5.743 -0.840 -9.075 1.00 0.00 H new ATOM 0 HA ALA A 5 6.467 0.928 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.145 0.304 -11.972 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.063 -1.124 -11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.833 -0.407 -10.371 1.00 0.00 H new ATOM 65 N ALA A 6 4.320 2.368 -9.144 1.00 0.00 N ATOM 66 CA ALA A 6 4.067 3.718 -8.563 1.00 0.00 C ATOM 67 C ALA A 6 5.310 4.488 -7.994 1.00 0.00 C ATOM 68 O ALA A 6 5.382 5.710 -8.136 1.00 0.00 O ATOM 69 CB ALA A 6 2.964 3.565 -7.503 1.00 0.00 C ATOM 0 H ALA A 6 3.813 1.615 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 6 3.762 4.359 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.752 4.536 -7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.060 3.177 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.297 2.874 -6.729 1.00 0.00 H new ATOM 75 N GLY A 7 6.315 3.802 -7.420 1.00 0.00 N ATOM 76 CA GLY A 7 7.649 4.409 -7.155 1.00 0.00 C ATOM 77 C GLY A 7 8.455 4.984 -8.348 1.00 0.00 C ATOM 78 O GLY A 7 9.167 5.969 -8.158 1.00 0.00 O ATOM 0 H GLY A 7 6.237 2.828 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.509 5.213 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.267 3.652 -6.673 1.00 0.00 H new ATOM 82 N GLU A 8 8.327 4.419 -9.563 1.00 0.00 N ATOM 83 CA GLU A 8 8.861 5.036 -10.812 1.00 0.00 C ATOM 84 C GLU A 8 8.227 6.408 -11.216 1.00 0.00 C ATOM 85 O GLU A 8 8.980 7.293 -11.635 1.00 0.00 O ATOM 86 CB GLU A 8 8.799 3.987 -11.956 1.00 0.00 C ATOM 87 CG GLU A 8 9.657 4.304 -13.213 1.00 0.00 C ATOM 88 CD GLU A 8 8.983 5.081 -14.348 1.00 0.00 C ATOM 89 OE1 GLU A 8 8.978 6.434 -14.144 1.00 0.00 O ATOM 90 OE2 GLU A 8 8.530 4.535 -15.350 1.00 0.00 O ATOM 0 H GLU A 8 7.855 3.528 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 8 9.896 5.309 -10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.116 3.023 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.760 3.878 -12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.531 4.869 -12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.020 3.360 -13.620 1.00 0.00 H new ATOM 97 N LYS A 9 6.893 6.599 -11.122 1.00 0.00 N ATOM 98 CA LYS A 9 6.269 7.956 -11.225 1.00 0.00 C ATOM 99 C LYS A 9 6.675 8.974 -10.103 1.00 0.00 C ATOM 100 O LYS A 9 6.957 10.135 -10.409 1.00 0.00 O ATOM 101 CB LYS A 9 4.732 7.863 -11.449 1.00 0.00 C ATOM 102 CG LYS A 9 3.855 7.315 -10.307 1.00 0.00 C ATOM 103 CD LYS A 9 2.340 7.454 -10.565 1.00 0.00 C ATOM 104 CE LYS A 9 1.444 6.798 -9.497 1.00 0.00 C ATOM 105 NZ LYS A 9 1.525 7.488 -8.193 1.00 0.00 N ATOM 0 H LYS A 9 6.224 5.843 -10.976 1.00 0.00 H new ATOM 0 HA LYS A 9 6.705 8.399 -12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.372 8.862 -11.694 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.562 7.239 -12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.093 6.263 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.107 7.838 -9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.091 8.513 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.108 7.014 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.410 6.800 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.736 5.755 -9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.905 7.010 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.506 7.464 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.221 8.476 -8.304 1.00 0.00 H new ATOM 118 N VAL A 10 6.776 8.534 -8.832 1.00 0.00 N ATOM 119 CA VAL A 10 7.377 9.345 -7.724 1.00 0.00 C ATOM 120 C VAL A 10 8.901 9.676 -7.952 1.00 0.00 C ATOM 121 O VAL A 10 9.296 10.824 -7.732 1.00 0.00 O ATOM 122 CB VAL A 10 7.076 8.691 -6.329 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.576 9.553 -5.145 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.574 8.411 -6.061 1.00 0.00 C ATOM 0 H VAL A 10 6.449 7.615 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 10 6.889 10.320 -7.730 1.00 0.00 H new ATOM 0 HB VAL A 10 7.616 7.746 -6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.341 9.052 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.655 9.689 -5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.085 10.526 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.458 7.959 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.017 9.347 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.190 7.729 -6.820 1.00 0.00 H new ATOM 134 N PHE A 11 9.745 8.735 -8.437 1.00 0.00 N ATOM 135 CA PHE A 11 11.129 9.049 -8.899 1.00 0.00 C ATOM 136 C PHE A 11 11.260 10.108 -10.054 1.00 0.00 C ATOM 137 O PHE A 11 12.289 10.781 -10.099 1.00 0.00 O ATOM 138 CB PHE A 11 11.891 7.723 -9.209 1.00 0.00 C ATOM 139 CG PHE A 11 13.430 7.865 -9.279 1.00 0.00 C ATOM 140 CD1 PHE A 11 14.200 7.766 -8.117 1.00 0.00 C ATOM 141 CD2 PHE A 11 14.061 8.189 -10.485 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.561 8.058 -8.145 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.419 8.502 -10.510 1.00 0.00 C ATOM 144 CZ PHE A 11 16.165 8.451 -9.336 1.00 0.00 C ATOM 0 H PHE A 11 9.496 7.749 -8.521 1.00 0.00 H new ATOM 0 HA PHE A 11 11.604 9.566 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.642 6.989 -8.443 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.532 7.327 -10.159 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.736 7.461 -7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.492 8.197 -11.403 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.148 7.980 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.892 8.784 -11.439 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.212 8.716 -9.349 1.00 0.00 H new ATOM 154 N GLY A 12 10.256 10.342 -10.926 1.00 0.00 N ATOM 155 CA GLY A 12 10.210 11.567 -11.788 1.00 0.00 C ATOM 156 C GLY A 12 10.359 12.973 -11.132 1.00 0.00 C ATOM 157 O GLY A 12 10.929 13.871 -11.753 1.00 0.00 O ATOM 0 H GLY A 12 9.466 9.710 -11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.997 11.470 -12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.260 11.555 -12.322 1.00 0.00 H new ATOM 161 N LYS A 13 9.932 13.140 -9.869 1.00 0.00 N ATOM 162 CA LYS A 13 10.378 14.268 -8.985 1.00 0.00 C ATOM 163 C LYS A 13 11.929 14.353 -8.705 1.00 0.00 C ATOM 164 O LYS A 13 12.481 15.449 -8.589 1.00 0.00 O ATOM 165 CB LYS A 13 9.613 14.159 -7.631 1.00 0.00 C ATOM 166 CG LYS A 13 8.065 14.222 -7.688 1.00 0.00 C ATOM 167 CD LYS A 13 7.403 13.799 -6.362 1.00 0.00 C ATOM 168 CE LYS A 13 5.883 13.626 -6.511 1.00 0.00 C ATOM 169 NZ LYS A 13 5.286 13.211 -5.227 1.00 0.00 N ATOM 0 H LYS A 13 9.270 12.508 -9.419 1.00 0.00 H new ATOM 0 HA LYS A 13 10.146 15.183 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.896 13.219 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.961 14.961 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.756 15.237 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.708 13.575 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.843 12.863 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.610 14.548 -5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.434 14.562 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.668 12.881 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.259 13.098 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.702 12.307 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.476 13.936 -4.506 1.00 0.00 H new ATOM 182 N CYS A 14 12.610 13.200 -8.583 1.00 0.00 N ATOM 183 CA CYS A 14 14.086 13.097 -8.457 1.00 0.00 C ATOM 184 C CYS A 14 14.902 13.170 -9.806 1.00 0.00 C ATOM 185 O CYS A 14 16.019 13.696 -9.797 1.00 0.00 O ATOM 186 CB CYS A 14 14.362 11.770 -7.696 1.00 0.00 C ATOM 187 SG CYS A 14 13.092 11.295 -6.470 1.00 0.00 S ATOM 0 H CYS A 14 12.146 12.292 -8.568 1.00 0.00 H new ATOM 0 HA CYS A 14 14.443 13.976 -7.921 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.459 10.965 -8.425 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.322 11.855 -7.186 1.00 0.00 H new ATOM 0 HG CYS A 14 13.432 10.175 -5.905 1.00 0.00 H new ATOM 192 N LYS A 15 14.367 12.648 -10.940 1.00 0.00 N ATOM 193 CA LYS A 15 15.079 12.511 -12.255 1.00 0.00 C ATOM 194 C LYS A 15 15.895 13.717 -12.824 1.00 0.00 C ATOM 195 O LYS A 15 16.986 13.500 -13.360 1.00 0.00 O ATOM 196 CB LYS A 15 14.076 12.016 -13.344 1.00 0.00 C ATOM 197 CG LYS A 15 13.699 10.519 -13.275 1.00 0.00 C ATOM 198 CD LYS A 15 12.724 10.031 -14.367 1.00 0.00 C ATOM 199 CE LYS A 15 13.371 9.863 -15.749 1.00 0.00 C ATOM 200 NZ LYS A 15 12.394 9.314 -16.708 1.00 0.00 N ATOM 0 H LYS A 15 13.409 12.301 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 15 15.862 11.793 -12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.163 12.606 -13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.504 12.219 -14.326 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.613 9.928 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.256 10.318 -12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.296 9.077 -14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.899 10.739 -14.447 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.739 10.825 -16.105 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.232 9.199 -15.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.845 9.205 -17.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.063 8.387 -16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.585 9.962 -16.789 1.00 0.00 H new ATOM 213 N ALA A 16 15.386 14.960 -12.736 1.00 0.00 N ATOM 214 CA ALA A 16 16.157 16.175 -13.132 1.00 0.00 C ATOM 215 C ALA A 16 17.518 16.428 -12.393 1.00 0.00 C ATOM 216 O ALA A 16 18.473 16.895 -13.019 1.00 0.00 O ATOM 217 CB ALA A 16 15.192 17.368 -12.997 1.00 0.00 C ATOM 0 H ALA A 16 14.445 15.159 -12.396 1.00 0.00 H new ATOM 0 HA ALA A 16 16.500 16.024 -14.156 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.708 18.287 -13.276 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.335 17.219 -13.654 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.849 17.444 -11.965 1.00 0.00 H new ATOM 223 N CYS A 17 17.610 16.104 -11.090 1.00 0.00 N ATOM 224 CA CYS A 17 18.894 16.091 -10.347 1.00 0.00 C ATOM 225 C CYS A 17 19.654 14.718 -10.317 1.00 0.00 C ATOM 226 O CYS A 17 20.883 14.714 -10.441 1.00 0.00 O ATOM 227 CB CYS A 17 18.587 16.567 -8.915 1.00 0.00 C ATOM 228 SG CYS A 17 17.667 18.134 -8.857 1.00 0.00 S ATOM 0 H CYS A 17 16.804 15.845 -10.521 1.00 0.00 H new ATOM 0 HA CYS A 17 19.581 16.750 -10.877 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.012 15.797 -8.400 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.524 16.684 -8.370 1.00 0.00 H new ATOM 0 HG CYS A 17 17.447 18.463 -7.619 1.00 0.00 H new ATOM 233 N HIS A 18 18.950 13.591 -10.088 1.00 0.00 N ATOM 234 CA HIS A 18 19.560 12.255 -9.847 1.00 0.00 C ATOM 235 C HIS A 18 19.224 11.266 -11.002 1.00 0.00 C ATOM 236 O HIS A 18 18.053 11.082 -11.351 1.00 0.00 O ATOM 237 CB HIS A 18 18.957 11.663 -8.546 1.00 0.00 C ATOM 238 CG HIS A 18 19.379 12.305 -7.234 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.499 11.924 -6.544 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.530 13.022 -6.398 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.194 12.363 -5.292 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.007 13.050 -5.079 1.00 0.00 N ATOM 0 H HIS A 18 17.930 13.576 -10.064 1.00 0.00 H new ATOM 0 HA HIS A 18 20.640 12.382 -9.778 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.871 11.723 -8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.216 10.605 -8.504 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.334 11.443 -6.877 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.617 13.498 -6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.871 12.178 -4.471 1.00 0.00 H new ATOM 250 N LYS A 19 20.229 10.541 -11.521 1.00 0.00 N ATOM 251 CA LYS A 19 19.988 9.416 -12.471 1.00 0.00 C ATOM 252 C LYS A 19 20.502 8.113 -11.812 1.00 0.00 C ATOM 253 O LYS A 19 21.679 8.003 -11.465 1.00 0.00 O ATOM 254 CB LYS A 19 20.625 9.663 -13.862 1.00 0.00 C ATOM 255 CG LYS A 19 20.153 10.955 -14.570 1.00 0.00 C ATOM 256 CD LYS A 19 20.575 11.042 -16.051 1.00 0.00 C ATOM 257 CE LYS A 19 20.265 12.395 -16.720 1.00 0.00 C ATOM 258 NZ LYS A 19 18.815 12.659 -16.840 1.00 0.00 N ATOM 0 H LYS A 19 21.213 10.704 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 19 18.919 9.331 -12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 19 21.708 9.702 -13.748 1.00 0.00 H new ATOM 0 HB3 LYS A 19 20.403 8.811 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.067 11.017 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 19 20.553 11.817 -14.037 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.646 10.851 -16.123 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.072 10.251 -16.607 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.728 13.195 -16.142 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.716 12.416 -17.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.667 13.582 -17.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.373 11.913 -17.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.384 12.668 -15.893 1.00 0.00 H new ATOM 271 N LEU A 20 19.624 7.107 -11.661 1.00 0.00 N ATOM 272 CA LEU A 20 19.986 5.770 -11.098 1.00 0.00 C ATOM 273 C LEU A 20 21.274 5.111 -11.673 1.00 0.00 C ATOM 274 O LEU A 20 22.153 4.699 -10.914 1.00 0.00 O ATOM 275 CB LEU A 20 18.766 4.815 -11.268 1.00 0.00 C ATOM 276 CG LEU A 20 17.497 5.154 -10.450 1.00 0.00 C ATOM 277 CD1 LEU A 20 16.251 4.457 -11.013 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.649 4.810 -8.964 1.00 0.00 C ATOM 0 H LEU A 20 18.641 7.185 -11.922 1.00 0.00 H new ATOM 0 HA LEU A 20 20.228 5.944 -10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.495 4.795 -12.324 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.083 3.807 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 20 17.368 6.233 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.382 4.722 -10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.089 4.777 -12.042 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.395 3.377 -10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.731 5.067 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.843 3.743 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.481 5.375 -8.543 1.00 0.00 H new ATOM 290 N ASP A 21 21.376 5.012 -13.004 1.00 0.00 N ATOM 291 CA ASP A 21 22.258 4.004 -13.654 1.00 0.00 C ATOM 292 C ASP A 21 23.674 4.591 -13.936 1.00 0.00 C ATOM 293 O ASP A 21 24.008 4.988 -15.056 1.00 0.00 O ATOM 294 CB ASP A 21 21.503 3.410 -14.875 1.00 0.00 C ATOM 295 CG ASP A 21 20.274 2.573 -14.489 1.00 0.00 C ATOM 296 OD1 ASP A 21 20.616 1.343 -14.008 1.00 0.00 O ATOM 297 OD2 ASP A 21 19.122 2.990 -14.547 1.00 0.00 O ATOM 0 H ASP A 21 20.868 5.607 -13.658 1.00 0.00 H new ATOM 0 HA ASP A 21 22.470 3.165 -12.991 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.188 4.224 -15.528 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.190 2.788 -15.449 1.00 0.00 H new ATOM 302 N GLY A 22 24.484 4.683 -12.863 1.00 0.00 N ATOM 303 CA GLY A 22 25.862 5.245 -12.918 1.00 0.00 C ATOM 304 C GLY A 22 26.085 6.776 -13.082 1.00 0.00 C ATOM 305 O GLY A 22 27.172 7.262 -12.769 1.00 0.00 O ATOM 0 H GLY A 22 24.208 4.372 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.370 4.942 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.377 4.755 -13.744 1.00 0.00 H new ATOM 309 N ASN A 23 25.099 7.521 -13.603 1.00 0.00 N ATOM 310 CA ASN A 23 25.272 8.927 -14.058 1.00 0.00 C ATOM 311 C ASN A 23 24.961 9.955 -12.920 1.00 0.00 C ATOM 312 O ASN A 23 23.833 10.063 -12.430 1.00 0.00 O ATOM 313 CB ASN A 23 24.367 9.141 -15.306 1.00 0.00 C ATOM 314 CG ASN A 23 24.886 8.551 -16.624 1.00 0.00 C ATOM 315 OD1 ASN A 23 25.553 9.218 -17.405 1.00 0.00 O ATOM 316 ND2 ASN A 23 24.606 7.307 -16.936 1.00 0.00 N ATOM 0 H ASN A 23 24.149 7.171 -13.725 1.00 0.00 H new ATOM 0 HA ASN A 23 26.314 9.102 -14.327 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.388 8.709 -15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 23 24.220 10.212 -15.444 1.00 0.00 H new ATOM 0 HD21 ASN A 23 24.943 6.913 -17.815 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.052 6.734 -16.300 1.00 0.00 H new ATOM 323 N ASP A 24 25.985 10.722 -12.519 1.00 0.00 N ATOM 324 CA ASP A 24 25.885 11.734 -11.427 1.00 0.00 C ATOM 325 C ASP A 24 25.653 13.156 -12.036 1.00 0.00 C ATOM 326 O ASP A 24 26.464 13.624 -12.842 1.00 0.00 O ATOM 327 CB ASP A 24 27.195 11.688 -10.587 1.00 0.00 C ATOM 328 CG ASP A 24 27.437 10.392 -9.809 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.905 9.389 -10.602 1.00 0.00 O ATOM 330 OD2 ASP A 24 27.200 10.260 -8.613 1.00 0.00 O ATOM 0 H ASP A 24 26.914 10.667 -12.937 1.00 0.00 H new ATOM 0 HA ASP A 24 25.038 11.510 -10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.040 11.852 -11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.182 12.518 -9.880 1.00 0.00 H new ATOM 335 N GLY A 25 24.549 13.833 -11.665 1.00 0.00 N ATOM 336 CA GLY A 25 24.191 15.159 -12.246 1.00 0.00 C ATOM 337 C GLY A 25 24.293 16.315 -11.235 1.00 0.00 C ATOM 338 O GLY A 25 25.393 16.684 -10.818 1.00 0.00 O ATOM 0 H GLY A 25 23.886 13.492 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 25 24.847 15.366 -13.092 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.174 15.115 -12.635 1.00 0.00 H new ATOM 342 N VAL A 26 23.144 16.876 -10.827 1.00 0.00 N ATOM 343 CA VAL A 26 23.081 17.805 -9.645 1.00 0.00 C ATOM 344 C VAL A 26 23.191 17.009 -8.295 1.00 0.00 C ATOM 345 O VAL A 26 23.990 17.392 -7.436 1.00 0.00 O ATOM 346 CB VAL A 26 21.843 18.772 -9.720 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.751 19.766 -8.537 1.00 0.00 C ATOM 348 CG2 VAL A 26 21.782 19.618 -11.015 1.00 0.00 C ATOM 0 H VAL A 26 22.245 16.716 -11.281 1.00 0.00 H new ATOM 0 HA VAL A 26 23.951 18.461 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 26 21.006 18.074 -9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.872 20.398 -8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.671 19.212 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.645 20.389 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.900 20.258 -10.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.677 20.236 -11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.726 18.956 -11.879 1.00 0.00 H new ATOM 358 N GLY A 27 22.425 15.915 -8.119 1.00 0.00 N ATOM 359 CA GLY A 27 22.708 14.908 -7.069 1.00 0.00 C ATOM 360 C GLY A 27 23.485 13.643 -7.546 1.00 0.00 C ATOM 361 O GLY A 27 23.644 13.435 -8.756 1.00 0.00 O ATOM 0 H GLY A 27 21.605 15.703 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.281 15.387 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.762 14.589 -6.631 1.00 0.00 H new ATOM 365 N PRO A 28 23.961 12.743 -6.637 1.00 0.00 N ATOM 366 CA PRO A 28 24.664 11.492 -7.036 1.00 0.00 C ATOM 367 C PRO A 28 23.764 10.417 -7.728 1.00 0.00 C ATOM 368 O PRO A 28 22.532 10.486 -7.702 1.00 0.00 O ATOM 369 CB PRO A 28 25.223 11.013 -5.678 1.00 0.00 C ATOM 370 CG PRO A 28 24.211 11.518 -4.651 1.00 0.00 C ATOM 371 CD PRO A 28 23.846 12.903 -5.174 1.00 0.00 C ATOM 0 HA PRO A 28 25.415 11.665 -7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.313 9.927 -5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.216 11.421 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.339 10.867 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.642 11.566 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.838 13.194 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.524 13.669 -4.797 1.00 0.00 H new ATOM 379 N HIS A 29 24.376 9.374 -8.308 1.00 0.00 N ATOM 380 CA HIS A 29 23.609 8.237 -8.884 1.00 0.00 C ATOM 381 C HIS A 29 22.925 7.358 -7.778 1.00 0.00 C ATOM 382 O HIS A 29 23.594 6.881 -6.854 1.00 0.00 O ATOM 383 CB HIS A 29 24.491 7.448 -9.888 1.00 0.00 C ATOM 384 CG HIS A 29 25.642 6.591 -9.354 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.973 6.984 -9.289 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.505 5.249 -8.986 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.526 5.800 -8.861 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.728 4.710 -8.643 1.00 0.00 N ATOM 0 H HIS A 29 25.388 9.285 -8.395 1.00 0.00 H new ATOM 0 HA HIS A 29 22.771 8.630 -9.459 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.833 6.794 -10.461 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.915 8.167 -10.589 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.409 7.882 -9.497 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.570 4.708 -8.972 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.591 5.730 -8.697 1.00 0.00 H new ATOM 396 N LEU A 30 21.594 7.175 -7.838 1.00 0.00 N ATOM 397 CA LEU A 30 20.831 6.473 -6.754 1.00 0.00 C ATOM 398 C LEU A 30 20.614 4.927 -6.899 1.00 0.00 C ATOM 399 O LEU A 30 19.866 4.370 -6.087 1.00 0.00 O ATOM 400 CB LEU A 30 19.498 7.240 -6.493 1.00 0.00 C ATOM 401 CG LEU A 30 19.593 8.615 -5.785 1.00 0.00 C ATOM 402 CD1 LEU A 30 18.199 9.259 -5.728 1.00 0.00 C ATOM 403 CD2 LEU A 30 20.155 8.548 -4.353 1.00 0.00 C ATOM 0 H LEU A 30 21.015 7.496 -8.614 1.00 0.00 H new ATOM 0 HA LEU A 30 21.483 6.508 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 30 19.002 7.389 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.851 6.598 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 30 20.292 9.208 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.265 10.226 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.820 9.397 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.521 8.611 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 30 20.189 9.551 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.513 7.916 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 30 21.161 8.130 -4.376 1.00 0.00 H new ATOM 415 N ASN A 31 21.280 4.202 -7.829 1.00 0.00 N ATOM 416 CA ASN A 31 21.235 2.706 -7.862 1.00 0.00 C ATOM 417 C ASN A 31 21.722 2.041 -6.525 1.00 0.00 C ATOM 418 O ASN A 31 22.800 2.350 -6.002 1.00 0.00 O ATOM 419 CB ASN A 31 21.920 2.130 -9.136 1.00 0.00 C ATOM 420 CG ASN A 31 23.454 2.210 -9.298 1.00 0.00 C ATOM 421 OD1 ASN A 31 23.976 2.174 -10.500 1.00 0.00 O flip ATOM 422 ND2 ASN A 31 24.238 2.291 -8.361 1.00 0.00 N flip ATOM 0 H ASN A 31 21.853 4.617 -8.564 1.00 0.00 H new ATOM 0 HA ASN A 31 20.184 2.428 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 31 21.642 1.078 -9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 31 21.478 2.633 -9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.887 2.323 -7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 31 25.242 2.327 -8.538 1.00 0.00 H new ATOM 429 N GLY A 32 20.853 1.222 -5.915 1.00 0.00 N ATOM 430 CA GLY A 32 21.119 0.615 -4.585 1.00 0.00 C ATOM 431 C GLY A 32 21.397 1.545 -3.391 1.00 0.00 C ATOM 432 O GLY A 32 22.283 1.239 -2.595 1.00 0.00 O ATOM 0 H GLY A 32 19.953 0.958 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.261 -0.006 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.975 -0.052 -4.691 1.00 0.00 H new ATOM 436 N VAL A 33 20.626 2.636 -3.231 1.00 0.00 N ATOM 437 CA VAL A 33 20.722 3.514 -2.020 1.00 0.00 C ATOM 438 C VAL A 33 20.153 2.899 -0.686 1.00 0.00 C ATOM 439 O VAL A 33 20.568 3.312 0.397 1.00 0.00 O ATOM 440 CB VAL A 33 20.214 4.959 -2.350 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.680 5.086 -2.439 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.744 6.022 -1.359 1.00 0.00 C ATOM 0 H VAL A 33 19.930 2.941 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 33 21.782 3.590 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 33 20.624 5.150 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.413 6.117 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.305 4.429 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.235 4.802 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.359 7.003 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.413 5.776 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.833 6.037 -1.390 1.00 0.00 H new ATOM 452 N VAL A 34 19.237 1.914 -0.750 1.00 0.00 N ATOM 453 CA VAL A 34 18.602 1.277 0.441 1.00 0.00 C ATOM 454 C VAL A 34 19.636 0.330 1.144 1.00 0.00 C ATOM 455 O VAL A 34 20.006 -0.719 0.610 1.00 0.00 O ATOM 456 CB VAL A 34 17.269 0.557 0.025 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.500 0.017 1.254 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.284 1.454 -0.767 1.00 0.00 C ATOM 0 H VAL A 34 18.907 1.528 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 34 18.321 2.034 1.173 1.00 0.00 H new ATOM 0 HB VAL A 34 17.604 -0.254 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.584 -0.474 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.124 -0.700 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.249 0.844 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.390 0.882 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.006 2.315 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.762 1.797 -1.685 1.00 0.00 H new ATOM 468 N GLY A 35 20.140 0.752 2.316 1.00 0.00 N ATOM 469 CA GLY A 35 21.376 0.171 2.914 1.00 0.00 C ATOM 470 C GLY A 35 22.750 0.820 2.586 1.00 0.00 C ATOM 471 O GLY A 35 23.749 0.372 3.150 1.00 0.00 O ATOM 0 H GLY A 35 19.718 1.493 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.256 0.186 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.426 -0.875 2.613 1.00 0.00 H new ATOM 475 N ARG A 36 22.839 1.843 1.715 1.00 0.00 N ATOM 476 CA ARG A 36 24.139 2.427 1.273 1.00 0.00 C ATOM 477 C ARG A 36 24.684 3.508 2.252 1.00 0.00 C ATOM 478 O ARG A 36 23.929 4.319 2.795 1.00 0.00 O ATOM 479 CB ARG A 36 23.917 3.003 -0.150 1.00 0.00 C ATOM 480 CG ARG A 36 25.193 3.353 -0.958 1.00 0.00 C ATOM 481 CD ARG A 36 24.927 3.694 -2.440 1.00 0.00 C ATOM 482 NE ARG A 36 24.457 5.097 -2.624 1.00 0.00 N ATOM 483 CZ ARG A 36 24.148 5.642 -3.802 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.044 4.965 -4.917 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.942 6.925 -3.870 1.00 0.00 N ATOM 0 H ARG A 36 22.024 2.291 1.296 1.00 0.00 H new ATOM 0 HA ARG A 36 24.904 1.651 1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 36 23.336 2.281 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.310 3.904 -0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.689 4.201 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 36 25.884 2.511 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 36 25.840 3.541 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 36 24.180 3.008 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 36 24.365 5.680 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.203 3.957 -4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.804 5.445 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 36 24.018 7.499 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.705 7.357 -4.763 1.00 0.00 H new ATOM 499 N THR A 37 26.012 3.551 2.439 1.00 0.00 N ATOM 500 CA THR A 37 26.674 4.480 3.402 1.00 0.00 C ATOM 501 C THR A 37 26.432 5.998 3.096 1.00 0.00 C ATOM 502 O THR A 37 26.458 6.432 1.938 1.00 0.00 O ATOM 503 CB THR A 37 28.173 4.064 3.518 1.00 0.00 C ATOM 504 OG1 THR A 37 28.274 2.685 3.881 1.00 0.00 O ATOM 505 CG2 THR A 37 28.984 4.824 4.580 1.00 0.00 C ATOM 0 H THR A 37 26.665 2.951 1.935 1.00 0.00 H new ATOM 0 HA THR A 37 26.209 4.378 4.383 1.00 0.00 H new ATOM 0 HB THR A 37 28.583 4.294 2.535 1.00 0.00 H new ATOM 0 HG1 THR A 37 27.561 2.461 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.012 4.461 4.581 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.975 5.890 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.541 4.661 5.562 1.00 0.00 H new ATOM 513 N VAL A 38 26.174 6.798 4.152 1.00 0.00 N ATOM 514 CA VAL A 38 25.933 8.270 4.018 1.00 0.00 C ATOM 515 C VAL A 38 27.246 8.996 3.550 1.00 0.00 C ATOM 516 O VAL A 38 28.303 8.861 4.172 1.00 0.00 O ATOM 517 CB VAL A 38 25.329 8.906 5.320 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.982 10.403 5.137 1.00 0.00 C ATOM 519 CG2 VAL A 38 24.040 8.230 5.847 1.00 0.00 C ATOM 0 H VAL A 38 26.125 6.459 5.113 1.00 0.00 H new ATOM 0 HA VAL A 38 25.175 8.414 3.248 1.00 0.00 H new ATOM 0 HB VAL A 38 26.130 8.756 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.568 10.797 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.885 10.957 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.249 10.511 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.703 8.742 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.262 8.286 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.246 7.185 6.079 1.00 0.00 H new ATOM 529 N ALA A 39 27.161 9.720 2.415 1.00 0.00 N ATOM 530 CA ALA A 39 28.348 10.176 1.630 1.00 0.00 C ATOM 531 C ALA A 39 29.243 9.034 1.021 1.00 0.00 C ATOM 532 O ALA A 39 30.470 9.039 1.150 1.00 0.00 O ATOM 533 CB ALA A 39 29.116 11.284 2.385 1.00 0.00 C ATOM 0 H ALA A 39 26.271 10.010 2.009 1.00 0.00 H new ATOM 0 HA ALA A 39 27.954 10.631 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.975 11.599 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.457 12.136 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.458 10.899 3.346 1.00 0.00 H new ATOM 539 N GLY A 40 28.615 8.066 0.324 1.00 0.00 N ATOM 540 CA GLY A 40 29.308 6.833 -0.151 1.00 0.00 C ATOM 541 C GLY A 40 29.782 6.747 -1.620 1.00 0.00 C ATOM 542 O GLY A 40 30.595 5.872 -1.925 1.00 0.00 O ATOM 0 H GLY A 40 27.627 8.107 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.181 6.684 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.638 5.992 0.026 1.00 0.00 H new ATOM 546 N VAL A 41 29.295 7.603 -2.536 1.00 0.00 N ATOM 547 CA VAL A 41 29.720 7.588 -3.969 1.00 0.00 C ATOM 548 C VAL A 41 31.077 8.357 -4.123 1.00 0.00 C ATOM 549 O VAL A 41 31.105 9.586 -4.254 1.00 0.00 O ATOM 550 CB VAL A 41 28.568 8.118 -4.894 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.971 8.239 -6.384 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.297 7.238 -4.861 1.00 0.00 C ATOM 0 H VAL A 41 28.604 8.321 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 41 29.906 6.566 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 41 28.363 9.103 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.124 8.611 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.808 8.931 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.265 7.260 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.543 7.663 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.544 6.230 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.907 7.200 -3.844 1.00 0.00 H new ATOM 562 N ASP A 42 32.198 7.611 -4.153 1.00 0.00 N ATOM 563 CA ASP A 42 33.550 8.181 -4.408 1.00 0.00 C ATOM 564 C ASP A 42 33.697 8.623 -5.906 1.00 0.00 C ATOM 565 O ASP A 42 33.691 7.794 -6.822 1.00 0.00 O ATOM 566 CB ASP A 42 34.585 7.115 -3.958 1.00 0.00 C ATOM 567 CG ASP A 42 36.022 7.629 -3.876 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.290 8.227 -2.677 1.00 0.00 O ATOM 569 OD2 ASP A 42 36.831 7.516 -4.791 1.00 0.00 O ATOM 0 H ASP A 42 32.201 6.602 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 42 33.721 9.093 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.292 6.731 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.551 6.276 -4.653 1.00 0.00 H new ATOM 574 N GLY A 43 33.734 9.943 -6.135 1.00 0.00 N ATOM 575 CA GLY A 43 33.391 10.530 -7.461 1.00 0.00 C ATOM 576 C GLY A 43 32.517 11.798 -7.352 1.00 0.00 C ATOM 577 O GLY A 43 32.913 12.859 -7.835 1.00 0.00 O ATOM 0 H GLY A 43 33.996 10.632 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.311 10.774 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.866 9.784 -8.058 1.00 0.00 H new ATOM 581 N PHE A 44 31.345 11.695 -6.699 1.00 0.00 N ATOM 582 CA PHE A 44 30.553 12.884 -6.290 1.00 0.00 C ATOM 583 C PHE A 44 31.102 13.470 -4.945 1.00 0.00 C ATOM 584 O PHE A 44 31.139 12.775 -3.924 1.00 0.00 O ATOM 585 CB PHE A 44 29.061 12.450 -6.192 1.00 0.00 C ATOM 586 CG PHE A 44 28.066 13.610 -5.998 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.728 14.040 -4.710 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.516 14.266 -7.105 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.871 15.122 -4.531 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.649 15.341 -6.925 1.00 0.00 C ATOM 591 CZ PHE A 44 26.330 15.771 -5.639 1.00 0.00 C ATOM 0 H PHE A 44 30.920 10.804 -6.441 1.00 0.00 H new ATOM 0 HA PHE A 44 30.638 13.685 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.794 11.908 -7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.953 11.753 -5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.135 13.529 -3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.765 13.937 -8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.626 15.458 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.224 15.841 -7.783 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.662 16.609 -5.501 1.00 0.00 H new ATOM 601 N ASN A 45 31.484 14.760 -4.931 1.00 0.00 N ATOM 602 CA ASN A 45 31.811 15.477 -3.666 1.00 0.00 C ATOM 603 C ASN A 45 30.505 15.942 -2.939 1.00 0.00 C ATOM 604 O ASN A 45 29.665 16.637 -3.518 1.00 0.00 O ATOM 605 CB ASN A 45 32.777 16.649 -3.985 1.00 0.00 C ATOM 606 CG ASN A 45 33.391 17.346 -2.758 1.00 0.00 C ATOM 607 OD1 ASN A 45 33.486 16.811 -1.656 1.00 0.00 O ATOM 608 ND2 ASN A 45 33.847 18.564 -2.913 1.00 0.00 N ATOM 0 H ASN A 45 31.576 15.332 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 45 32.318 14.806 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 45 33.586 16.272 -4.611 1.00 0.00 H new ATOM 0 HB3 ASN A 45 32.239 17.392 -4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 45 34.273 19.053 -2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 45 33.776 19.023 -3.821 1.00 0.00 H new ATOM 615 N TYR A 46 30.354 15.543 -1.671 1.00 0.00 N ATOM 616 CA TYR A 46 29.146 15.844 -0.851 1.00 0.00 C ATOM 617 C TYR A 46 29.326 17.137 0.028 1.00 0.00 C ATOM 618 O TYR A 46 30.409 17.726 0.108 1.00 0.00 O ATOM 619 CB TYR A 46 28.844 14.556 -0.017 1.00 0.00 C ATOM 620 CG TYR A 46 28.303 13.332 -0.789 1.00 0.00 C ATOM 621 CD1 TYR A 46 29.181 12.394 -1.345 1.00 0.00 C ATOM 622 CD2 TYR A 46 26.925 13.115 -0.889 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.688 11.256 -1.983 1.00 0.00 C ATOM 624 CE2 TYR A 46 26.436 11.972 -1.513 1.00 0.00 C ATOM 625 CZ TYR A 46 27.315 11.032 -2.048 1.00 0.00 C ATOM 626 OH TYR A 46 26.855 9.859 -2.598 1.00 0.00 O ATOM 0 H TYR A 46 31.059 15.001 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 46 28.291 16.082 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.761 14.258 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.121 14.815 0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.247 12.553 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 46 26.236 13.839 -0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.372 10.548 -2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 46 25.370 11.812 -1.583 1.00 0.00 H new ATOM 0 HH TYR A 46 25.875 9.847 -2.572 1.00 0.00 H new ATOM 636 N SER A 47 28.253 17.588 0.713 1.00 0.00 N ATOM 637 CA SER A 47 28.345 18.689 1.720 1.00 0.00 C ATOM 638 C SER A 47 29.072 18.257 3.039 1.00 0.00 C ATOM 639 O SER A 47 29.073 17.078 3.412 1.00 0.00 O ATOM 640 CB SER A 47 26.913 19.214 1.998 1.00 0.00 C ATOM 641 OG SER A 47 26.962 20.447 2.722 1.00 0.00 O ATOM 0 H SER A 47 27.312 17.214 0.594 1.00 0.00 H new ATOM 0 HA SER A 47 28.963 19.487 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 47 26.384 19.359 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.352 18.473 2.568 1.00 0.00 H new ATOM 0 HG SER A 47 26.239 20.467 3.383 1.00 0.00 H new ATOM 647 N ASP A 48 29.674 19.216 3.768 1.00 0.00 N ATOM 648 CA ASP A 48 30.375 18.937 5.059 1.00 0.00 C ATOM 649 C ASP A 48 29.476 18.304 6.189 1.00 0.00 C ATOM 650 O ASP A 48 29.897 17.257 6.692 1.00 0.00 O ATOM 651 CB ASP A 48 31.158 20.189 5.535 1.00 0.00 C ATOM 652 CG ASP A 48 32.338 20.584 4.646 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.419 20.006 4.650 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.050 21.645 3.842 1.00 0.00 O ATOM 0 H ASP A 48 29.695 20.198 3.493 1.00 0.00 H new ATOM 0 HA ASP A 48 31.091 18.144 4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.468 21.031 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.527 20.007 6.545 1.00 0.00 H new ATOM 659 N PRO A 49 28.254 18.788 6.580 1.00 0.00 N ATOM 660 CA PRO A 49 27.316 17.999 7.430 1.00 0.00 C ATOM 661 C PRO A 49 26.748 16.661 6.847 1.00 0.00 C ATOM 662 O PRO A 49 26.409 15.783 7.638 1.00 0.00 O ATOM 663 CB PRO A 49 26.230 19.023 7.803 1.00 0.00 C ATOM 664 CG PRO A 49 26.302 20.127 6.751 1.00 0.00 C ATOM 665 CD PRO A 49 27.710 20.094 6.163 1.00 0.00 C ATOM 0 HA PRO A 49 27.852 17.584 8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.244 18.558 7.812 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.402 19.426 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.556 19.967 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.094 21.099 7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.689 20.187 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.318 20.916 6.541 1.00 0.00 H new ATOM 673 N MET A 50 26.677 16.467 5.513 1.00 0.00 N ATOM 674 CA MET A 50 26.468 15.117 4.905 1.00 0.00 C ATOM 675 C MET A 50 27.667 14.125 5.115 1.00 0.00 C ATOM 676 O MET A 50 27.449 13.005 5.583 1.00 0.00 O ATOM 677 CB MET A 50 26.063 15.325 3.420 1.00 0.00 C ATOM 678 CG MET A 50 25.628 14.053 2.663 1.00 0.00 C ATOM 679 SD MET A 50 24.218 13.264 3.465 1.00 0.00 S ATOM 680 CE MET A 50 22.856 14.119 2.659 1.00 0.00 C ATOM 0 H MET A 50 26.760 17.220 4.830 1.00 0.00 H new ATOM 0 HA MET A 50 25.659 14.607 5.428 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.246 16.046 3.382 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.906 15.770 2.891 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.368 14.309 1.636 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.461 13.352 2.616 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.974 14.082 3.299 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.133 15.158 2.482 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.635 13.635 1.708 1.00 0.00 H new ATOM 690 N LYS A 51 28.918 14.539 4.829 1.00 0.00 N ATOM 691 CA LYS A 51 30.149 13.776 5.209 1.00 0.00 C ATOM 692 C LYS A 51 30.346 13.513 6.741 1.00 0.00 C ATOM 693 O LYS A 51 30.676 12.387 7.123 1.00 0.00 O ATOM 694 CB LYS A 51 31.390 14.456 4.561 1.00 0.00 C ATOM 695 CG LYS A 51 31.432 14.390 3.014 1.00 0.00 C ATOM 696 CD LYS A 51 32.652 15.047 2.338 1.00 0.00 C ATOM 697 CE LYS A 51 32.676 16.581 2.435 1.00 0.00 C ATOM 698 NZ LYS A 51 33.704 17.136 1.530 1.00 0.00 N ATOM 0 H LYS A 51 29.115 15.407 4.330 1.00 0.00 H new ATOM 0 HA LYS A 51 30.019 12.770 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.415 15.502 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.291 13.987 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.397 13.342 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.530 14.863 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.561 14.651 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.669 14.760 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.697 16.984 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.883 16.884 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.780 18.162 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.621 16.688 1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.435 16.949 0.543 1.00 0.00 H new ATOM 711 N ALA A 52 30.103 14.507 7.614 1.00 0.00 N ATOM 712 CA ALA A 52 30.050 14.300 9.087 1.00 0.00 C ATOM 713 C ALA A 52 28.831 13.521 9.700 1.00 0.00 C ATOM 714 O ALA A 52 28.910 13.145 10.872 1.00 0.00 O ATOM 715 CB ALA A 52 30.151 15.710 9.690 1.00 0.00 C ATOM 0 H ALA A 52 29.938 15.472 7.329 1.00 0.00 H new ATOM 0 HA ALA A 52 30.866 13.622 9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.119 15.644 10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.089 16.171 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.316 16.317 9.339 1.00 0.00 H new ATOM 721 N HIS A 53 27.732 13.263 8.960 1.00 0.00 N ATOM 722 CA HIS A 53 26.562 12.488 9.471 1.00 0.00 C ATOM 723 C HIS A 53 26.874 10.986 9.798 1.00 0.00 C ATOM 724 O HIS A 53 26.632 10.552 10.928 1.00 0.00 O ATOM 725 CB HIS A 53 25.391 12.689 8.465 1.00 0.00 C ATOM 726 CG HIS A 53 24.022 12.157 8.896 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.520 10.917 8.532 1.00 0.00 N ATOM 728 CD2 HIS A 53 23.065 12.877 9.626 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.277 11.000 9.101 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.906 12.136 9.770 1.00 0.00 N ATOM 0 H HIS A 53 27.623 13.580 7.997 1.00 0.00 H new ATOM 0 HA HIS A 53 26.274 12.876 10.448 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.294 13.756 8.263 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.663 12.209 7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 53 23.213 13.871 10.021 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.590 10.170 9.022 1.00 0.00 H new ATOM 0 HE2 HIS A 53 21.030 12.368 10.238 1.00 0.00 H new ATOM 738 N GLY A 54 27.402 10.207 8.833 1.00 0.00 N ATOM 739 CA GLY A 54 27.762 8.785 9.065 1.00 0.00 C ATOM 740 C GLY A 54 26.602 7.761 9.032 1.00 0.00 C ATOM 741 O GLY A 54 25.426 8.090 8.855 1.00 0.00 O ATOM 0 H GLY A 54 27.590 10.534 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.496 8.493 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.253 8.712 10.035 1.00 0.00 H new ATOM 745 N GLY A 55 26.962 6.481 9.195 1.00 0.00 N ATOM 746 CA GLY A 55 25.980 5.367 9.106 1.00 0.00 C ATOM 747 C GLY A 55 25.534 4.990 7.672 1.00 0.00 C ATOM 748 O GLY A 55 26.267 5.187 6.699 1.00 0.00 O ATOM 0 H GLY A 55 27.918 6.182 9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.413 4.485 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.096 5.637 9.684 1.00 0.00 H new ATOM 752 N ASP A 56 24.328 4.418 7.554 1.00 0.00 N ATOM 753 CA ASP A 56 23.782 3.949 6.246 1.00 0.00 C ATOM 754 C ASP A 56 22.331 4.459 5.995 1.00 0.00 C ATOM 755 O ASP A 56 21.542 4.683 6.922 1.00 0.00 O ATOM 756 CB ASP A 56 23.843 2.398 6.147 1.00 0.00 C ATOM 757 CG ASP A 56 25.238 1.759 6.205 1.00 0.00 C ATOM 758 OD1 ASP A 56 26.150 2.004 5.417 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.355 0.881 7.238 1.00 0.00 O ATOM 0 H ASP A 56 23.701 4.263 8.343 1.00 0.00 H new ATOM 0 HA ASP A 56 24.412 4.375 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.244 1.981 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.369 2.098 5.212 1.00 0.00 H new ATOM 764 N TRP A 57 21.957 4.564 4.707 1.00 0.00 N ATOM 765 CA TRP A 57 20.576 4.911 4.276 1.00 0.00 C ATOM 766 C TRP A 57 19.573 3.720 4.402 1.00 0.00 C ATOM 767 O TRP A 57 19.102 3.129 3.425 1.00 0.00 O ATOM 768 CB TRP A 57 20.653 5.490 2.835 1.00 0.00 C ATOM 769 CG TRP A 57 21.188 6.919 2.715 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.371 7.300 2.051 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.676 8.081 3.267 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.601 8.682 2.163 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.551 9.141 2.933 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.564 8.310 4.121 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.332 10.434 3.455 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.384 9.588 4.645 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.258 10.634 4.321 1.00 0.00 C ATOM 0 H TRP A 57 22.599 4.412 3.929 1.00 0.00 H new ATOM 0 HA TRP A 57 20.170 5.665 4.950 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.284 4.835 2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.655 5.459 2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.019 6.616 1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.369 9.223 1.766 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.875 7.513 4.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.984 11.253 3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.556 9.776 5.313 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.097 11.612 4.750 1.00 0.00 H new ATOM 788 N THR A 58 19.212 3.418 5.654 1.00 0.00 N ATOM 789 CA THR A 58 18.162 2.426 6.013 1.00 0.00 C ATOM 790 C THR A 58 16.715 2.926 5.642 1.00 0.00 C ATOM 791 O THR A 58 16.521 4.141 5.495 1.00 0.00 O ATOM 792 CB THR A 58 18.301 2.099 7.539 1.00 0.00 C ATOM 793 OG1 THR A 58 18.103 3.258 8.344 1.00 0.00 O ATOM 794 CG2 THR A 58 19.641 1.468 7.964 1.00 0.00 C ATOM 0 H THR A 58 19.641 3.857 6.468 1.00 0.00 H new ATOM 0 HA THR A 58 18.308 1.517 5.430 1.00 0.00 H new ATOM 0 HB THR A 58 17.521 1.355 7.701 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.195 3.019 9.290 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.631 1.282 9.038 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.784 0.526 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.457 2.148 7.721 1.00 0.00 H new ATOM 802 N PRO A 59 15.655 2.074 5.491 1.00 0.00 N ATOM 803 CA PRO A 59 14.286 2.556 5.133 1.00 0.00 C ATOM 804 C PRO A 59 13.616 3.618 6.072 1.00 0.00 C ATOM 805 O PRO A 59 12.957 4.527 5.564 1.00 0.00 O ATOM 806 CB PRO A 59 13.501 1.244 4.938 1.00 0.00 C ATOM 807 CG PRO A 59 14.290 0.165 5.683 1.00 0.00 C ATOM 808 CD PRO A 59 15.751 0.605 5.594 1.00 0.00 C ATOM 0 HA PRO A 59 14.312 3.179 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.490 1.332 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.408 0.999 3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.965 0.085 6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.145 -0.814 5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.318 0.299 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.250 0.172 4.727 1.00 0.00 H new ATOM 816 N GLU A 60 13.844 3.571 7.400 1.00 0.00 N ATOM 817 CA GLU A 60 13.529 4.709 8.314 1.00 0.00 C ATOM 818 C GLU A 60 14.411 5.994 8.122 1.00 0.00 C ATOM 819 O GLU A 60 13.843 7.088 8.066 1.00 0.00 O ATOM 820 CB GLU A 60 13.502 4.183 9.778 1.00 0.00 C ATOM 821 CG GLU A 60 12.960 5.171 10.849 1.00 0.00 C ATOM 822 CD GLU A 60 11.505 5.612 10.660 1.00 0.00 C ATOM 823 OE1 GLU A 60 10.623 4.736 11.227 1.00 0.00 O ATOM 824 OE2 GLU A 60 11.181 6.629 10.054 1.00 0.00 O ATOM 0 H GLU A 60 14.245 2.761 7.872 1.00 0.00 H new ATOM 0 HA GLU A 60 12.540 5.078 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.894 3.279 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.515 3.895 10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.056 4.706 11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.593 6.058 10.854 1.00 0.00 H new ATOM 831 N ALA A 61 15.755 5.901 7.990 1.00 0.00 N ATOM 832 CA ALA A 61 16.604 7.066 7.593 1.00 0.00 C ATOM 833 C ALA A 61 16.248 7.744 6.225 1.00 0.00 C ATOM 834 O ALA A 61 16.148 8.973 6.164 1.00 0.00 O ATOM 835 CB ALA A 61 18.074 6.609 7.655 1.00 0.00 C ATOM 0 H ALA A 61 16.279 5.040 8.150 1.00 0.00 H new ATOM 0 HA ALA A 61 16.405 7.870 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.724 7.436 7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.314 6.291 8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.225 5.776 6.969 1.00 0.00 H new ATOM 841 N LEU A 62 15.983 6.956 5.162 1.00 0.00 N ATOM 842 CA LEU A 62 15.328 7.455 3.920 1.00 0.00 C ATOM 843 C LEU A 62 13.898 8.058 4.120 1.00 0.00 C ATOM 844 O LEU A 62 13.668 9.163 3.629 1.00 0.00 O ATOM 845 CB LEU A 62 15.315 6.334 2.841 1.00 0.00 C ATOM 846 CG LEU A 62 16.681 5.927 2.229 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.527 4.641 1.403 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.279 7.030 1.335 1.00 0.00 C ATOM 0 H LEU A 62 16.212 5.963 5.133 1.00 0.00 H new ATOM 0 HA LEU A 62 15.934 8.296 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.864 5.445 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.662 6.654 2.029 1.00 0.00 H new ATOM 0 HG LEU A 62 17.364 5.764 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.492 4.364 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.169 3.837 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.811 4.809 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.234 6.694 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.594 7.244 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.432 7.934 1.925 1.00 0.00 H new ATOM 860 N GLN A 63 12.953 7.418 4.848 1.00 0.00 N ATOM 861 CA GLN A 63 11.664 8.073 5.232 1.00 0.00 C ATOM 862 C GLN A 63 11.778 9.426 6.012 1.00 0.00 C ATOM 863 O GLN A 63 11.069 10.372 5.659 1.00 0.00 O ATOM 864 CB GLN A 63 10.710 7.093 5.967 1.00 0.00 C ATOM 865 CG GLN A 63 9.978 6.072 5.055 1.00 0.00 C ATOM 866 CD GLN A 63 8.560 5.733 5.522 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.684 6.594 5.569 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.282 4.501 5.869 1.00 0.00 N ATOM 0 H GLN A 63 13.050 6.459 5.182 1.00 0.00 H new ATOM 0 HA GLN A 63 11.233 8.349 4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.284 6.543 6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.963 7.675 6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.931 6.472 4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.564 5.154 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.007 3.785 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.341 4.258 6.177 1.00 0.00 H new ATOM 877 N GLU A 64 12.659 9.547 7.019 1.00 0.00 N ATOM 878 CA GLU A 64 12.969 10.853 7.673 1.00 0.00 C ATOM 879 C GLU A 64 13.581 11.924 6.706 1.00 0.00 C ATOM 880 O GLU A 64 13.014 13.013 6.574 1.00 0.00 O ATOM 881 CB GLU A 64 13.853 10.606 8.932 1.00 0.00 C ATOM 882 CG GLU A 64 13.208 9.814 10.100 1.00 0.00 C ATOM 883 CD GLU A 64 12.067 10.528 10.824 1.00 0.00 C ATOM 884 OE1 GLU A 64 10.852 10.263 10.270 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.226 11.257 11.797 1.00 0.00 O ATOM 0 H GLU A 64 13.177 8.759 7.407 1.00 0.00 H new ATOM 0 HA GLU A 64 12.022 11.295 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.751 10.074 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.174 11.574 9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.833 8.867 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.984 9.575 10.827 1.00 0.00 H new ATOM 892 N PHE A 65 14.696 11.620 6.011 1.00 0.00 N ATOM 893 CA PHE A 65 15.303 12.537 4.999 1.00 0.00 C ATOM 894 C PHE A 65 14.404 12.904 3.770 1.00 0.00 C ATOM 895 O PHE A 65 14.380 14.066 3.368 1.00 0.00 O ATOM 896 CB PHE A 65 16.661 11.910 4.587 1.00 0.00 C ATOM 897 CG PHE A 65 17.583 12.808 3.743 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.312 13.836 4.349 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.717 12.591 2.367 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.149 14.646 3.587 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.562 13.398 1.609 1.00 0.00 C ATOM 902 CZ PHE A 65 19.269 14.431 2.216 1.00 0.00 C ATOM 0 H PHE A 65 15.204 10.743 6.127 1.00 0.00 H new ATOM 0 HA PHE A 65 15.434 13.514 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.196 11.620 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.463 10.996 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.225 14.002 5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.163 11.795 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.706 15.442 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.668 13.222 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.911 15.066 1.624 1.00 0.00 H new ATOM 912 N LEU A 66 13.654 11.959 3.182 1.00 0.00 N ATOM 913 CA LEU A 66 12.638 12.277 2.136 1.00 0.00 C ATOM 914 C LEU A 66 11.332 12.969 2.656 1.00 0.00 C ATOM 915 O LEU A 66 10.691 13.664 1.867 1.00 0.00 O ATOM 916 CB LEU A 66 12.352 11.019 1.266 1.00 0.00 C ATOM 917 CG LEU A 66 13.574 10.332 0.592 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.165 9.012 -0.076 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.274 11.253 -0.418 1.00 0.00 C ATOM 0 H LEU A 66 13.723 10.966 3.405 1.00 0.00 H new ATOM 0 HA LEU A 66 13.085 13.047 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.852 10.281 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.648 11.302 0.483 1.00 0.00 H new ATOM 0 HG LEU A 66 14.290 10.114 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.038 8.553 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.755 8.336 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.411 9.208 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.120 10.729 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.571 11.535 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.629 12.149 0.092 1.00 0.00 H new ATOM 931 N THR A 67 10.958 12.864 3.951 1.00 0.00 N ATOM 932 CA THR A 67 9.969 13.779 4.598 1.00 0.00 C ATOM 933 C THR A 67 10.451 15.274 4.660 1.00 0.00 C ATOM 934 O THR A 67 9.701 16.152 4.231 1.00 0.00 O ATOM 935 CB THR A 67 9.557 13.232 6.001 1.00 0.00 C ATOM 936 OG1 THR A 67 9.116 11.881 5.928 1.00 0.00 O ATOM 937 CG2 THR A 67 8.387 13.986 6.644 1.00 0.00 C ATOM 0 H THR A 67 11.326 12.150 4.580 1.00 0.00 H new ATOM 0 HA THR A 67 9.083 13.794 3.963 1.00 0.00 H new ATOM 0 HB THR A 67 10.463 13.352 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.821 11.288 6.262 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.161 13.547 7.616 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.657 15.034 6.774 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.510 13.914 6.000 1.00 0.00 H new ATOM 945 N ASN A 68 11.662 15.576 5.180 1.00 0.00 N ATOM 946 CA ASN A 68 12.285 16.925 5.052 1.00 0.00 C ATOM 947 C ASN A 68 13.853 16.775 5.037 1.00 0.00 C ATOM 948 O ASN A 68 14.413 16.419 6.083 1.00 0.00 O ATOM 949 CB ASN A 68 11.778 17.875 6.174 1.00 0.00 C ATOM 950 CG ASN A 68 12.165 19.352 5.979 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.315 19.710 5.742 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.234 20.266 6.093 1.00 0.00 N ATOM 0 H ASN A 68 12.233 14.906 5.695 1.00 0.00 H new ATOM 0 HA ASN A 68 11.988 17.384 4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.692 17.801 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.173 17.532 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.471 21.252 5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.271 19.992 6.290 1.00 0.00 H new ATOM 959 N PRO A 69 14.611 17.052 3.932 1.00 0.00 N ATOM 960 CA PRO A 69 16.082 16.805 3.896 1.00 0.00 C ATOM 961 C PRO A 69 16.988 17.820 4.660 1.00 0.00 C ATOM 962 O PRO A 69 17.862 17.404 5.426 1.00 0.00 O ATOM 963 CB PRO A 69 16.356 16.699 2.386 1.00 0.00 C ATOM 964 CG PRO A 69 15.270 17.534 1.708 1.00 0.00 C ATOM 965 CD PRO A 69 14.042 17.398 2.610 1.00 0.00 C ATOM 0 HA PRO A 69 16.354 15.910 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.349 17.075 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.317 15.662 2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.576 18.576 1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.063 17.169 0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.471 18.326 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.365 16.623 2.250 1.00 0.00 H new ATOM 973 N LYS A 70 16.766 19.129 4.466 1.00 0.00 N ATOM 974 CA LYS A 70 17.487 20.212 5.203 1.00 0.00 C ATOM 975 C LYS A 70 17.179 20.351 6.734 1.00 0.00 C ATOM 976 O LYS A 70 18.059 20.798 7.473 1.00 0.00 O ATOM 977 CB LYS A 70 17.292 21.551 4.440 1.00 0.00 C ATOM 978 CG LYS A 70 18.033 21.640 3.082 1.00 0.00 C ATOM 979 CD LYS A 70 17.749 22.954 2.332 1.00 0.00 C ATOM 980 CE LYS A 70 18.540 23.042 1.017 1.00 0.00 C ATOM 981 NZ LYS A 70 18.181 24.269 0.282 1.00 0.00 N ATOM 0 H LYS A 70 16.083 19.481 3.795 1.00 0.00 H new ATOM 0 HA LYS A 70 18.536 19.917 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.227 21.702 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.631 22.368 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.106 21.549 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.737 20.798 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.682 23.029 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.008 23.800 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.609 23.036 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.332 22.167 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.724 24.314 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.164 24.259 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.402 25.101 0.866 1.00 0.00 H new ATOM 994 N ALA A 71 15.995 19.946 7.238 1.00 0.00 N ATOM 995 CA ALA A 71 15.795 19.679 8.690 1.00 0.00 C ATOM 996 C ALA A 71 16.577 18.452 9.278 1.00 0.00 C ATOM 997 O ALA A 71 17.119 18.561 10.380 1.00 0.00 O ATOM 998 CB ALA A 71 14.279 19.555 8.927 1.00 0.00 C ATOM 0 H ALA A 71 15.162 19.795 6.669 1.00 0.00 H new ATOM 0 HA ALA A 71 16.227 20.517 9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.091 19.359 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.788 20.484 8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.883 18.734 8.329 1.00 0.00 H new ATOM 1004 N VAL A 72 16.650 17.308 8.564 1.00 0.00 N ATOM 1005 CA VAL A 72 17.444 16.114 9.002 1.00 0.00 C ATOM 1006 C VAL A 72 18.992 16.345 8.892 1.00 0.00 C ATOM 1007 O VAL A 72 19.683 16.234 9.909 1.00 0.00 O ATOM 1008 CB VAL A 72 16.909 14.819 8.287 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.769 13.549 8.508 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.472 14.452 8.724 1.00 0.00 C ATOM 0 H VAL A 72 16.169 17.175 7.674 1.00 0.00 H new ATOM 0 HA VAL A 72 17.291 15.957 10.070 1.00 0.00 H new ATOM 0 HB VAL A 72 16.950 15.099 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.321 12.709 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.777 13.722 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.815 13.322 9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.152 13.551 8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.453 14.273 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.797 15.272 8.481 1.00 0.00 H new ATOM 1020 N VAL A 73 19.541 16.650 7.698 1.00 0.00 N ATOM 1021 CA VAL A 73 20.975 17.046 7.555 1.00 0.00 C ATOM 1022 C VAL A 73 21.009 18.604 7.426 1.00 0.00 C ATOM 1023 O VAL A 73 20.763 19.160 6.349 1.00 0.00 O ATOM 1024 CB VAL A 73 21.690 16.304 6.373 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.179 16.707 6.243 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.654 14.760 6.475 1.00 0.00 C ATOM 0 H VAL A 73 19.024 16.633 6.819 1.00 0.00 H new ATOM 0 HA VAL A 73 21.546 16.740 8.432 1.00 0.00 H new ATOM 0 HB VAL A 73 21.117 16.617 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.631 16.167 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.251 17.779 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.705 16.459 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.170 14.327 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.148 14.444 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.618 14.420 6.484 1.00 0.00 H new ATOM 1036 N LYS A 74 21.339 19.306 8.527 1.00 0.00 N ATOM 1037 CA LYS A 74 21.336 20.795 8.560 1.00 0.00 C ATOM 1038 C LYS A 74 22.568 21.393 7.801 1.00 0.00 C ATOM 1039 O LYS A 74 23.694 21.396 8.306 1.00 0.00 O ATOM 1040 CB LYS A 74 21.216 21.235 10.045 1.00 0.00 C ATOM 1041 CG LYS A 74 20.874 22.726 10.282 1.00 0.00 C ATOM 1042 CD LYS A 74 19.426 23.111 9.892 1.00 0.00 C ATOM 1043 CE LYS A 74 19.027 24.557 10.236 1.00 0.00 C ATOM 1044 NZ LYS A 74 19.687 25.539 9.353 1.00 0.00 N ATOM 0 H LYS A 74 21.612 18.873 9.409 1.00 0.00 H new ATOM 0 HA LYS A 74 20.479 21.198 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.449 20.626 10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.158 21.014 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.030 22.961 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.569 23.342 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.301 22.960 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.737 22.430 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.945 24.664 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.289 24.768 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.390 26.500 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.719 25.456 9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.417 25.355 8.366 1.00 0.00 H new ATOM 1057 N GLY A 75 22.335 21.847 6.558 1.00 0.00 N ATOM 1058 CA GLY A 75 23.426 22.148 5.586 1.00 0.00 C ATOM 1059 C GLY A 75 23.684 21.148 4.425 1.00 0.00 C ATOM 1060 O GLY A 75 24.748 21.222 3.800 1.00 0.00 O ATOM 0 H GLY A 75 21.399 22.018 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.216 23.122 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.354 22.247 6.150 1.00 0.00 H new ATOM 1064 N THR A 76 22.737 20.256 4.078 1.00 0.00 N ATOM 1065 CA THR A 76 22.769 19.516 2.785 1.00 0.00 C ATOM 1066 C THR A 76 22.437 20.442 1.573 1.00 0.00 C ATOM 1067 O THR A 76 21.484 21.226 1.598 1.00 0.00 O ATOM 1068 CB THR A 76 21.868 18.242 2.822 1.00 0.00 C ATOM 1069 OG1 THR A 76 22.044 17.478 1.633 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.351 18.455 2.958 1.00 0.00 C ATOM 0 H THR A 76 21.938 20.025 4.668 1.00 0.00 H new ATOM 0 HA THR A 76 23.793 19.171 2.640 1.00 0.00 H new ATOM 0 HB THR A 76 22.206 17.747 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.475 16.681 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.848 17.488 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.140 18.986 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.989 19.042 2.114 1.00 0.00 H new ATOM 1078 N LYS A 77 23.195 20.285 0.480 1.00 0.00 N ATOM 1079 CA LYS A 77 22.837 20.894 -0.838 1.00 0.00 C ATOM 1080 C LYS A 77 21.645 20.246 -1.639 1.00 0.00 C ATOM 1081 O LYS A 77 21.372 20.682 -2.762 1.00 0.00 O ATOM 1082 CB LYS A 77 24.139 21.048 -1.676 1.00 0.00 C ATOM 1083 CG LYS A 77 24.903 19.752 -2.035 1.00 0.00 C ATOM 1084 CD LYS A 77 26.120 20.002 -2.940 1.00 0.00 C ATOM 1085 CE LYS A 77 26.959 18.729 -3.105 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.109 18.985 -3.989 1.00 0.00 N ATOM 0 H LYS A 77 24.061 19.746 0.467 1.00 0.00 H new ATOM 0 HA LYS A 77 22.404 21.869 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.885 21.559 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.819 21.701 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.234 19.266 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.222 19.062 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.785 20.349 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.736 20.794 -2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.309 18.388 -2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.343 17.931 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.783 18.196 -3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.779 19.073 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.579 19.867 -3.701 1.00 0.00 H new ATOM 1099 N MET A 78 20.894 19.270 -1.079 1.00 0.00 N ATOM 1100 CA MET A 78 19.650 18.742 -1.698 1.00 0.00 C ATOM 1101 C MET A 78 18.473 19.766 -1.580 1.00 0.00 C ATOM 1102 O MET A 78 17.737 19.791 -0.586 1.00 0.00 O ATOM 1103 CB MET A 78 19.352 17.336 -1.095 1.00 0.00 C ATOM 1104 CG MET A 78 18.060 16.684 -1.637 1.00 0.00 C ATOM 1105 SD MET A 78 18.174 14.863 -1.868 1.00 0.00 S ATOM 1106 CE MET A 78 16.572 14.478 -1.064 1.00 0.00 C ATOM 0 H MET A 78 21.129 18.827 -0.191 1.00 0.00 H new ATOM 0 HA MET A 78 19.780 18.610 -2.772 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.195 16.676 -1.302 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.276 17.425 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.241 16.901 -0.951 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.807 17.145 -2.592 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.390 13.404 -1.110 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.602 14.796 -0.022 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.770 15.004 -1.581 1.00 0.00 H new ATOM 1116 N ALA A 79 18.278 20.580 -2.636 1.00 0.00 N ATOM 1117 CA ALA A 79 17.150 21.545 -2.716 1.00 0.00 C ATOM 1118 C ALA A 79 15.785 20.878 -3.107 1.00 0.00 C ATOM 1119 O ALA A 79 15.239 21.064 -4.199 1.00 0.00 O ATOM 1120 CB ALA A 79 17.612 22.665 -3.669 1.00 0.00 C ATOM 0 H ALA A 79 18.888 20.592 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 79 16.923 21.964 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.821 23.408 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.507 23.139 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.836 22.241 -4.648 1.00 0.00 H new ATOM 1126 N PHE A 80 15.241 20.102 -2.159 1.00 0.00 N ATOM 1127 CA PHE A 80 13.950 19.386 -2.298 1.00 0.00 C ATOM 1128 C PHE A 80 13.090 19.692 -1.031 1.00 0.00 C ATOM 1129 O PHE A 80 13.553 19.539 0.104 1.00 0.00 O ATOM 1130 CB PHE A 80 14.266 17.874 -2.498 1.00 0.00 C ATOM 1131 CG PHE A 80 13.041 16.961 -2.676 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.322 16.966 -3.876 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.599 16.161 -1.615 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.165 16.203 -4.005 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.443 15.397 -1.747 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.720 15.428 -2.937 1.00 0.00 C ATOM 0 H PHE A 80 15.688 19.947 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 80 13.369 19.710 -3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.908 17.767 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.837 17.523 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.666 17.565 -4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.157 16.137 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.613 16.212 -4.933 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.107 14.780 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.813 14.850 -3.032 1.00 0.00 H new ATOM 1146 N ALA A 81 11.822 20.095 -1.221 1.00 0.00 N ATOM 1147 CA ALA A 81 10.905 20.404 -0.089 1.00 0.00 C ATOM 1148 C ALA A 81 10.528 19.195 0.832 1.00 0.00 C ATOM 1149 O ALA A 81 10.733 19.277 2.047 1.00 0.00 O ATOM 1150 CB ALA A 81 9.681 21.125 -0.688 1.00 0.00 C ATOM 0 H ALA A 81 11.401 20.217 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 81 11.432 21.048 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.979 21.372 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.004 22.040 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.193 20.473 -1.413 1.00 0.00 H new ATOM 1156 N GLY A 82 9.996 18.094 0.270 1.00 0.00 N ATOM 1157 CA GLY A 82 9.617 16.901 1.068 1.00 0.00 C ATOM 1158 C GLY A 82 8.408 16.100 0.538 1.00 0.00 C ATOM 1159 O GLY A 82 7.503 16.626 -0.116 1.00 0.00 O ATOM 0 H GLY A 82 9.817 18.000 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.477 16.234 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.399 17.222 2.087 1.00 0.00 H new ATOM 1163 N LEU A 83 8.377 14.812 0.896 1.00 0.00 N ATOM 1164 CA LEU A 83 7.228 13.906 0.632 1.00 0.00 C ATOM 1165 C LEU A 83 6.421 13.685 1.964 1.00 0.00 C ATOM 1166 O LEU A 83 6.831 12.831 2.763 1.00 0.00 O ATOM 1167 CB LEU A 83 7.753 12.560 0.045 1.00 0.00 C ATOM 1168 CG LEU A 83 8.388 12.569 -1.369 1.00 0.00 C ATOM 1169 CD1 LEU A 83 8.952 11.180 -1.711 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.401 12.992 -2.470 1.00 0.00 C ATOM 0 H LEU A 83 9.149 14.355 1.381 1.00 0.00 H new ATOM 0 HA LEU A 83 6.554 14.351 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.494 12.162 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.920 11.857 0.030 1.00 0.00 H new ATOM 0 HG LEU A 83 9.187 13.309 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.395 11.202 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.714 10.907 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.148 10.445 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.906 12.978 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.560 12.299 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.037 13.999 -2.265 1.00 0.00 H new ATOM 1182 N PRO A 84 5.283 14.385 2.265 1.00 0.00 N ATOM 1183 CA PRO A 84 4.517 14.171 3.533 1.00 0.00 C ATOM 1184 C PRO A 84 3.738 12.820 3.693 1.00 0.00 C ATOM 1185 O PRO A 84 3.665 12.292 4.808 1.00 0.00 O ATOM 1186 CB PRO A 84 3.620 15.425 3.584 1.00 0.00 C ATOM 1187 CG PRO A 84 3.435 15.854 2.127 1.00 0.00 C ATOM 1188 CD PRO A 84 4.768 15.513 1.460 1.00 0.00 C ATOM 0 HA PRO A 84 5.192 14.059 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.661 15.203 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.086 16.217 4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.608 15.322 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.213 16.918 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.633 15.231 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.452 16.361 1.475 1.00 0.00 H new ATOM 1196 N LYS A 85 3.204 12.241 2.605 1.00 0.00 N ATOM 1197 CA LYS A 85 2.482 10.942 2.631 1.00 0.00 C ATOM 1198 C LYS A 85 3.458 9.719 2.677 1.00 0.00 C ATOM 1199 O LYS A 85 4.396 9.609 1.877 1.00 0.00 O ATOM 1200 CB LYS A 85 1.556 10.862 1.379 1.00 0.00 C ATOM 1201 CG LYS A 85 0.200 11.608 1.446 1.00 0.00 C ATOM 1202 CD LYS A 85 0.283 13.148 1.399 1.00 0.00 C ATOM 1203 CE LYS A 85 -1.102 13.806 1.328 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.960 15.276 1.324 1.00 0.00 N ATOM 0 H LYS A 85 3.257 12.656 1.675 1.00 0.00 H new ATOM 0 HA LYS A 85 1.888 10.894 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.111 11.249 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.352 9.810 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.421 11.270 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.309 11.317 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.809 13.508 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.871 13.451 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.624 13.480 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.707 13.493 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.901 15.716 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.480 15.581 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.399 15.568 0.499 1.00 0.00 H new ATOM 1217 N ILE A 86 3.178 8.759 3.580 1.00 0.00 N ATOM 1218 CA ILE A 86 3.889 7.441 3.629 1.00 0.00 C ATOM 1219 C ILE A 86 3.865 6.594 2.313 1.00 0.00 C ATOM 1220 O ILE A 86 4.918 6.085 1.931 1.00 0.00 O ATOM 1221 CB ILE A 86 3.471 6.626 4.909 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.380 5.377 5.115 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.971 6.221 4.951 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.377 4.759 6.522 1.00 0.00 C ATOM 0 H ILE A 86 2.460 8.862 4.297 1.00 0.00 H new ATOM 0 HA ILE A 86 4.946 7.692 3.713 1.00 0.00 H new ATOM 0 HB ILE A 86 3.619 7.317 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.074 4.610 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.404 5.654 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.770 5.663 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.351 7.117 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.738 5.598 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.045 3.898 6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.717 5.500 7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.366 4.440 6.777 1.00 0.00 H new ATOM 1236 N GLU A 87 2.717 6.460 1.620 1.00 0.00 N ATOM 1237 CA GLU A 87 2.632 5.738 0.315 1.00 0.00 C ATOM 1238 C GLU A 87 3.624 6.213 -0.799 1.00 0.00 C ATOM 1239 O GLU A 87 4.308 5.373 -1.378 1.00 0.00 O ATOM 1240 CB GLU A 87 1.152 5.654 -0.152 1.00 0.00 C ATOM 1241 CG GLU A 87 0.444 6.980 -0.545 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.981 6.794 -1.058 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.890 6.715 -0.042 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.263 6.724 -2.250 1.00 0.00 O ATOM 0 H GLU A 87 1.826 6.841 1.937 1.00 0.00 H new ATOM 0 HA GLU A 87 2.993 4.727 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.108 4.983 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.574 5.189 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.424 7.640 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.033 7.481 -1.313 1.00 0.00 H new ATOM 1251 N ASP A 88 3.785 7.530 -1.038 1.00 0.00 N ATOM 1252 CA ASP A 88 4.869 8.072 -1.916 1.00 0.00 C ATOM 1253 C ASP A 88 6.324 7.679 -1.490 1.00 0.00 C ATOM 1254 O ASP A 88 7.087 7.210 -2.337 1.00 0.00 O ATOM 1255 CB ASP A 88 4.721 9.614 -2.039 1.00 0.00 C ATOM 1256 CG ASP A 88 3.486 10.103 -2.796 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.392 10.213 -1.992 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.480 10.369 -3.993 1.00 0.00 O ATOM 0 H ASP A 88 3.181 8.249 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 88 4.732 7.599 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.702 10.040 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.608 10.007 -2.535 1.00 0.00 H new ATOM 1263 N ARG A 89 6.691 7.818 -0.201 1.00 0.00 N ATOM 1264 CA ARG A 89 8.000 7.333 0.332 1.00 0.00 C ATOM 1265 C ARG A 89 8.191 5.775 0.288 1.00 0.00 C ATOM 1266 O ARG A 89 9.203 5.308 -0.234 1.00 0.00 O ATOM 1267 CB ARG A 89 8.241 7.878 1.768 1.00 0.00 C ATOM 1268 CG ARG A 89 8.106 9.410 1.979 1.00 0.00 C ATOM 1269 CD ARG A 89 8.569 9.945 3.348 1.00 0.00 C ATOM 1270 NE ARG A 89 7.834 9.310 4.482 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.779 9.816 5.113 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.261 10.986 4.851 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.229 9.093 6.041 1.00 0.00 N ATOM 0 H ARG A 89 6.102 8.264 0.502 1.00 0.00 H new ATOM 0 HA ARG A 89 8.754 7.732 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.540 7.382 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.243 7.582 2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.677 9.916 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.061 9.686 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.638 9.764 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.423 11.025 3.382 1.00 0.00 H new ATOM 0 HE ARG A 89 8.173 8.403 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.668 11.572 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.449 11.313 5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.608 8.172 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.418 9.446 6.549 1.00 0.00 H new ATOM 1287 N ALA A 90 7.232 4.981 0.804 1.00 0.00 N ATOM 1288 CA ALA A 90 7.232 3.497 0.696 1.00 0.00 C ATOM 1289 C ALA A 90 7.211 2.892 -0.746 1.00 0.00 C ATOM 1290 O ALA A 90 8.009 1.992 -1.029 1.00 0.00 O ATOM 1291 CB ALA A 90 6.038 3.021 1.545 1.00 0.00 C ATOM 0 H ALA A 90 6.427 5.348 1.312 1.00 0.00 H new ATOM 0 HA ALA A 90 8.192 3.130 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.978 1.933 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.174 3.344 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.117 3.448 1.149 1.00 0.00 H new ATOM 1297 N ASN A 91 6.361 3.394 -1.668 1.00 0.00 N ATOM 1298 CA ASN A 91 6.438 3.062 -3.122 1.00 0.00 C ATOM 1299 C ASN A 91 7.824 3.386 -3.787 1.00 0.00 C ATOM 1300 O ASN A 91 8.424 2.521 -4.431 1.00 0.00 O ATOM 1301 CB ASN A 91 5.279 3.769 -3.889 1.00 0.00 C ATOM 1302 CG ASN A 91 3.831 3.338 -3.616 1.00 0.00 C ATOM 1303 OD1 ASN A 91 2.873 4.184 -3.909 1.00 0.00 O flip ATOM 1304 ND2 ASN A 91 3.521 2.235 -3.186 1.00 0.00 N flip ATOM 0 H ASN A 91 5.604 4.037 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 91 6.331 1.980 -3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.349 4.836 -3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.464 3.641 -4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.246 1.557 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.538 1.993 -3.064 1.00 0.00 H new ATOM 1311 N LEU A 92 8.346 4.613 -3.593 1.00 0.00 N ATOM 1312 CA LEU A 92 9.743 4.995 -3.946 1.00 0.00 C ATOM 1313 C LEU A 92 10.884 4.111 -3.335 1.00 0.00 C ATOM 1314 O LEU A 92 11.755 3.667 -4.085 1.00 0.00 O ATOM 1315 CB LEU A 92 9.845 6.500 -3.583 1.00 0.00 C ATOM 1316 CG LEU A 92 11.188 7.220 -3.832 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.588 7.239 -5.314 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.089 8.657 -3.308 1.00 0.00 C ATOM 0 H LEU A 92 7.812 5.379 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 92 9.920 4.811 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.074 7.030 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.602 6.605 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 92 11.962 6.665 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.540 7.758 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.687 6.216 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.822 7.756 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.034 9.173 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.289 9.181 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.874 8.641 -2.240 1.00 0.00 H new ATOM 1330 N ILE A 93 10.877 3.822 -2.018 1.00 0.00 N ATOM 1331 CA ILE A 93 11.822 2.844 -1.381 1.00 0.00 C ATOM 1332 C ILE A 93 11.707 1.387 -1.971 1.00 0.00 C ATOM 1333 O ILE A 93 12.751 0.791 -2.243 1.00 0.00 O ATOM 1334 CB ILE A 93 11.751 2.963 0.188 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.236 4.354 0.715 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.548 1.857 0.933 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.761 4.724 2.132 1.00 0.00 C ATOM 0 H ILE A 93 10.227 4.249 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 93 12.843 3.114 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 93 10.691 2.839 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.326 4.370 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.896 5.125 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.454 2.003 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.151 0.878 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.599 1.913 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.151 5.705 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.672 4.748 2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.123 3.981 2.843 1.00 0.00 H new ATOM 1349 N ALA A 94 10.502 0.836 -2.243 1.00 0.00 N ATOM 1350 CA ALA A 94 10.349 -0.374 -3.107 1.00 0.00 C ATOM 1351 C ALA A 94 10.969 -0.299 -4.546 1.00 0.00 C ATOM 1352 O ALA A 94 11.624 -1.255 -4.966 1.00 0.00 O ATOM 1353 CB ALA A 94 8.854 -0.738 -3.161 1.00 0.00 C ATOM 0 H ALA A 94 9.621 1.202 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 94 10.945 -1.156 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.717 -1.620 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.494 -0.948 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.291 0.096 -3.581 1.00 0.00 H new ATOM 1359 N TYR A 95 10.812 0.817 -5.285 1.00 0.00 N ATOM 1360 CA TYR A 95 11.574 1.075 -6.546 1.00 0.00 C ATOM 1361 C TYR A 95 13.133 1.185 -6.395 1.00 0.00 C ATOM 1362 O TYR A 95 13.858 0.578 -7.186 1.00 0.00 O ATOM 1363 CB TYR A 95 10.921 2.303 -7.240 1.00 0.00 C ATOM 1364 CG TYR A 95 11.468 2.663 -8.632 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.360 1.759 -9.696 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.096 3.895 -8.840 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.898 2.073 -10.942 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.612 4.214 -10.093 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.522 3.302 -11.139 1.00 0.00 C ATOM 1370 OH TYR A 95 13.045 3.623 -12.362 1.00 0.00 O ATOM 0 H TYR A 95 10.163 1.564 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 95 11.493 0.191 -7.179 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.851 2.118 -7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 95 11.041 3.169 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.857 0.814 -9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.181 4.601 -8.027 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.831 1.364 -11.754 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.083 5.172 -10.253 1.00 0.00 H new ATOM 0 HH TYR A 95 13.442 4.518 -12.323 1.00 0.00 H new ATOM 1380 N LEU A 96 13.647 1.911 -5.388 1.00 0.00 N ATOM 1381 CA LEU A 96 15.096 1.892 -5.014 1.00 0.00 C ATOM 1382 C LEU A 96 15.661 0.515 -4.488 1.00 0.00 C ATOM 1383 O LEU A 96 16.848 0.243 -4.681 1.00 0.00 O ATOM 1384 CB LEU A 96 15.323 3.041 -3.987 1.00 0.00 C ATOM 1385 CG LEU A 96 15.015 4.503 -4.430 1.00 0.00 C ATOM 1386 CD1 LEU A 96 14.945 5.446 -3.217 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.032 5.029 -5.454 1.00 0.00 C ATOM 0 H LEU A 96 13.083 2.529 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 96 15.669 2.042 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.715 2.825 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.365 3.003 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 96 14.040 4.482 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.729 6.459 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.156 5.113 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.900 5.435 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.774 6.051 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.030 5.013 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.014 4.397 -6.342 1.00 0.00 H new ATOM 1399 N GLU A 97 14.843 -0.365 -3.869 1.00 0.00 N ATOM 1400 CA GLU A 97 15.140 -1.829 -3.755 1.00 0.00 C ATOM 1401 C GLU A 97 15.091 -2.616 -5.115 1.00 0.00 C ATOM 1402 O GLU A 97 15.987 -3.421 -5.377 1.00 0.00 O ATOM 1403 CB GLU A 97 14.195 -2.492 -2.712 1.00 0.00 C ATOM 1404 CG GLU A 97 14.400 -2.054 -1.242 1.00 0.00 C ATOM 1405 CD GLU A 97 13.441 -2.711 -0.254 1.00 0.00 C ATOM 1406 OE1 GLU A 97 12.215 -2.117 -0.247 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.741 -3.659 0.464 1.00 0.00 O ATOM 0 H GLU A 97 13.962 -0.093 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 97 16.175 -1.891 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.165 -2.277 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.322 -3.573 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.423 -2.284 -0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.285 -0.972 -1.178 1.00 0.00 H new ATOM 1414 N GLY A 98 14.077 -2.392 -5.980 1.00 0.00 N ATOM 1415 CA GLY A 98 14.055 -2.913 -7.379 1.00 0.00 C ATOM 1416 C GLY A 98 15.270 -2.585 -8.282 1.00 0.00 C ATOM 1417 O GLY A 98 15.905 -3.508 -8.797 1.00 0.00 O ATOM 0 H GLY A 98 13.250 -1.847 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.953 -3.997 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.159 -2.529 -7.867 1.00 0.00 H new ATOM 1421 N GLN A 99 15.631 -1.298 -8.431 1.00 0.00 N ATOM 1422 CA GLN A 99 16.990 -0.915 -8.908 1.00 0.00 C ATOM 1423 C GLN A 99 18.028 -0.886 -7.734 1.00 0.00 C ATOM 1424 O GLN A 99 18.421 0.176 -7.233 1.00 0.00 O ATOM 1425 CB GLN A 99 16.904 0.409 -9.714 1.00 0.00 C ATOM 1426 CG GLN A 99 18.236 0.944 -10.309 1.00 0.00 C ATOM 1427 CD GLN A 99 18.983 0.088 -11.343 1.00 0.00 C ATOM 1428 OE1 GLN A 99 18.803 0.231 -12.550 1.00 0.00 O ATOM 1429 NE2 GLN A 99 19.891 -0.775 -10.942 1.00 0.00 N ATOM 0 H GLN A 99 15.016 -0.508 -8.233 1.00 0.00 H new ATOM 0 HA GLN A 99 17.368 -1.677 -9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.198 0.266 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.487 1.178 -9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 99 18.027 1.910 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 99 18.918 1.128 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 99 20.059 -0.912 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.427 -1.307 -11.628 1.00 0.00 H new ATOM 1438 N GLN A 100 18.535 -2.078 -7.386 1.00 0.00 N ATOM 1439 CA GLN A 100 19.853 -2.224 -6.725 1.00 0.00 C ATOM 1440 C GLN A 100 20.930 -2.395 -7.829 1.00 0.00 C ATOM 1441 O GLN A 100 21.428 -3.520 -8.065 1.00 0.00 O ATOM 1442 CB GLN A 100 19.785 -3.337 -5.644 1.00 0.00 C ATOM 1443 CG GLN A 100 19.144 -2.892 -4.293 1.00 0.00 C ATOM 1444 CD GLN A 100 18.755 -3.989 -3.293 1.00 0.00 C ATOM 1445 OE1 GLN A 100 17.658 -4.008 -2.744 1.00 0.00 O ATOM 1446 NE2 GLN A 100 19.634 -4.908 -2.970 1.00 0.00 N ATOM 1447 OXT GLN A 100 21.268 -1.376 -8.482 1.00 0.00 O ATOM 0 H GLN A 100 18.054 -2.963 -7.550 1.00 0.00 H new ATOM 0 HA GLN A 100 20.144 -1.337 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.216 -4.177 -6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 100 20.795 -3.699 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.842 -2.218 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.249 -2.313 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 100 20.553 -4.913 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.398 -5.618 -2.276 1.00 0.00 H new