USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 92 ASN :FLIP amide:sc= 0 X(o=0.5,f=0.86) USER MOD Set 1.2: A 93 GLN : amide:sc= 0.859 X(o=0.86,f=0.5) USER MOD Single : A 30 SER OG : rot 122:sc= 1.02 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -77:sc= 0.747 USER MOD Single : A 44 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 46 SER OG : rot 75:sc= 1.17 USER MOD Single : A 49 ASN : amide:sc= 1.49 K(o=1.5,f=-0.029) USER MOD Single : A 58 MET CE :methyl -168:sc= -1.51 (180deg=-1.93) USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= 2.11 (180deg=-0.318) USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 1.05 (180deg=0.83) USER MOD Single : A 65 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 77 SER OG : rot -103:sc= 2.01 USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0.471 (180deg=-0.066) USER MOD Single : A 86 HIS : no HE2:sc= 0.558 K(o=0.56,f=-3.1!) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0.625 (180deg=0.548) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0756 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.813 10.787 4.818 1.00 0.00 N ATOM 36 CA SER A 30 5.510 10.798 3.380 1.00 0.00 C ATOM 37 C SER A 30 4.116 11.337 3.018 1.00 0.00 C ATOM 38 O SER A 30 3.914 11.813 1.902 1.00 0.00 O ATOM 39 CB SER A 30 5.596 9.369 2.835 1.00 0.00 C ATOM 40 OG SER A 30 6.795 8.724 3.234 1.00 0.00 O ATOM 0 HA SER A 30 6.245 11.471 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.740 8.794 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.540 9.391 1.747 1.00 0.00 H new ATOM 0 HG SER A 30 6.578 7.903 3.724 1.00 0.00 H new ATOM 46 N ASN A 31 3.143 11.226 3.935 1.00 0.00 N ATOM 47 CA ASN A 31 1.711 11.530 3.760 1.00 0.00 C ATOM 48 C ASN A 31 1.018 10.766 2.600 1.00 0.00 C ATOM 49 O ASN A 31 -0.107 11.109 2.233 1.00 0.00 O ATOM 50 CB ASN A 31 1.483 13.051 3.645 1.00 0.00 C ATOM 51 CG ASN A 31 2.272 13.881 4.645 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.256 13.649 5.851 1.00 0.00 O ATOM 53 ND2 ASN A 31 2.988 14.880 4.183 1.00 0.00 N ATOM 0 H ASN A 31 3.346 10.901 4.880 1.00 0.00 H new ATOM 0 HA ASN A 31 1.227 11.160 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.747 13.371 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.421 13.258 3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.528 15.460 4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.004 15.076 3.182 1.00 0.00 H new ATOM 60 N THR A 32 1.660 9.746 2.004 1.00 0.00 N ATOM 61 CA THR A 32 1.246 9.181 0.693 1.00 0.00 C ATOM 62 C THR A 32 1.538 7.685 0.440 1.00 0.00 C ATOM 63 O THR A 32 1.514 7.301 -0.726 1.00 0.00 O ATOM 64 CB THR A 32 1.934 9.991 -0.432 1.00 0.00 C ATOM 65 OG1 THR A 32 3.337 9.976 -0.264 1.00 0.00 O ATOM 66 CG2 THR A 32 1.496 11.450 -0.541 1.00 0.00 C ATOM 0 H THR A 32 2.476 9.287 2.409 1.00 0.00 H new ATOM 0 HA THR A 32 0.159 9.258 0.703 1.00 0.00 H new ATOM 0 HB THR A 32 1.624 9.492 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.588 10.598 0.450 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.034 11.931 -1.357 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.425 11.495 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.716 11.967 0.393 1.00 0.00 H new ATOM 74 N ARG A 33 1.814 6.801 1.423 1.00 0.00 N ATOM 75 CA ARG A 33 2.343 5.445 1.093 1.00 0.00 C ATOM 76 C ARG A 33 1.787 4.270 1.880 1.00 0.00 C ATOM 77 O ARG A 33 1.775 4.207 3.104 1.00 0.00 O ATOM 78 CB ARG A 33 3.856 5.344 1.266 1.00 0.00 C ATOM 79 CG ARG A 33 4.733 5.973 0.212 1.00 0.00 C ATOM 80 CD ARG A 33 6.127 6.307 0.747 1.00 0.00 C ATOM 81 NE ARG A 33 6.988 6.800 -0.336 1.00 0.00 N ATOM 82 CZ ARG A 33 7.852 7.796 -0.329 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.153 8.497 0.719 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.434 8.105 -1.450 1.00 0.00 N ATOM 0 H ARG A 33 1.688 6.984 2.418 1.00 0.00 H new ATOM 0 HA ARG A 33 2.014 5.361 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.113 5.793 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.115 4.287 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.824 5.294 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.259 6.883 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.051 7.060 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.572 5.420 1.199 1.00 0.00 H new ATOM 0 HE ARG A 33 6.906 6.300 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.710 8.291 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.833 9.254 0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.217 7.582 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.108 8.870 -1.481 1.00 0.00 H new ATOM 98 N LEU A 34 1.463 3.235 1.135 1.00 0.00 N ATOM 99 CA LEU A 34 0.729 2.097 1.629 1.00 0.00 C ATOM 100 C LEU A 34 1.648 0.876 1.677 1.00 0.00 C ATOM 101 O LEU A 34 1.978 0.284 0.654 1.00 0.00 O ATOM 102 CB LEU A 34 -0.547 1.913 0.806 1.00 0.00 C ATOM 103 CG LEU A 34 -1.350 3.177 0.392 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.523 4.273 1.445 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.795 3.789 -0.889 1.00 0.00 C ATOM 0 H LEU A 34 1.709 3.163 0.148 1.00 0.00 H new ATOM 0 HA LEU A 34 0.396 2.253 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.280 1.377 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.216 1.266 1.372 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.354 2.779 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.102 5.095 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.047 3.867 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.544 4.639 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.378 4.672 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.246 4.074 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.856 3.060 -1.697 1.00 0.00 H new ATOM 117 N PHE A 35 2.081 0.567 2.898 1.00 0.00 N ATOM 118 CA PHE A 35 3.047 -0.458 3.281 1.00 0.00 C ATOM 119 C PHE A 35 2.221 -1.725 3.478 1.00 0.00 C ATOM 120 O PHE A 35 1.468 -1.913 4.433 1.00 0.00 O ATOM 121 CB PHE A 35 3.845 0.056 4.490 1.00 0.00 C ATOM 122 CG PHE A 35 4.875 -0.887 5.115 1.00 0.00 C ATOM 123 CD1 PHE A 35 4.494 -2.072 5.780 1.00 0.00 C ATOM 124 CD2 PHE A 35 6.246 -0.573 5.042 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.459 -2.911 6.364 1.00 0.00 C ATOM 126 CE2 PHE A 35 7.212 -1.419 5.612 1.00 0.00 C ATOM 127 CZ PHE A 35 6.823 -2.592 6.269 1.00 0.00 C ATOM 0 H PHE A 35 1.734 1.072 3.714 1.00 0.00 H new ATOM 0 HA PHE A 35 3.817 -0.690 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.363 0.966 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.134 0.338 5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.449 -2.337 5.841 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.559 0.331 4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.150 -3.804 6.887 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.259 -1.163 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.566 -3.247 6.700 1.00 0.00 H new ATOM 137 N VAL A 36 2.281 -2.560 2.459 1.00 0.00 N ATOM 138 CA VAL A 36 1.309 -3.613 2.206 1.00 0.00 C ATOM 139 C VAL A 36 2.048 -4.901 1.872 1.00 0.00 C ATOM 140 O VAL A 36 2.540 -5.106 0.763 1.00 0.00 O ATOM 141 CB VAL A 36 0.409 -3.028 1.102 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.459 -3.969 0.329 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.576 -1.995 1.684 1.00 0.00 C ATOM 0 H VAL A 36 3.026 -2.526 1.764 1.00 0.00 H new ATOM 0 HA VAL A 36 0.680 -3.898 3.049 1.00 0.00 H new ATOM 0 HB VAL A 36 1.159 -2.628 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.033 -3.410 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.164 -4.707 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.142 -4.477 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.200 -1.597 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.207 -2.475 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.018 -1.182 2.148 1.00 0.00 H new ATOM 153 N ARG A 37 2.179 -5.751 2.890 1.00 0.00 N ATOM 154 CA ARG A 37 2.979 -6.992 2.871 1.00 0.00 C ATOM 155 C ARG A 37 2.306 -8.281 3.408 1.00 0.00 C ATOM 156 O ARG A 37 3.033 -9.192 3.810 1.00 0.00 O ATOM 157 CB ARG A 37 4.326 -6.721 3.572 1.00 0.00 C ATOM 158 CG ARG A 37 4.202 -6.394 5.068 1.00 0.00 C ATOM 159 CD ARG A 37 5.489 -6.789 5.800 1.00 0.00 C ATOM 160 NE ARG A 37 5.410 -6.442 7.232 1.00 0.00 N ATOM 161 CZ ARG A 37 6.421 -6.124 8.020 1.00 0.00 C ATOM 162 NH1 ARG A 37 7.658 -6.162 7.630 1.00 0.00 N ATOM 163 NH2 ARG A 37 6.232 -5.734 9.237 1.00 0.00 N ATOM 0 H ARG A 37 1.717 -5.596 3.786 1.00 0.00 H new ATOM 0 HA ARG A 37 3.112 -7.231 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.966 -7.595 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.824 -5.891 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.010 -5.329 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.353 -6.927 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.660 -7.860 5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.340 -6.282 5.346 1.00 0.00 H new ATOM 0 HE ARG A 37 4.482 -6.448 7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.884 -6.447 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.405 -5.907 8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.285 -5.666 9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.030 -5.494 9.825 1.00 0.00 H new ATOM 177 N PRO A 38 0.964 -8.433 3.437 1.00 0.00 N ATOM 178 CA PRO A 38 0.339 -9.661 3.947 1.00 0.00 C ATOM 179 C PRO A 38 0.473 -10.868 3.002 1.00 0.00 C ATOM 180 O PRO A 38 0.139 -11.989 3.396 1.00 0.00 O ATOM 181 CB PRO A 38 -1.139 -9.311 4.078 1.00 0.00 C ATOM 182 CG PRO A 38 -1.347 -8.394 2.896 1.00 0.00 C ATOM 183 CD PRO A 38 -0.083 -7.534 2.963 1.00 0.00 C ATOM 0 HA PRO A 38 0.824 -9.959 4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.774 -10.195 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.359 -8.815 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.422 -8.943 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.255 -7.799 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.165 -7.121 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.215 -6.691 3.641 1.00 0.00 H new ATOM 191 N PHE A 39 0.912 -10.638 1.767 1.00 0.00 N ATOM 192 CA PHE A 39 0.886 -11.596 0.667 1.00 0.00 C ATOM 193 C PHE A 39 2.264 -12.217 0.369 1.00 0.00 C ATOM 194 O PHE A 39 3.297 -11.660 0.764 1.00 0.00 O ATOM 195 CB PHE A 39 0.397 -10.897 -0.609 1.00 0.00 C ATOM 196 CG PHE A 39 -0.199 -9.503 -0.516 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.652 -8.380 -0.472 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.594 -9.310 -0.578 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.121 -7.098 -0.627 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.123 -8.013 -0.682 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.265 -6.910 -0.750 1.00 0.00 C ATOM 0 H PHE A 39 1.312 -9.740 1.495 1.00 0.00 H new ATOM 0 HA PHE A 39 0.214 -12.398 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.240 -10.846 -1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.352 -11.542 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.713 -8.511 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.258 -10.161 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.782 -6.244 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.193 -7.867 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.667 -5.918 -0.896 1.00 0.00 H new ATOM 211 N PRO A 40 2.302 -13.342 -0.360 1.00 0.00 N ATOM 212 CA PRO A 40 3.532 -13.872 -0.930 1.00 0.00 C ATOM 213 C PRO A 40 3.899 -13.155 -2.248 1.00 0.00 C ATOM 214 O PRO A 40 3.265 -12.173 -2.638 1.00 0.00 O ATOM 215 CB PRO A 40 3.238 -15.364 -1.144 1.00 0.00 C ATOM 216 CG PRO A 40 1.747 -15.370 -1.477 1.00 0.00 C ATOM 217 CD PRO A 40 1.186 -14.243 -0.620 1.00 0.00 C ATOM 0 HA PRO A 40 4.394 -13.717 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.835 -15.782 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.456 -15.951 -0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.572 -15.192 -2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.285 -16.327 -1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.378 -13.725 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.772 -14.630 0.311 1.00 0.00 H new ATOM 225 N LEU A 41 4.914 -13.674 -2.946 1.00 0.00 N ATOM 226 CA LEU A 41 5.403 -13.215 -4.260 1.00 0.00 C ATOM 227 C LEU A 41 4.281 -12.993 -5.294 1.00 0.00 C ATOM 228 O LEU A 41 4.425 -12.192 -6.219 1.00 0.00 O ATOM 229 CB LEU A 41 6.384 -14.261 -4.837 1.00 0.00 C ATOM 230 CG LEU A 41 7.609 -14.730 -4.025 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.387 -13.562 -3.436 1.00 0.00 C ATOM 232 CD2 LEU A 41 7.281 -15.715 -2.904 1.00 0.00 C ATOM 0 H LEU A 41 5.449 -14.469 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 41 5.887 -12.254 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.800 -15.149 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.759 -13.862 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 41 8.222 -15.256 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.240 -13.940 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.740 -12.917 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.738 -12.991 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.198 -15.993 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.592 -15.249 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.819 -16.607 -3.327 1.00 0.00 H new ATOM 244 N ASP A 42 3.183 -13.739 -5.157 1.00 0.00 N ATOM 245 CA ASP A 42 2.062 -13.810 -6.100 1.00 0.00 C ATOM 246 C ASP A 42 1.179 -12.546 -6.164 1.00 0.00 C ATOM 247 O ASP A 42 0.404 -12.418 -7.116 1.00 0.00 O ATOM 248 CB ASP A 42 1.201 -15.034 -5.747 1.00 0.00 C ATOM 249 CG ASP A 42 2.001 -16.347 -5.691 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.669 -16.607 -4.657 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.955 -17.133 -6.666 1.00 0.00 O ATOM 0 H ASP A 42 3.043 -14.341 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 42 2.502 -13.895 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.723 -14.867 -4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.404 -15.134 -6.484 1.00 0.00 H new ATOM 256 N VAL A 43 1.262 -11.608 -5.204 1.00 0.00 N ATOM 257 CA VAL A 43 0.628 -10.280 -5.370 1.00 0.00 C ATOM 258 C VAL A 43 1.347 -9.520 -6.486 1.00 0.00 C ATOM 259 O VAL A 43 2.563 -9.644 -6.641 1.00 0.00 O ATOM 260 CB VAL A 43 0.593 -9.446 -4.074 1.00 0.00 C ATOM 261 CG1 VAL A 43 1.975 -8.939 -3.633 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.370 -8.254 -4.218 1.00 0.00 C ATOM 0 H VAL A 43 1.752 -11.737 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.416 -10.448 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 43 0.237 -10.122 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.874 -8.360 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.635 -9.788 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.398 -8.308 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.379 -7.679 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.039 -7.616 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.375 -8.621 -4.427 1.00 0.00 H new ATOM 272 N GLN A 44 0.618 -8.724 -7.267 1.00 0.00 N ATOM 273 CA GLN A 44 1.145 -7.999 -8.428 1.00 0.00 C ATOM 274 C GLN A 44 0.346 -6.708 -8.622 1.00 0.00 C ATOM 275 O GLN A 44 -0.697 -6.494 -7.992 1.00 0.00 O ATOM 276 CB GLN A 44 1.055 -8.861 -9.711 1.00 0.00 C ATOM 277 CG GLN A 44 1.813 -10.201 -9.743 1.00 0.00 C ATOM 278 CD GLN A 44 3.326 -10.066 -9.913 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.834 -9.811 -11.004 1.00 0.00 O ATOM 280 NE2 GLN A 44 4.108 -10.271 -8.878 1.00 0.00 N ATOM 0 H GLN A 44 -0.376 -8.560 -7.109 1.00 0.00 H new ATOM 0 HA GLN A 44 2.194 -7.767 -8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.002 -9.070 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.413 -8.256 -10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.610 -10.741 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.420 -10.807 -10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.702 -10.483 -7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.121 -10.218 -8.986 1.00 0.00 H new ATOM 289 N GLU A 45 0.819 -5.839 -9.523 1.00 0.00 N ATOM 290 CA GLU A 45 0.154 -4.565 -9.801 1.00 0.00 C ATOM 291 C GLU A 45 -1.324 -4.757 -10.175 1.00 0.00 C ATOM 292 O GLU A 45 -2.124 -3.907 -9.828 1.00 0.00 O ATOM 293 CB GLU A 45 0.889 -3.784 -10.905 1.00 0.00 C ATOM 294 CG GLU A 45 0.687 -2.267 -10.749 1.00 0.00 C ATOM 295 CD GLU A 45 0.709 -1.522 -12.104 1.00 0.00 C ATOM 296 OE1 GLU A 45 1.744 -1.560 -12.811 1.00 0.00 O ATOM 297 OE2 GLU A 45 -0.312 -0.881 -12.454 1.00 0.00 O ATOM 0 H GLU A 45 1.663 -5.998 -10.073 1.00 0.00 H new ATOM 0 HA GLU A 45 0.190 -3.982 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.953 -4.016 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.525 -4.102 -11.882 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.265 -2.080 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.468 -1.864 -10.104 1.00 0.00 H new ATOM 304 N SER A 46 -1.725 -5.873 -10.790 1.00 0.00 N ATOM 305 CA SER A 46 -3.131 -6.231 -11.060 1.00 0.00 C ATOM 306 C SER A 46 -4.011 -6.397 -9.797 1.00 0.00 C ATOM 307 O SER A 46 -5.179 -6.000 -9.791 1.00 0.00 O ATOM 308 CB SER A 46 -3.190 -7.522 -11.893 1.00 0.00 C ATOM 309 OG SER A 46 -2.133 -8.430 -11.601 1.00 0.00 O ATOM 0 H SER A 46 -1.066 -6.576 -11.125 1.00 0.00 H new ATOM 0 HA SER A 46 -3.546 -5.386 -11.609 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.145 -8.017 -11.715 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.157 -7.265 -12.952 1.00 0.00 H new ATOM 0 HG SER A 46 -2.307 -8.869 -10.742 1.00 0.00 H new ATOM 315 N GLU A 47 -3.467 -6.936 -8.712 1.00 0.00 N ATOM 316 CA GLU A 47 -4.169 -7.213 -7.463 1.00 0.00 C ATOM 317 C GLU A 47 -4.263 -5.924 -6.659 1.00 0.00 C ATOM 318 O GLU A 47 -5.310 -5.549 -6.127 1.00 0.00 O ATOM 319 CB GLU A 47 -3.313 -8.236 -6.702 1.00 0.00 C ATOM 320 CG GLU A 47 -3.664 -9.679 -7.069 1.00 0.00 C ATOM 321 CD GLU A 47 -3.548 -9.999 -8.579 1.00 0.00 C ATOM 322 OE1 GLU A 47 -2.468 -9.781 -9.179 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.542 -10.485 -9.176 1.00 0.00 O ATOM 0 H GLU A 47 -2.483 -7.203 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.175 -7.595 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.260 -8.055 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.449 -8.093 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.009 -10.352 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.683 -9.887 -6.743 1.00 0.00 H new ATOM 330 N LEU A 48 -3.155 -5.188 -6.662 1.00 0.00 N ATOM 331 CA LEU A 48 -3.098 -3.848 -6.136 1.00 0.00 C ATOM 332 C LEU A 48 -4.023 -2.919 -6.956 1.00 0.00 C ATOM 333 O LEU A 48 -4.715 -2.089 -6.387 1.00 0.00 O ATOM 334 CB LEU A 48 -1.614 -3.464 -6.112 1.00 0.00 C ATOM 335 CG LEU A 48 -0.744 -4.394 -5.225 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.660 -4.667 -5.748 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.495 -3.747 -3.889 1.00 0.00 C ATOM 0 H LEU A 48 -2.266 -5.519 -7.037 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.480 -3.757 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.227 -3.481 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.519 -2.440 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.318 -5.320 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.184 -5.326 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.598 -5.143 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.205 -3.727 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.116 -4.407 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.026 -2.801 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.447 -3.564 -3.390 1.00 0.00 H new ATOM 349 N ASN A 49 -4.168 -3.108 -8.268 1.00 0.00 N ATOM 350 CA ASN A 49 -5.157 -2.367 -9.075 1.00 0.00 C ATOM 351 C ASN A 49 -6.601 -2.686 -8.654 1.00 0.00 C ATOM 352 O ASN A 49 -7.416 -1.770 -8.533 1.00 0.00 O ATOM 353 CB ASN A 49 -4.980 -2.607 -10.586 1.00 0.00 C ATOM 354 CG ASN A 49 -4.147 -1.541 -11.283 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.653 -0.669 -11.974 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.847 -1.599 -11.138 1.00 0.00 N ATOM 0 H ASN A 49 -3.611 -3.773 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.969 -1.311 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.510 -3.579 -10.738 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.963 -2.651 -11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.251 -0.914 -11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.430 -2.329 -10.560 1.00 0.00 H new ATOM 363 N GLU A 50 -6.926 -3.953 -8.383 1.00 0.00 N ATOM 364 CA GLU A 50 -8.243 -4.331 -7.843 1.00 0.00 C ATOM 365 C GLU A 50 -8.552 -3.686 -6.478 1.00 0.00 C ATOM 366 O GLU A 50 -9.690 -3.282 -6.225 1.00 0.00 O ATOM 367 CB GLU A 50 -8.333 -5.856 -7.709 1.00 0.00 C ATOM 368 CG GLU A 50 -8.710 -6.551 -9.026 1.00 0.00 C ATOM 369 CD GLU A 50 -10.172 -6.282 -9.439 1.00 0.00 C ATOM 370 OE1 GLU A 50 -11.092 -6.939 -8.889 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.414 -5.421 -10.317 1.00 0.00 O ATOM 0 H GLU A 50 -6.294 -4.741 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.984 -3.959 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.375 -6.242 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.072 -6.106 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.043 -6.208 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.557 -7.625 -8.923 1.00 0.00 H new ATOM 378 N ILE A 51 -7.551 -3.582 -5.598 1.00 0.00 N ATOM 379 CA ILE A 51 -7.720 -3.093 -4.224 1.00 0.00 C ATOM 380 C ILE A 51 -7.647 -1.556 -4.124 1.00 0.00 C ATOM 381 O ILE A 51 -8.387 -0.967 -3.336 1.00 0.00 O ATOM 382 CB ILE A 51 -6.634 -3.750 -3.345 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.840 -5.277 -3.211 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.536 -3.105 -1.949 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.573 -6.007 -2.740 1.00 0.00 C ATOM 0 H ILE A 51 -6.589 -3.838 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.716 -3.367 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.690 -3.575 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.649 -5.470 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.152 -5.683 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.758 -3.604 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.290 -2.048 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.491 -3.206 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.776 -7.075 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.769 -5.840 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.274 -5.624 -1.764 1.00 0.00 H new ATOM 397 N PHE A 52 -6.774 -0.910 -4.902 1.00 0.00 N ATOM 398 CA PHE A 52 -6.416 0.515 -4.789 1.00 0.00 C ATOM 399 C PHE A 52 -7.016 1.388 -5.902 1.00 0.00 C ATOM 400 O PHE A 52 -7.169 2.600 -5.735 1.00 0.00 O ATOM 401 CB PHE A 52 -4.904 0.702 -4.803 1.00 0.00 C ATOM 402 CG PHE A 52 -4.145 0.141 -3.624 1.00 0.00 C ATOM 403 CD1 PHE A 52 -4.007 -1.247 -3.463 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.503 1.003 -2.718 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.181 -1.786 -2.473 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.632 0.462 -1.767 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.425 -0.922 -1.687 1.00 0.00 C ATOM 0 H PHE A 52 -6.276 -1.379 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.838 0.839 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.512 0.243 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.693 1.769 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.551 -1.912 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.680 2.068 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.130 -2.854 -2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.112 1.119 -1.085 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.678 -1.318 -1.015 1.00 0.00 H new ATOM 417 N GLY A 53 -7.413 0.779 -7.022 1.00 0.00 N ATOM 418 CA GLY A 53 -8.207 1.421 -8.071 1.00 0.00 C ATOM 419 C GLY A 53 -9.487 2.129 -7.580 1.00 0.00 C ATOM 420 O GLY A 53 -9.815 3.176 -8.148 1.00 0.00 O ATOM 0 H GLY A 53 -7.187 -0.194 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.581 2.151 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.487 0.667 -8.807 1.00 0.00 H new ATOM 424 N PRO A 54 -10.198 1.657 -6.523 1.00 0.00 N ATOM 425 CA PRO A 54 -11.306 2.402 -5.910 1.00 0.00 C ATOM 426 C PRO A 54 -10.911 3.777 -5.340 1.00 0.00 C ATOM 427 O PRO A 54 -11.759 4.668 -5.250 1.00 0.00 O ATOM 428 CB PRO A 54 -11.863 1.497 -4.797 1.00 0.00 C ATOM 429 CG PRO A 54 -11.395 0.098 -5.196 1.00 0.00 C ATOM 430 CD PRO A 54 -10.031 0.403 -5.795 1.00 0.00 C ATOM 0 HA PRO A 54 -12.044 2.632 -6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.478 1.784 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.950 1.554 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.328 -0.573 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.066 -0.370 -5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.273 0.498 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.706 -0.397 -6.460 1.00 0.00 H new ATOM 438 N PHE A 55 -9.644 3.969 -4.939 1.00 0.00 N ATOM 439 CA PHE A 55 -9.148 5.223 -4.356 1.00 0.00 C ATOM 440 C PHE A 55 -8.822 6.231 -5.446 1.00 0.00 C ATOM 441 O PHE A 55 -9.248 7.387 -5.390 1.00 0.00 O ATOM 442 CB PHE A 55 -7.873 4.988 -3.521 1.00 0.00 C ATOM 443 CG PHE A 55 -7.832 3.754 -2.655 1.00 0.00 C ATOM 444 CD1 PHE A 55 -9.015 3.203 -2.139 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.603 3.102 -2.452 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.982 1.981 -1.453 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.560 1.950 -1.640 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.754 1.372 -1.173 1.00 0.00 C ATOM 0 H PHE A 55 -8.927 3.247 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.939 5.608 -3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.025 4.949 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.725 5.856 -2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.953 3.722 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.702 3.479 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.903 1.511 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.609 1.511 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.723 0.458 -0.598 1.00 0.00 H new ATOM 458 N GLY A 56 -8.074 5.764 -6.452 1.00 0.00 N ATOM 459 CA GLY A 56 -7.851 6.465 -7.699 1.00 0.00 C ATOM 460 C GLY A 56 -6.384 6.670 -8.095 1.00 0.00 C ATOM 461 O GLY A 56 -5.891 5.954 -8.971 1.00 0.00 O ATOM 0 H GLY A 56 -7.599 4.862 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.350 5.916 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.331 7.442 -7.636 1.00 0.00 H new ATOM 465 N PRO A 57 -5.663 7.626 -7.480 1.00 0.00 N ATOM 466 CA PRO A 57 -4.345 8.073 -7.929 1.00 0.00 C ATOM 467 C PRO A 57 -3.168 7.230 -7.396 1.00 0.00 C ATOM 468 O PRO A 57 -2.199 7.790 -6.877 1.00 0.00 O ATOM 469 CB PRO A 57 -4.298 9.549 -7.513 1.00 0.00 C ATOM 470 CG PRO A 57 -5.000 9.509 -6.167 1.00 0.00 C ATOM 471 CD PRO A 57 -6.108 8.471 -6.370 1.00 0.00 C ATOM 0 HA PRO A 57 -4.220 7.945 -9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.276 9.919 -7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.814 10.192 -8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.319 9.217 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.408 10.483 -5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.262 7.881 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.058 8.953 -6.602 1.00 0.00 H new ATOM 479 N MET A 58 -3.248 5.892 -7.495 1.00 0.00 N ATOM 480 CA MET A 58 -2.167 4.890 -7.284 1.00 0.00 C ATOM 481 C MET A 58 -0.985 5.078 -8.247 1.00 0.00 C ATOM 482 O MET A 58 -0.701 4.288 -9.152 1.00 0.00 O ATOM 483 CB MET A 58 -2.710 3.466 -7.269 1.00 0.00 C ATOM 484 CG MET A 58 -3.633 3.127 -8.441 1.00 0.00 C ATOM 485 SD MET A 58 -4.304 1.440 -8.458 1.00 0.00 S ATOM 486 CE MET A 58 -2.908 0.510 -7.774 1.00 0.00 C ATOM 0 H MET A 58 -4.129 5.441 -7.742 1.00 0.00 H new ATOM 0 HA MET A 58 -1.757 5.072 -6.290 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.871 2.771 -7.271 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.253 3.307 -6.337 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.467 3.829 -8.437 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.085 3.289 -9.369 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.077 -0.557 -7.916 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.991 0.803 -8.284 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.815 0.724 -6.709 1.00 0.00 H new ATOM 496 N LYS A 59 -0.321 6.203 -8.023 1.00 0.00 N ATOM 497 CA LYS A 59 0.808 6.782 -8.736 1.00 0.00 C ATOM 498 C LYS A 59 2.025 5.862 -8.799 1.00 0.00 C ATOM 499 O LYS A 59 2.735 5.874 -9.801 1.00 0.00 O ATOM 500 CB LYS A 59 1.019 8.153 -8.074 1.00 0.00 C ATOM 501 CG LYS A 59 2.370 8.848 -8.169 1.00 0.00 C ATOM 502 CD LYS A 59 3.440 8.133 -7.340 1.00 0.00 C ATOM 503 CE LYS A 59 4.329 9.141 -6.631 1.00 0.00 C ATOM 504 NZ LYS A 59 5.780 8.843 -6.768 1.00 0.00 N ATOM 0 H LYS A 59 -0.594 6.802 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 59 0.616 6.913 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.276 8.832 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.787 8.040 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.685 8.888 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.273 9.878 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.965 7.481 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.045 7.498 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.130 10.135 -7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.068 9.165 -5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.213 8.783 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.903 7.937 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.240 9.601 -7.312 1.00 0.00 H new ATOM 518 N GLU A 60 2.250 5.039 -7.774 1.00 0.00 N ATOM 519 CA GLU A 60 3.278 4.003 -7.780 1.00 0.00 C ATOM 520 C GLU A 60 2.869 2.834 -6.909 1.00 0.00 C ATOM 521 O GLU A 60 1.979 2.923 -6.070 1.00 0.00 O ATOM 522 CB GLU A 60 4.646 4.559 -7.330 1.00 0.00 C ATOM 523 CG GLU A 60 5.698 4.529 -8.444 1.00 0.00 C ATOM 524 CD GLU A 60 6.961 5.276 -7.983 1.00 0.00 C ATOM 525 OE1 GLU A 60 6.927 6.531 -7.935 1.00 0.00 O ATOM 526 OE2 GLU A 60 7.975 4.615 -7.637 1.00 0.00 O ATOM 0 H GLU A 60 1.715 5.075 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 60 3.382 3.652 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.520 5.585 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.007 3.979 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.945 3.498 -8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.299 4.991 -9.347 1.00 0.00 H new ATOM 533 N VAL A 61 3.526 1.716 -7.188 1.00 0.00 N ATOM 534 CA VAL A 61 3.215 0.405 -6.648 1.00 0.00 C ATOM 535 C VAL A 61 4.549 -0.336 -6.576 1.00 0.00 C ATOM 536 O VAL A 61 4.882 -1.166 -7.418 1.00 0.00 O ATOM 537 CB VAL A 61 2.149 -0.321 -7.520 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.411 -1.338 -6.658 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.067 0.553 -8.180 1.00 0.00 C ATOM 0 H VAL A 61 4.323 1.701 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 61 2.764 0.459 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 61 2.735 -0.749 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.662 -1.851 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.121 -2.066 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.921 -0.826 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.391 -0.078 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.503 1.078 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.539 1.279 -8.842 1.00 0.00 H new ATOM 549 N LYS A 62 5.398 0.097 -5.634 1.00 0.00 N ATOM 550 CA LYS A 62 6.782 -0.376 -5.496 1.00 0.00 C ATOM 551 C LYS A 62 6.736 -1.815 -4.976 1.00 0.00 C ATOM 552 O LYS A 62 6.436 -2.025 -3.803 1.00 0.00 O ATOM 553 CB LYS A 62 7.552 0.569 -4.560 1.00 0.00 C ATOM 554 CG LYS A 62 7.408 2.058 -4.935 1.00 0.00 C ATOM 555 CD LYS A 62 8.297 2.955 -4.061 1.00 0.00 C ATOM 556 CE LYS A 62 9.729 3.003 -4.606 1.00 0.00 C ATOM 557 NZ LYS A 62 9.884 4.066 -5.640 1.00 0.00 N ATOM 0 H LYS A 62 5.139 0.795 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 62 7.308 -0.372 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.199 0.424 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.608 0.300 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.672 2.196 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.367 2.361 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.882 3.963 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.305 2.579 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.425 3.186 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.989 2.035 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.733 3.875 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.047 4.074 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.980 4.991 -5.175 1.00 0.00 H new ATOM 571 N ILE A 63 6.975 -2.799 -5.840 1.00 0.00 N ATOM 572 CA ILE A 63 6.691 -4.223 -5.583 1.00 0.00 C ATOM 573 C ILE A 63 7.964 -5.067 -5.525 1.00 0.00 C ATOM 574 O ILE A 63 8.785 -5.085 -6.445 1.00 0.00 O ATOM 575 CB ILE A 63 5.653 -4.769 -6.590 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.259 -4.173 -6.290 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.538 -6.306 -6.545 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.345 -4.163 -7.523 1.00 0.00 C ATOM 0 H ILE A 63 7.381 -2.633 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 63 6.245 -4.299 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 63 5.999 -4.477 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.785 -4.749 -5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.375 -3.154 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.796 -6.637 -7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.504 -6.750 -6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.233 -6.619 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.379 -3.734 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.803 -3.564 -8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.203 -5.183 -7.879 1.00 0.00 H new ATOM 590 N LEU A 64 8.096 -5.748 -4.395 1.00 0.00 N ATOM 591 CA LEU A 64 9.220 -6.550 -3.934 1.00 0.00 C ATOM 592 C LEU A 64 8.706 -7.940 -3.477 1.00 0.00 C ATOM 593 O LEU A 64 7.517 -8.232 -3.606 1.00 0.00 O ATOM 594 CB LEU A 64 9.909 -5.794 -2.785 1.00 0.00 C ATOM 595 CG LEU A 64 10.565 -4.434 -3.116 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.650 -3.262 -3.490 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.379 -4.064 -1.892 1.00 0.00 C ATOM 0 H LEU A 64 7.341 -5.752 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 64 9.943 -6.711 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.170 -5.629 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.677 -6.445 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 64 11.135 -4.586 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.255 -2.379 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.073 -3.520 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.970 -3.053 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.873 -3.107 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.720 -3.987 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.130 -4.832 -1.709 1.00 0.00 H new ATOM 609 N ASN A 65 9.591 -8.785 -2.939 1.00 0.00 N ATOM 610 CA ASN A 65 9.440 -10.221 -2.598 1.00 0.00 C ATOM 611 C ASN A 65 8.315 -10.602 -1.593 1.00 0.00 C ATOM 612 O ASN A 65 8.557 -11.206 -0.547 1.00 0.00 O ATOM 613 CB ASN A 65 10.782 -10.715 -2.045 1.00 0.00 C ATOM 614 CG ASN A 65 11.987 -10.365 -2.901 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.150 -10.840 -4.018 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.854 -9.501 -2.428 1.00 0.00 N ATOM 0 H ASN A 65 10.528 -8.457 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 65 9.136 -10.701 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.926 -10.295 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.736 -11.798 -1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.660 -9.227 -2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.722 -9.103 -1.498 1.00 0.00 H new ATOM 623 N GLY A 66 7.078 -10.230 -1.890 1.00 0.00 N ATOM 624 CA GLY A 66 5.927 -10.315 -0.998 1.00 0.00 C ATOM 625 C GLY A 66 5.404 -8.945 -0.559 1.00 0.00 C ATOM 626 O GLY A 66 4.415 -8.872 0.167 1.00 0.00 O ATOM 0 H GLY A 66 6.837 -9.842 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.126 -10.859 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.201 -10.892 -0.115 1.00 0.00 H new ATOM 630 N PHE A 67 6.064 -7.853 -0.972 1.00 0.00 N ATOM 631 CA PHE A 67 5.790 -6.512 -0.447 1.00 0.00 C ATOM 632 C PHE A 67 5.343 -5.571 -1.568 1.00 0.00 C ATOM 633 O PHE A 67 5.811 -5.657 -2.699 1.00 0.00 O ATOM 634 CB PHE A 67 7.026 -5.922 0.262 1.00 0.00 C ATOM 635 CG PHE A 67 7.897 -6.852 1.098 1.00 0.00 C ATOM 636 CD1 PHE A 67 7.325 -7.857 1.897 1.00 0.00 C ATOM 637 CD2 PHE A 67 9.297 -6.685 1.106 1.00 0.00 C ATOM 638 CE1 PHE A 67 8.129 -8.681 2.701 1.00 0.00 C ATOM 639 CE2 PHE A 67 10.108 -7.517 1.904 1.00 0.00 C ATOM 640 CZ PHE A 67 9.525 -8.515 2.703 1.00 0.00 C ATOM 0 H PHE A 67 6.800 -7.877 -1.677 1.00 0.00 H new ATOM 0 HA PHE A 67 4.985 -6.608 0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.661 -5.469 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.683 -5.116 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.254 -7.997 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.750 -5.916 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.675 -9.442 3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.180 -7.387 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.146 -9.151 3.316 1.00 0.00 H new ATOM 650 N ALA A 68 4.491 -4.621 -1.215 1.00 0.00 N ATOM 651 CA ALA A 68 4.084 -3.488 -2.023 1.00 0.00 C ATOM 652 C ALA A 68 4.158 -2.246 -1.139 1.00 0.00 C ATOM 653 O ALA A 68 3.628 -2.219 -0.026 1.00 0.00 O ATOM 654 CB ALA A 68 2.678 -3.731 -2.565 1.00 0.00 C ATOM 0 H ALA A 68 4.039 -4.623 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 68 4.737 -3.348 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.370 -2.880 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.675 -4.634 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.984 -3.853 -1.734 1.00 0.00 H new ATOM 660 N PHE A 69 4.826 -1.219 -1.641 1.00 0.00 N ATOM 661 CA PHE A 69 4.788 0.120 -1.086 1.00 0.00 C ATOM 662 C PHE A 69 4.107 0.953 -2.154 1.00 0.00 C ATOM 663 O PHE A 69 4.728 1.508 -3.067 1.00 0.00 O ATOM 664 CB PHE A 69 6.163 0.657 -0.667 1.00 0.00 C ATOM 665 CG PHE A 69 7.096 -0.384 -0.085 1.00 0.00 C ATOM 666 CD1 PHE A 69 6.956 -0.832 1.236 1.00 0.00 C ATOM 667 CD2 PHE A 69 8.081 -0.946 -0.913 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.761 -1.894 1.701 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.894 -1.973 -0.435 1.00 0.00 C ATOM 670 CZ PHE A 69 8.723 -2.477 0.849 1.00 0.00 C ATOM 0 H PHE A 69 5.423 -1.298 -2.465 1.00 0.00 H new ATOM 0 HA PHE A 69 4.241 0.148 -0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.642 1.110 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.020 1.449 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.237 -0.367 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.209 -0.582 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.641 -2.261 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.666 -2.382 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.322 -3.308 1.192 1.00 0.00 H new ATOM 680 N VAL A 70 2.783 0.898 -2.130 1.00 0.00 N ATOM 681 CA VAL A 70 1.980 1.743 -3.012 1.00 0.00 C ATOM 682 C VAL A 70 2.223 3.188 -2.593 1.00 0.00 C ATOM 683 O VAL A 70 2.587 3.468 -1.449 1.00 0.00 O ATOM 684 CB VAL A 70 0.520 1.263 -3.065 1.00 0.00 C ATOM 685 CG1 VAL A 70 -0.227 1.644 -4.336 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.477 -0.249 -3.209 1.00 0.00 C ATOM 0 H VAL A 70 2.244 0.286 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 70 2.278 1.671 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 70 0.087 1.698 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.248 1.265 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.248 2.729 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.279 1.211 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.560 -0.582 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.985 -0.542 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.976 -0.710 -2.356 1.00 0.00 H new ATOM 696 N GLU A 71 2.108 4.113 -3.525 1.00 0.00 N ATOM 697 CA GLU A 71 2.532 5.489 -3.335 1.00 0.00 C ATOM 698 C GLU A 71 1.617 6.396 -4.137 1.00 0.00 C ATOM 699 O GLU A 71 1.194 6.055 -5.251 1.00 0.00 O ATOM 700 CB GLU A 71 3.985 5.641 -3.814 1.00 0.00 C ATOM 701 CG GLU A 71 4.585 6.981 -3.384 1.00 0.00 C ATOM 702 CD GLU A 71 6.103 7.071 -3.603 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.862 6.252 -3.033 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.567 8.019 -4.275 1.00 0.00 O ATOM 0 H GLU A 71 1.713 3.930 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 71 2.478 5.761 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.588 4.827 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.021 5.558 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.098 7.783 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.368 7.145 -2.329 1.00 0.00 H new ATOM 711 N PHE A 72 1.360 7.573 -3.591 1.00 0.00 N ATOM 712 CA PHE A 72 0.492 8.569 -4.192 1.00 0.00 C ATOM 713 C PHE A 72 1.210 9.910 -4.396 1.00 0.00 C ATOM 714 O PHE A 72 2.275 10.171 -3.835 1.00 0.00 O ATOM 715 CB PHE A 72 -0.764 8.707 -3.315 1.00 0.00 C ATOM 716 CG PHE A 72 -1.549 7.435 -3.010 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.828 6.482 -4.005 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.086 7.246 -1.726 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.656 5.377 -3.733 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.923 6.149 -1.457 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.211 5.215 -2.464 1.00 0.00 C ATOM 0 H PHE A 72 1.758 7.868 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 72 0.200 8.244 -5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.466 9.154 -2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.439 9.411 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.402 6.599 -4.990 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.854 7.949 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.862 4.654 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.346 6.025 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.859 4.376 -2.257 1.00 0.00 H new ATOM 731 N GLU A 73 0.593 10.784 -5.187 1.00 0.00 N ATOM 732 CA GLU A 73 0.979 12.198 -5.349 1.00 0.00 C ATOM 733 C GLU A 73 -0.001 13.139 -4.611 1.00 0.00 C ATOM 734 O GLU A 73 -0.013 14.353 -4.817 1.00 0.00 O ATOM 735 CB GLU A 73 1.140 12.532 -6.846 1.00 0.00 C ATOM 736 CG GLU A 73 -0.117 12.267 -7.691 1.00 0.00 C ATOM 737 CD GLU A 73 0.153 12.519 -9.187 1.00 0.00 C ATOM 738 OE1 GLU A 73 0.636 11.597 -9.887 1.00 0.00 O ATOM 739 OE2 GLU A 73 -0.126 13.640 -9.677 1.00 0.00 O ATOM 0 H GLU A 73 -0.215 10.528 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 73 1.949 12.362 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.415 13.582 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.966 11.947 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.445 11.238 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.929 12.911 -7.352 1.00 0.00 H new ATOM 746 N GLU A 74 -0.846 12.566 -3.748 1.00 0.00 N ATOM 747 CA GLU A 74 -1.982 13.203 -3.075 1.00 0.00 C ATOM 748 C GLU A 74 -2.239 12.528 -1.711 1.00 0.00 C ATOM 749 O GLU A 74 -2.281 11.298 -1.615 1.00 0.00 O ATOM 750 CB GLU A 74 -3.193 13.072 -4.024 1.00 0.00 C ATOM 751 CG GLU A 74 -4.525 13.565 -3.456 1.00 0.00 C ATOM 752 CD GLU A 74 -4.456 15.024 -2.966 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.610 15.958 -3.791 1.00 0.00 O ATOM 754 OE2 GLU A 74 -4.237 15.229 -1.751 1.00 0.00 O ATOM 0 H GLU A 74 -0.749 11.585 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.789 14.255 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.979 13.626 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.302 12.024 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.296 13.479 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.823 12.921 -2.629 1.00 0.00 H new ATOM 761 N ALA A 75 -2.429 13.325 -0.649 1.00 0.00 N ATOM 762 CA ALA A 75 -2.664 12.838 0.702 1.00 0.00 C ATOM 763 C ALA A 75 -4.122 12.435 0.955 1.00 0.00 C ATOM 764 O ALA A 75 -4.405 11.651 1.859 1.00 0.00 O ATOM 765 CB ALA A 75 -2.147 13.877 1.701 1.00 0.00 C ATOM 0 H ALA A 75 -2.422 14.343 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.106 11.911 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.318 13.522 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.079 14.031 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.675 14.819 1.552 1.00 0.00 H new ATOM 771 N GLU A 76 -5.046 12.887 0.112 1.00 0.00 N ATOM 772 CA GLU A 76 -6.428 12.408 0.095 1.00 0.00 C ATOM 773 C GLU A 76 -6.563 10.940 -0.291 1.00 0.00 C ATOM 774 O GLU A 76 -7.390 10.239 0.289 1.00 0.00 O ATOM 775 CB GLU A 76 -7.252 13.286 -0.845 1.00 0.00 C ATOM 776 CG GLU A 76 -7.866 14.409 -0.023 1.00 0.00 C ATOM 777 CD GLU A 76 -9.087 13.887 0.764 1.00 0.00 C ATOM 778 OE1 GLU A 76 -9.976 13.238 0.156 1.00 0.00 O ATOM 779 OE2 GLU A 76 -9.156 14.094 1.993 1.00 0.00 O ATOM 0 H GLU A 76 -4.856 13.605 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.805 12.481 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.622 13.693 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.032 12.698 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.125 14.812 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.169 15.226 -0.678 1.00 0.00 H new ATOM 786 N SER A 77 -5.757 10.454 -1.237 1.00 0.00 N ATOM 787 CA SER A 77 -5.722 9.022 -1.545 1.00 0.00 C ATOM 788 C SER A 77 -5.181 8.221 -0.373 1.00 0.00 C ATOM 789 O SER A 77 -5.737 7.178 -0.068 1.00 0.00 O ATOM 790 CB SER A 77 -4.933 8.726 -2.812 1.00 0.00 C ATOM 791 OG SER A 77 -5.141 7.396 -3.236 1.00 0.00 O ATOM 0 H SER A 77 -5.125 11.024 -1.799 1.00 0.00 H new ATOM 0 HA SER A 77 -6.752 8.713 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.234 9.415 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.871 8.892 -2.631 1.00 0.00 H new ATOM 0 HG SER A 77 -4.364 6.850 -2.993 1.00 0.00 H new ATOM 797 N ALA A 78 -4.166 8.715 0.336 1.00 0.00 N ATOM 798 CA ALA A 78 -3.693 8.053 1.548 1.00 0.00 C ATOM 799 C ALA A 78 -4.769 8.034 2.638 1.00 0.00 C ATOM 800 O ALA A 78 -5.086 6.955 3.132 1.00 0.00 O ATOM 801 CB ALA A 78 -2.374 8.682 1.979 1.00 0.00 C ATOM 0 H ALA A 78 -3.659 9.566 0.093 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.495 7.000 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.016 8.192 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.637 8.562 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.524 9.743 2.177 1.00 0.00 H new ATOM 807 N ALA A 79 -5.407 9.169 2.952 1.00 0.00 N ATOM 808 CA ALA A 79 -6.500 9.261 3.921 1.00 0.00 C ATOM 809 C ALA A 79 -7.634 8.260 3.638 1.00 0.00 C ATOM 810 O ALA A 79 -8.033 7.485 4.518 1.00 0.00 O ATOM 811 CB ALA A 79 -7.003 10.709 3.951 1.00 0.00 C ATOM 0 H ALA A 79 -5.170 10.066 2.529 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.121 8.986 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.819 10.796 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.189 11.371 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.360 10.991 2.960 1.00 0.00 H new ATOM 817 N LYS A 80 -8.121 8.214 2.391 1.00 0.00 N ATOM 818 CA LYS A 80 -9.157 7.241 2.030 1.00 0.00 C ATOM 819 C LYS A 80 -8.634 5.819 1.957 1.00 0.00 C ATOM 820 O LYS A 80 -9.318 4.932 2.442 1.00 0.00 O ATOM 821 CB LYS A 80 -9.910 7.628 0.754 1.00 0.00 C ATOM 822 CG LYS A 80 -9.109 7.460 -0.539 1.00 0.00 C ATOM 823 CD LYS A 80 -9.815 8.069 -1.771 1.00 0.00 C ATOM 824 CE LYS A 80 -9.587 9.570 -2.054 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.965 10.459 -0.923 1.00 0.00 N ATOM 0 H LYS A 80 -7.822 8.825 1.631 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.877 7.268 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.815 7.024 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.226 8.668 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.132 7.929 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.933 6.399 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.499 7.509 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.887 7.907 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.536 9.729 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.161 9.855 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.063 11.436 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.870 10.142 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.227 10.422 -0.191 1.00 0.00 H new ATOM 839 N ALA A 81 -7.429 5.593 1.443 1.00 0.00 N ATOM 840 CA ALA A 81 -6.827 4.262 1.404 1.00 0.00 C ATOM 841 C ALA A 81 -6.764 3.688 2.836 1.00 0.00 C ATOM 842 O ALA A 81 -7.178 2.555 3.075 1.00 0.00 O ATOM 843 CB ALA A 81 -5.443 4.297 0.741 1.00 0.00 C ATOM 0 H ALA A 81 -6.842 6.325 1.042 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.447 3.605 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.021 3.292 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.538 4.665 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.786 4.959 1.305 1.00 0.00 H new ATOM 849 N ILE A 82 -6.339 4.504 3.810 1.00 0.00 N ATOM 850 CA ILE A 82 -6.365 4.166 5.237 1.00 0.00 C ATOM 851 C ILE A 82 -7.772 3.743 5.668 1.00 0.00 C ATOM 852 O ILE A 82 -7.984 2.609 6.108 1.00 0.00 O ATOM 853 CB ILE A 82 -5.851 5.327 6.125 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.362 5.661 5.897 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.045 5.054 7.635 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.092 7.146 6.132 1.00 0.00 C ATOM 0 H ILE A 82 -5.961 5.433 3.624 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.685 3.326 5.378 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.460 6.178 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.745 5.065 6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.077 5.392 4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.667 5.900 8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.105 4.916 7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.499 4.153 7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.035 7.355 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.693 7.739 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.355 7.406 7.157 1.00 0.00 H new ATOM 868 N GLU A 83 -8.753 4.626 5.482 1.00 0.00 N ATOM 869 CA GLU A 83 -10.137 4.335 5.873 1.00 0.00 C ATOM 870 C GLU A 83 -10.769 3.151 5.103 1.00 0.00 C ATOM 871 O GLU A 83 -11.678 2.498 5.619 1.00 0.00 O ATOM 872 CB GLU A 83 -10.975 5.617 5.784 1.00 0.00 C ATOM 873 CG GLU A 83 -10.525 6.697 6.782 1.00 0.00 C ATOM 874 CD GLU A 83 -10.753 6.286 8.249 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.891 6.436 8.757 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.797 5.819 8.919 1.00 0.00 O ATOM 0 H GLU A 83 -8.618 5.547 5.064 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.123 3.996 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.912 6.016 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.022 5.374 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.467 6.908 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.067 7.621 6.580 1.00 0.00 H new ATOM 883 N GLU A 84 -10.241 2.793 3.926 1.00 0.00 N ATOM 884 CA GLU A 84 -10.716 1.708 3.050 1.00 0.00 C ATOM 885 C GLU A 84 -10.092 0.344 3.391 1.00 0.00 C ATOM 886 O GLU A 84 -10.778 -0.675 3.289 1.00 0.00 O ATOM 887 CB GLU A 84 -10.354 2.011 1.578 1.00 0.00 C ATOM 888 CG GLU A 84 -11.177 3.107 0.883 1.00 0.00 C ATOM 889 CD GLU A 84 -12.490 2.564 0.282 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.410 2.195 1.056 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.621 2.517 -0.959 1.00 0.00 O ATOM 0 H GLU A 84 -9.430 3.275 3.537 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.794 1.657 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.303 2.295 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.458 1.090 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.407 3.895 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.579 3.561 0.093 1.00 0.00 H new ATOM 898 N VAL A 85 -8.808 0.300 3.786 1.00 0.00 N ATOM 899 CA VAL A 85 -8.039 -0.962 3.879 1.00 0.00 C ATOM 900 C VAL A 85 -6.884 -0.997 4.907 1.00 0.00 C ATOM 901 O VAL A 85 -6.325 -2.063 5.152 1.00 0.00 O ATOM 902 CB VAL A 85 -7.626 -1.386 2.447 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.711 -0.383 1.747 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.028 -2.791 2.336 1.00 0.00 C ATOM 0 H VAL A 85 -8.274 1.128 4.049 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.703 -1.710 4.312 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.583 -1.403 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.465 -0.749 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.219 0.578 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.795 -0.261 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.771 -2.996 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.130 -2.854 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.757 -3.525 2.681 1.00 0.00 H new ATOM 914 N HIS A 86 -6.562 0.084 5.627 1.00 0.00 N ATOM 915 CA HIS A 86 -5.617 0.007 6.765 1.00 0.00 C ATOM 916 C HIS A 86 -6.142 -0.841 7.933 1.00 0.00 C ATOM 917 O HIS A 86 -7.150 -0.501 8.559 1.00 0.00 O ATOM 918 CB HIS A 86 -5.268 1.394 7.317 1.00 0.00 C ATOM 919 CG HIS A 86 -4.194 1.390 8.387 1.00 0.00 C ATOM 920 ND1 HIS A 86 -2.897 1.806 8.211 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.316 1.021 9.704 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.243 1.676 9.374 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.069 1.194 10.317 1.00 0.00 N ATOM 0 H HIS A 86 -6.934 1.017 5.450 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.730 -0.470 6.349 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.940 2.028 6.493 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.171 1.846 7.727 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.498 2.156 7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.215 0.661 10.182 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.203 1.923 9.530 1.00 0.00 H new ATOM 931 N GLY A 87 -5.429 -1.919 8.275 1.00 0.00 N ATOM 932 CA GLY A 87 -5.653 -2.694 9.501 1.00 0.00 C ATOM 933 C GLY A 87 -6.782 -3.718 9.372 1.00 0.00 C ATOM 934 O GLY A 87 -7.238 -4.291 10.357 1.00 0.00 O ATOM 0 H GLY A 87 -4.669 -2.283 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.732 -3.211 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.884 -2.010 10.318 1.00 0.00 H new ATOM 938 N LYS A 88 -7.251 -3.912 8.129 1.00 0.00 N ATOM 939 CA LYS A 88 -8.459 -4.658 7.776 1.00 0.00 C ATOM 940 C LYS A 88 -8.287 -6.174 7.881 1.00 0.00 C ATOM 941 O LYS A 88 -8.953 -6.819 8.689 1.00 0.00 O ATOM 942 CB LYS A 88 -8.820 -4.216 6.338 1.00 0.00 C ATOM 943 CG LYS A 88 -9.986 -3.223 6.324 1.00 0.00 C ATOM 944 CD LYS A 88 -9.641 -1.918 7.064 1.00 0.00 C ATOM 945 CE LYS A 88 -10.608 -0.789 6.708 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.133 0.531 7.201 1.00 0.00 N ATOM 0 H LYS A 88 -6.774 -3.535 7.310 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.260 -4.435 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.948 -3.760 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.081 -5.091 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.255 -2.995 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.859 -3.683 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.667 -2.093 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.624 -1.617 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.734 -0.748 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.588 -1.004 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.734 1.284 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.183 0.552 8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.149 0.681 6.898 1.00 0.00 H new ATOM 960 N SER A 89 -7.381 -6.686 7.056 1.00 0.00 N ATOM 961 CA SER A 89 -6.945 -8.077 6.832 1.00 0.00 C ATOM 962 C SER A 89 -7.181 -8.480 5.381 1.00 0.00 C ATOM 963 O SER A 89 -8.317 -8.574 4.911 1.00 0.00 O ATOM 964 CB SER A 89 -7.501 -9.127 7.785 1.00 0.00 C ATOM 965 OG SER A 89 -6.969 -10.404 7.475 1.00 0.00 O ATOM 0 H SER A 89 -6.861 -6.058 6.443 1.00 0.00 H new ATOM 0 HA SER A 89 -5.879 -8.063 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.254 -8.862 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.588 -9.152 7.715 1.00 0.00 H new ATOM 0 HG SER A 89 -7.333 -11.069 8.096 1.00 0.00 H new ATOM 971 N PHE A 90 -6.070 -8.722 4.693 1.00 0.00 N ATOM 972 CA PHE A 90 -6.025 -9.276 3.351 1.00 0.00 C ATOM 973 C PHE A 90 -5.164 -10.552 3.316 1.00 0.00 C ATOM 974 O PHE A 90 -4.207 -10.675 4.073 1.00 0.00 O ATOM 975 CB PHE A 90 -5.523 -8.166 2.431 1.00 0.00 C ATOM 976 CG PHE A 90 -5.798 -8.477 0.979 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.000 -9.393 0.276 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.973 -7.967 0.391 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.382 -9.816 -1.007 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.353 -8.387 -0.892 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.566 -9.324 -1.577 1.00 0.00 C ATOM 0 H PHE A 90 -5.143 -8.529 5.072 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.009 -9.597 3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.004 -7.226 2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.452 -8.029 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.092 -9.772 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.580 -7.253 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.767 -10.517 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.247 -7.991 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.874 -9.670 -2.552 1.00 0.00 H new ATOM 991 N ALA A 91 -5.506 -11.508 2.437 1.00 0.00 N ATOM 992 CA ALA A 91 -4.969 -12.878 2.339 1.00 0.00 C ATOM 993 C ALA A 91 -5.105 -13.728 3.625 1.00 0.00 C ATOM 994 O ALA A 91 -5.775 -14.763 3.615 1.00 0.00 O ATOM 995 CB ALA A 91 -3.531 -12.827 1.790 1.00 0.00 C ATOM 0 H ALA A 91 -6.215 -11.333 1.725 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.599 -13.418 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.133 -13.839 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.535 -12.367 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.906 -12.239 2.462 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.513 -13.282 4.744 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.685 -13.821 6.100 1.00 0.00 C ATOM 1003 C ASN A 92 -4.376 -12.814 7.238 1.00 0.00 C ATOM 1004 O ASN A 92 -4.522 -13.174 8.411 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.795 -15.079 6.252 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.339 -14.761 6.566 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -1.567 -14.283 5.619 1.00 0.00 O flip ATOM 1008 ND2 ASN A 92 -1.873 -14.915 7.687 1.00 0.00 N flip ATOM 0 H ASN A 92 -3.867 -12.493 4.725 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.742 -14.063 6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.200 -15.707 7.045 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.841 -15.660 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.458 -15.285 8.436 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.900 -14.673 7.872 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.912 -11.591 6.939 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.345 -10.657 7.926 1.00 0.00 C ATOM 1017 C GLN A 93 -3.433 -9.184 7.471 1.00 0.00 C ATOM 1018 O GLN A 93 -3.562 -8.908 6.274 1.00 0.00 O ATOM 1019 CB GLN A 93 -1.892 -11.091 8.226 1.00 0.00 C ATOM 1020 CG GLN A 93 -0.934 -10.998 7.027 1.00 0.00 C ATOM 1021 CD GLN A 93 0.321 -11.855 7.193 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.889 -11.993 8.269 1.00 0.00 O ATOM 1023 NE2 GLN A 93 0.797 -12.484 6.139 1.00 0.00 N ATOM 0 H GLN A 93 -3.920 -11.217 5.990 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.936 -10.703 8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.502 -10.473 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.901 -12.119 8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.461 -11.307 6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.640 -9.958 6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.338 -12.382 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.625 -13.073 6.228 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.420 -8.211 8.399 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.687 -6.810 8.074 1.00 0.00 C ATOM 1034 C PRO A 94 -2.548 -6.045 7.399 1.00 0.00 C ATOM 1035 O PRO A 94 -1.386 -6.454 7.346 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.081 -6.165 9.410 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.331 -7.004 10.437 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.409 -8.401 9.842 1.00 0.00 C ATOM 0 HA PRO A 94 -4.468 -6.767 7.315 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.786 -5.117 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.158 -6.200 9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.300 -6.671 10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.799 -6.955 11.420 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.557 -9.007 10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.307 -8.920 10.176 1.00 0.00 H new ATOM 1046 N LEU A 95 -2.957 -4.890 6.873 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.195 -3.950 6.069 1.00 0.00 C ATOM 1048 C LEU A 95 -1.700 -2.754 6.894 1.00 0.00 C ATOM 1049 O LEU A 95 -2.347 -2.347 7.857 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.167 -3.420 5.001 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.670 -4.367 3.910 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.576 -5.269 3.382 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.865 -5.184 4.364 1.00 0.00 C ATOM 0 H LEU A 95 -3.914 -4.566 7.014 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.320 -4.450 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.040 -3.025 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.683 -2.578 4.506 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.997 -3.729 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.984 -5.922 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.776 -4.661 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.179 -5.874 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.185 -5.841 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.587 -5.784 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.682 -4.515 4.633 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.636 -2.103 6.421 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.102 -0.845 6.977 1.00 0.00 C ATOM 1067 C GLU A 96 -0.153 0.268 5.909 1.00 0.00 C ATOM 1068 O GLU A 96 0.807 0.960 5.569 1.00 0.00 O ATOM 1069 CB GLU A 96 1.289 -1.102 7.561 1.00 0.00 C ATOM 1070 CG GLU A 96 1.726 -0.048 8.579 1.00 0.00 C ATOM 1071 CD GLU A 96 3.236 -0.172 8.843 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.673 -1.139 9.515 1.00 0.00 O ATOM 1073 OE2 GLU A 96 4.002 0.697 8.365 1.00 0.00 O ATOM 0 H GLU A 96 -0.103 -2.440 5.619 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.718 -0.486 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.299 -2.082 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.015 -1.135 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.494 0.949 8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.173 -0.177 9.510 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.335 0.389 5.318 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.712 1.377 4.299 1.00 0.00 C ATOM 1082 C VAL A 97 -1.627 2.751 4.953 1.00 0.00 C ATOM 1083 O VAL A 97 -2.516 3.071 5.743 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.164 1.092 3.890 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.823 2.132 2.996 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.263 -0.257 3.172 1.00 0.00 C ATOM 0 H VAL A 97 -2.108 -0.236 5.547 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.065 1.333 3.423 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.702 1.106 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.845 1.825 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.837 3.095 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.260 2.222 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.299 -0.443 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.640 -0.240 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.921 -1.049 3.838 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.563 3.540 4.764 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.345 4.693 5.644 1.00 0.00 C ATOM 1098 C VAL A 98 0.500 5.793 4.972 1.00 0.00 C ATOM 1099 O VAL A 98 0.147 6.330 3.909 1.00 0.00 O ATOM 1100 CB VAL A 98 0.119 4.091 7.020 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.603 3.865 7.376 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.709 4.719 8.126 1.00 0.00 C ATOM 0 H VAL A 98 0.139 3.409 4.036 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.240 5.280 5.851 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.079 3.028 6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.676 3.441 8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.049 3.178 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.133 4.817 7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.399 4.312 9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.560 5.799 8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.764 4.498 7.961 1.00 0.00 H new ATOM 1112 N TYR A 99 1.661 6.087 5.534 1.00 0.00 N ATOM 1113 CA TYR A 99 2.726 6.929 4.996 1.00 0.00 C ATOM 1114 C TYR A 99 4.019 6.119 4.735 1.00 0.00 C ATOM 1115 O TYR A 99 5.054 6.678 4.377 1.00 0.00 O ATOM 1116 CB TYR A 99 2.925 8.078 5.986 1.00 0.00 C ATOM 1117 CG TYR A 99 1.666 8.830 6.410 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.606 9.049 5.507 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.561 9.326 7.728 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.529 9.787 5.892 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.420 10.051 8.123 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.627 10.290 7.208 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.714 11.011 7.596 1.00 0.00 O ATOM 0 H TYR A 99 1.906 5.715 6.452 1.00 0.00 H new ATOM 0 HA TYR A 99 2.454 7.331 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.404 7.680 6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.619 8.794 5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.666 8.645 4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.358 9.149 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.323 9.968 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.346 10.426 9.133 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.613 11.276 8.534 1.00 0.00 H new ATOM 1133 N SER A 100 3.930 4.790 4.844 1.00 0.00 N ATOM 1134 CA SER A 100 4.995 3.779 4.824 1.00 0.00 C ATOM 1135 C SER A 100 6.276 4.104 5.634 1.00 0.00 C ATOM 1136 O SER A 100 6.315 5.069 6.404 1.00 0.00 O ATOM 1137 CB SER A 100 5.160 3.204 3.411 1.00 0.00 C ATOM 1138 OG SER A 100 6.202 2.271 3.222 1.00 0.00 O ATOM 0 H SER A 100 3.017 4.349 4.960 1.00 0.00 H new ATOM 0 HA SER A 100 4.661 2.943 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.222 2.728 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.318 4.034 2.723 1.00 0.00 H new ATOM 0 HG SER A 100 6.210 1.974 2.288 1.00 0.00 H new