USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 801 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 67 THR OG1 : rot -100:sc= 1.27 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.1: A 5 ASN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.2: A 9 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.00818 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.938 USER MOD Single : A 3 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -84:sc= 1.14 USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 60:sc= 0.835 USER MOD Single : A 36 CYS SG : rot -26:sc= 0.0348 USER MOD Single : A 40 SER OG : rot 180:sc= 0.125 USER MOD Single : A 41 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.16) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 0.186 (180deg=-0.185) USER MOD Single : A 49 ASN : amide:sc= -0.609 K(o=-0.61,f=0) USER MOD Single : A 52 MET CE :methyl 152:sc= -0.0978 (180deg=-1.66) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -14:sc= 1.19 USER MOD Single : A 89 GLN : amide:sc= -0.812 K(o=-0.81,f=-2.6!) USER MOD Single : A 102 HIS : no HD1:sc=-0.00718 X(o=-0.0072,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.506 5.323 -9.487 1.00 23.41 N ATOM 2 CA GLY A 1 3.345 4.195 -9.018 1.00 73.53 C ATOM 3 C GLY A 1 4.541 4.677 -8.226 1.00 72.31 C ATOM 4 O GLY A 1 5.156 5.689 -8.565 1.00 14.41 O ATOM 0 H1 GLY A 1 2.179 5.133 -10.456 1.00 23.41 H new ATOM 0 H2 GLY A 1 1.684 5.429 -8.858 1.00 23.41 H new ATOM 0 H3 GLY A 1 3.065 6.200 -9.476 1.00 23.41 H new ATOM 0 HA2 GLY A 1 2.745 3.528 -8.400 1.00 73.53 H new ATOM 0 HA3 GLY A 1 3.686 3.615 -9.875 1.00 73.53 H new ATOM 10 N SER A 2 4.871 3.957 -7.166 1.00 3.14 N ATOM 11 CA SER A 2 5.965 4.342 -6.298 1.00 5.32 C ATOM 12 C SER A 2 7.307 4.094 -6.977 1.00 72.52 C ATOM 13 O SER A 2 7.678 2.953 -7.262 1.00 22.34 O ATOM 14 CB SER A 2 5.889 3.583 -4.970 1.00 20.22 C ATOM 15 OG SER A 2 6.919 3.999 -4.083 1.00 30.24 O ATOM 0 H SER A 2 4.393 3.100 -6.888 1.00 3.14 H new ATOM 0 HA SER A 2 5.878 5.409 -6.093 1.00 5.32 H new ATOM 0 HB2 SER A 2 4.917 3.751 -4.507 1.00 20.22 H new ATOM 0 HB3 SER A 2 5.974 2.512 -5.154 1.00 20.22 H new ATOM 0 HG SER A 2 6.847 3.501 -3.242 1.00 30.24 H new ATOM 21 N HIS A 3 8.012 5.177 -7.260 1.00 74.30 N ATOM 22 CA HIS A 3 9.366 5.108 -7.785 1.00 71.34 C ATOM 23 C HIS A 3 10.278 5.971 -6.921 1.00 55.41 C ATOM 24 O HIS A 3 9.795 6.725 -6.077 1.00 61.04 O ATOM 25 CB HIS A 3 9.415 5.566 -9.248 1.00 10.31 C ATOM 26 CG HIS A 3 8.798 4.594 -10.212 1.00 15.43 C ATOM 27 ND1 HIS A 3 9.532 3.666 -10.920 1.00 31.20 N ATOM 28 CD2 HIS A 3 7.506 4.406 -10.582 1.00 75.30 C ATOM 29 CE1 HIS A 3 8.723 2.954 -11.682 1.00 4.51 C ATOM 30 NE2 HIS A 3 7.489 3.382 -11.496 1.00 64.22 N ATOM 0 H HIS A 3 7.663 6.127 -7.133 1.00 74.30 H new ATOM 0 HA HIS A 3 9.707 4.073 -7.756 1.00 71.34 H new ATOM 0 HB2 HIS A 3 8.903 6.524 -9.336 1.00 10.31 H new ATOM 0 HB3 HIS A 3 10.454 5.733 -9.531 1.00 10.31 H new ATOM 0 HD2 HIS A 3 6.650 4.959 -10.224 1.00 75.30 H new ATOM 0 HE1 HIS A 3 9.021 2.156 -12.346 1.00 4.51 H new ATOM 0 HE2 HIS A 3 6.657 3.012 -11.957 1.00 64.22 H new ATOM 39 N MET A 4 11.580 5.868 -7.132 1.00 24.22 N ATOM 40 CA MET A 4 12.550 6.576 -6.297 1.00 74.34 C ATOM 41 C MET A 4 12.456 8.087 -6.500 1.00 53.14 C ATOM 42 O MET A 4 12.479 8.859 -5.538 1.00 34.52 O ATOM 43 CB MET A 4 13.970 6.093 -6.611 1.00 33.23 C ATOM 44 CG MET A 4 15.044 6.713 -5.730 1.00 44.04 C ATOM 45 SD MET A 4 14.821 6.325 -3.981 1.00 70.34 S ATOM 46 CE MET A 4 16.253 7.133 -3.272 1.00 13.33 C ATOM 0 H MET A 4 11.994 5.302 -7.873 1.00 24.22 H new ATOM 0 HA MET A 4 12.318 6.358 -5.254 1.00 74.34 H new ATOM 0 HB2 MET A 4 14.006 5.009 -6.502 1.00 33.23 H new ATOM 0 HB3 MET A 4 14.196 6.316 -7.654 1.00 33.23 H new ATOM 0 HG2 MET A 4 16.023 6.360 -6.054 1.00 44.04 H new ATOM 0 HG3 MET A 4 15.036 7.795 -5.862 1.00 44.04 H new ATOM 0 HE1 MET A 4 16.258 6.984 -2.192 1.00 13.33 H new ATOM 0 HE2 MET A 4 17.160 6.708 -3.701 1.00 13.33 H new ATOM 0 HE3 MET A 4 16.214 8.200 -3.491 1.00 13.33 H new ATOM 56 N ASN A 5 12.325 8.500 -7.755 1.00 22.52 N ATOM 57 CA ASN A 5 12.295 9.918 -8.107 1.00 73.11 C ATOM 58 C ASN A 5 11.154 10.657 -7.408 1.00 10.31 C ATOM 59 O ASN A 5 11.346 11.762 -6.901 1.00 10.11 O ATOM 60 CB ASN A 5 12.171 10.086 -9.625 1.00 53.32 C ATOM 61 CG ASN A 5 12.059 11.543 -10.043 1.00 53.24 C ATOM 62 OD1 ASN A 5 10.961 12.085 -10.148 1.00 40.34 O ATOM 63 ND2 ASN A 5 13.194 12.179 -10.287 1.00 4.12 N ATOM 0 H ASN A 5 12.237 7.870 -8.552 1.00 22.52 H new ATOM 0 HA ASN A 5 13.233 10.357 -7.767 1.00 73.11 H new ATOM 0 HB2 ASN A 5 13.039 9.638 -10.109 1.00 53.32 H new ATOM 0 HB3 ASN A 5 11.294 9.542 -9.977 1.00 53.32 H new ATOM 0 HD21 ASN A 5 13.179 13.158 -10.575 1.00 4.12 H new ATOM 0 HD22 ASN A 5 14.084 11.691 -10.187 1.00 4.12 H new ATOM 70 N ARG A 6 9.976 10.039 -7.357 1.00 70.34 N ATOM 71 CA ARG A 6 8.799 10.702 -6.800 1.00 45.50 C ATOM 72 C ARG A 6 8.969 10.986 -5.308 1.00 22.34 C ATOM 73 O ARG A 6 8.391 11.934 -4.779 1.00 1.32 O ATOM 74 CB ARG A 6 7.531 9.899 -7.060 1.00 34.52 C ATOM 75 CG ARG A 6 7.471 8.582 -6.336 1.00 35.22 C ATOM 76 CD ARG A 6 6.691 8.685 -5.032 1.00 55.24 C ATOM 77 NE ARG A 6 6.707 7.436 -4.268 1.00 65.22 N ATOM 78 CZ ARG A 6 6.214 7.319 -3.033 1.00 12.53 C ATOM 79 NH1 ARG A 6 5.686 8.375 -2.429 1.00 43.31 N ATOM 80 NH2 ARG A 6 6.249 6.147 -2.410 1.00 11.12 N ATOM 0 H ARG A 6 9.811 9.089 -7.691 1.00 70.34 H new ATOM 0 HA ARG A 6 8.697 11.659 -7.311 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.669 10.499 -6.769 1.00 34.52 H new ATOM 0 HB3 ARG A 6 7.445 9.715 -8.131 1.00 34.52 H new ATOM 0 HG2 ARG A 6 7.006 7.835 -6.979 1.00 35.22 H new ATOM 0 HG3 ARG A 6 8.483 8.236 -6.127 1.00 35.22 H new ATOM 0 HD2 ARG A 6 7.112 9.485 -4.423 1.00 55.24 H new ATOM 0 HD3 ARG A 6 5.659 8.960 -5.251 1.00 55.24 H new ATOM 0 HE ARG A 6 7.117 6.610 -4.703 1.00 65.22 H new ATOM 0 HH11 ARG A 6 5.657 9.275 -2.908 1.00 43.31 H new ATOM 0 HH12 ARG A 6 5.309 8.287 -1.485 1.00 43.31 H new ATOM 0 HH21 ARG A 6 6.653 5.334 -2.875 1.00 11.12 H new ATOM 0 HH22 ARG A 6 5.872 6.060 -1.466 1.00 11.12 H new ATOM 94 N PHE A 7 9.769 10.165 -4.638 1.00 61.03 N ATOM 95 CA PHE A 7 10.018 10.341 -3.214 1.00 54.10 C ATOM 96 C PHE A 7 10.924 11.547 -2.994 1.00 14.21 C ATOM 97 O PHE A 7 10.618 12.440 -2.201 1.00 1.24 O ATOM 98 CB PHE A 7 10.654 9.077 -2.626 1.00 72.25 C ATOM 99 CG PHE A 7 10.803 9.116 -1.130 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.732 8.799 -0.309 1.00 52.24 C ATOM 101 CD2 PHE A 7 12.009 9.468 -0.547 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.863 8.834 1.067 1.00 13.43 C ATOM 103 CE2 PHE A 7 12.145 9.505 0.828 1.00 61.21 C ATOM 104 CZ PHE A 7 11.071 9.187 1.635 1.00 73.30 C ATOM 0 H PHE A 7 10.255 9.373 -5.058 1.00 61.03 H new ATOM 0 HA PHE A 7 9.070 10.516 -2.705 1.00 54.10 H new ATOM 0 HB2 PHE A 7 10.047 8.214 -2.900 1.00 72.25 H new ATOM 0 HB3 PHE A 7 11.636 8.931 -3.077 1.00 72.25 H new ATOM 0 HD1 PHE A 7 8.785 8.522 -0.749 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.853 9.716 -1.174 1.00 4.00 H new ATOM 0 HE1 PHE A 7 9.022 8.586 1.697 1.00 13.43 H new ATOM 0 HE2 PHE A 7 13.090 9.782 1.271 1.00 61.21 H new ATOM 0 HZ PHE A 7 11.176 9.214 2.710 1.00 73.30 H new ATOM 114 N LEU A 8 12.028 11.584 -3.727 1.00 52.30 N ATOM 115 CA LEU A 8 12.964 12.691 -3.629 1.00 12.42 C ATOM 116 C LEU A 8 12.293 13.995 -4.048 1.00 4.34 C ATOM 117 O LEU A 8 12.485 15.028 -3.414 1.00 54.30 O ATOM 118 CB LEU A 8 14.201 12.428 -4.493 1.00 73.45 C ATOM 119 CG LEU A 8 15.019 11.195 -4.101 1.00 4.01 C ATOM 120 CD1 LEU A 8 16.197 11.015 -5.045 1.00 63.33 C ATOM 121 CD2 LEU A 8 15.502 11.308 -2.661 1.00 0.01 C ATOM 0 H LEU A 8 12.296 10.861 -4.395 1.00 52.30 H new ATOM 0 HA LEU A 8 13.281 12.781 -2.590 1.00 12.42 H new ATOM 0 HB2 LEU A 8 13.884 12.319 -5.530 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.849 13.303 -4.448 1.00 73.45 H new ATOM 0 HG LEU A 8 14.377 10.318 -4.180 1.00 4.01 H new ATOM 0 HD11 LEU A 8 16.767 10.134 -4.751 1.00 63.33 H new ATOM 0 HD12 LEU A 8 15.831 10.887 -6.064 1.00 63.33 H new ATOM 0 HD13 LEU A 8 16.839 11.895 -4.998 1.00 63.33 H new ATOM 0 HD21 LEU A 8 16.081 10.422 -2.401 1.00 0.01 H new ATOM 0 HD22 LEU A 8 16.127 12.195 -2.555 1.00 0.01 H new ATOM 0 HD23 LEU A 8 14.643 11.388 -1.994 1.00 0.01 H new ATOM 133 N THR A 9 11.483 13.929 -5.100 1.00 50.43 N ATOM 134 CA THR A 9 10.782 15.104 -5.608 1.00 11.00 C ATOM 135 C THR A 9 9.818 15.678 -4.565 1.00 63.12 C ATOM 136 O THR A 9 9.718 16.895 -4.412 1.00 22.31 O ATOM 137 CB THR A 9 10.013 14.774 -6.905 1.00 3.51 C ATOM 138 OG1 THR A 9 10.918 14.247 -7.882 1.00 24.21 O ATOM 139 CG2 THR A 9 9.328 16.012 -7.469 1.00 32.31 C ATOM 0 H THR A 9 11.295 13.071 -5.619 1.00 50.43 H new ATOM 0 HA THR A 9 11.539 15.857 -5.829 1.00 11.00 H new ATOM 0 HB THR A 9 9.249 14.034 -6.667 1.00 3.51 H new ATOM 0 HG1 THR A 9 11.162 13.329 -7.641 1.00 24.21 H new ATOM 0 HG21 THR A 9 8.794 15.748 -8.382 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.622 16.403 -6.736 1.00 32.31 H new ATOM 0 HG23 THR A 9 10.077 16.772 -7.693 1.00 32.31 H new ATOM 147 N SER A 10 9.125 14.809 -3.834 1.00 65.42 N ATOM 148 CA SER A 10 8.190 15.266 -2.814 1.00 14.20 C ATOM 149 C SER A 10 8.937 15.829 -1.606 1.00 60.34 C ATOM 150 O SER A 10 8.502 16.815 -1.003 1.00 33.45 O ATOM 151 CB SER A 10 7.235 14.140 -2.406 1.00 14.00 C ATOM 152 OG SER A 10 7.918 12.910 -2.259 1.00 11.13 O ATOM 0 H SER A 10 9.193 13.796 -3.928 1.00 65.42 H new ATOM 0 HA SER A 10 7.590 16.071 -3.237 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.744 14.399 -1.468 1.00 14.00 H new ATOM 0 HB3 SER A 10 6.452 14.035 -3.157 1.00 14.00 H new ATOM 0 HG SER A 10 8.004 12.477 -3.134 1.00 11.13 H new ATOM 158 N ILE A 11 10.070 15.215 -1.264 1.00 41.21 N ATOM 159 CA ILE A 11 10.948 15.766 -0.234 1.00 43.24 C ATOM 160 C ILE A 11 11.410 17.166 -0.644 1.00 34.21 C ATOM 161 O ILE A 11 11.345 18.109 0.144 1.00 51.11 O ATOM 162 CB ILE A 11 12.179 14.863 0.020 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.741 13.481 0.518 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.130 15.510 1.020 1.00 53.04 C ATOM 165 CD1 ILE A 11 10.947 13.516 1.810 1.00 53.14 C ATOM 0 H ILE A 11 10.398 14.344 -1.681 1.00 41.21 H new ATOM 0 HA ILE A 11 10.378 15.818 0.694 1.00 43.24 H new ATOM 0 HB ILE A 11 12.708 14.740 -0.925 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.139 13.002 -0.254 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.626 12.861 0.663 1.00 0.25 H new ATOM 0 HG21 ILE A 11 13.987 14.857 1.182 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.473 16.468 0.629 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.611 15.669 1.965 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.674 12.501 2.097 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.553 13.965 2.597 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.043 14.108 1.666 1.00 53.14 H new ATOM 177 N VAL A 12 11.855 17.287 -1.892 1.00 21.55 N ATOM 178 CA VAL A 12 12.244 18.575 -2.460 1.00 14.34 C ATOM 179 C VAL A 12 11.087 19.572 -2.401 1.00 13.44 C ATOM 180 O VAL A 12 11.285 20.744 -2.085 1.00 43.23 O ATOM 181 CB VAL A 12 12.718 18.425 -3.926 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.924 19.783 -4.575 1.00 52.52 C ATOM 183 CG2 VAL A 12 14.002 17.616 -3.993 1.00 24.24 C ATOM 0 H VAL A 12 11.956 16.501 -2.534 1.00 21.55 H new ATOM 0 HA VAL A 12 13.072 18.952 -1.860 1.00 14.34 H new ATOM 0 HB VAL A 12 11.939 17.896 -4.475 1.00 35.21 H new ATOM 0 HG11 VAL A 12 13.257 19.648 -5.604 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.985 20.336 -4.567 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.678 20.341 -4.020 1.00 52.52 H new ATOM 0 HG21 VAL A 12 14.319 17.522 -5.032 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.780 18.121 -3.421 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.829 16.624 -3.575 1.00 24.24 H new ATOM 193 N ALA A 13 9.883 19.097 -2.702 1.00 44.22 N ATOM 194 CA ALA A 13 8.690 19.935 -2.645 1.00 63.42 C ATOM 195 C ALA A 13 8.507 20.522 -1.251 1.00 5.15 C ATOM 196 O ALA A 13 8.276 21.718 -1.102 1.00 60.31 O ATOM 197 CB ALA A 13 7.458 19.141 -3.056 1.00 50.45 C ATOM 0 H ALA A 13 9.707 18.134 -2.989 1.00 44.22 H new ATOM 0 HA ALA A 13 8.820 20.759 -3.347 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.578 19.783 -3.007 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.584 18.775 -4.075 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.328 18.295 -2.381 1.00 50.45 H new ATOM 203 N TRP A 14 8.627 19.675 -0.237 1.00 34.42 N ATOM 204 CA TRP A 14 8.554 20.113 1.154 1.00 42.25 C ATOM 205 C TRP A 14 9.654 21.133 1.460 1.00 70.10 C ATOM 206 O TRP A 14 9.394 22.203 2.025 1.00 3.04 O ATOM 207 CB TRP A 14 8.661 18.891 2.078 1.00 32.24 C ATOM 208 CG TRP A 14 8.892 19.212 3.527 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.162 20.052 4.316 1.00 2.33 C ATOM 210 CD2 TRP A 14 9.923 18.672 4.363 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.683 20.077 5.589 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.765 19.237 5.641 1.00 5.51 C ATOM 213 CE3 TRP A 14 10.966 17.769 4.148 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.613 18.923 6.703 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.804 17.458 5.200 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.625 18.034 6.464 1.00 73.14 C ATOM 0 H TRP A 14 8.777 18.673 -0.352 1.00 34.42 H new ATOM 0 HA TRP A 14 7.596 20.604 1.327 1.00 42.25 H new ATOM 0 HB2 TRP A 14 7.745 18.307 1.992 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.476 18.258 1.727 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.301 20.615 3.989 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.323 20.630 6.367 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.114 17.322 3.176 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.476 19.366 7.679 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.612 16.758 5.046 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.299 17.771 7.266 1.00 73.14 H new ATOM 227 N LEU A 15 10.877 20.805 1.059 1.00 2.10 N ATOM 228 CA LEU A 15 12.023 21.669 1.312 1.00 34.45 C ATOM 229 C LEU A 15 11.849 23.027 0.643 1.00 0.13 C ATOM 230 O LEU A 15 12.066 24.064 1.269 1.00 34.54 O ATOM 231 CB LEU A 15 13.313 21.008 0.821 1.00 11.03 C ATOM 232 CG LEU A 15 13.640 19.664 1.471 1.00 31.04 C ATOM 233 CD1 LEU A 15 14.998 19.167 1.006 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.598 19.782 2.988 1.00 64.45 C ATOM 0 H LEU A 15 11.100 19.946 0.557 1.00 2.10 H new ATOM 0 HA LEU A 15 12.089 21.823 2.389 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.242 20.865 -0.257 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.143 21.691 0.998 1.00 11.03 H new ATOM 0 HG LEU A 15 12.887 18.937 1.165 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.216 18.209 1.478 1.00 61.44 H new ATOM 0 HD12 LEU A 15 14.989 19.044 -0.077 1.00 61.44 H new ATOM 0 HD13 LEU A 15 15.765 19.891 1.283 1.00 61.44 H new ATOM 0 HD21 LEU A 15 13.833 18.816 3.435 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.329 20.521 3.316 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.602 20.094 3.301 1.00 64.45 H new ATOM 246 N ARG A 16 11.446 23.023 -0.624 1.00 2.41 N ATOM 247 CA ARG A 16 11.267 24.268 -1.355 1.00 31.15 C ATOM 248 C ARG A 16 10.044 25.019 -0.830 1.00 5.31 C ATOM 249 O ARG A 16 10.014 26.241 -0.843 1.00 11.03 O ATOM 250 CB ARG A 16 11.165 24.023 -2.869 1.00 12.41 C ATOM 251 CG ARG A 16 9.820 23.499 -3.344 1.00 75.42 C ATOM 252 CD ARG A 16 9.855 23.133 -4.823 1.00 13.34 C ATOM 253 NE ARG A 16 10.461 24.186 -5.641 1.00 41.44 N ATOM 254 CZ ARG A 16 10.213 24.371 -6.939 1.00 71.15 C ATOM 255 NH1 ARG A 16 9.340 23.601 -7.577 1.00 44.40 N ATOM 256 NH2 ARG A 16 10.848 25.330 -7.597 1.00 61.31 N ATOM 0 H ARG A 16 11.240 22.180 -1.159 1.00 2.41 H new ATOM 0 HA ARG A 16 12.148 24.888 -1.190 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.378 24.957 -3.389 1.00 12.41 H new ATOM 0 HB3 ARG A 16 11.939 23.312 -3.160 1.00 12.41 H new ATOM 0 HG2 ARG A 16 9.542 22.623 -2.758 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.053 24.254 -3.173 1.00 75.42 H new ATOM 0 HD2 ARG A 16 10.415 22.207 -4.953 1.00 13.34 H new ATOM 0 HD3 ARG A 16 8.840 22.943 -5.172 1.00 13.34 H new ATOM 0 HE ARG A 16 11.118 24.821 -5.187 1.00 41.44 H new ATOM 0 HH11 ARG A 16 8.852 22.860 -7.075 1.00 44.40 H new ATOM 0 HH12 ARG A 16 9.158 23.751 -8.569 1.00 44.40 H new ATOM 0 HH21 ARG A 16 11.522 25.922 -7.111 1.00 61.31 H new ATOM 0 HH22 ARG A 16 10.663 25.476 -8.589 1.00 61.31 H new ATOM 270 N ALA A 17 9.047 24.284 -0.341 1.00 2.12 N ATOM 271 CA ALA A 17 7.894 24.907 0.296 1.00 33.54 C ATOM 272 C ALA A 17 8.339 25.646 1.548 1.00 24.54 C ATOM 273 O ALA A 17 7.785 26.689 1.905 1.00 1.33 O ATOM 274 CB ALA A 17 6.834 23.871 0.638 1.00 34.13 C ATOM 0 H ALA A 17 9.016 23.265 -0.374 1.00 2.12 H new ATOM 0 HA ALA A 17 7.452 25.618 -0.402 1.00 33.54 H new ATOM 0 HB1 ALA A 17 5.985 24.362 1.112 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.503 23.374 -0.274 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.254 23.133 1.321 1.00 34.13 H new ATOM 280 N GLY A 18 9.345 25.091 2.215 1.00 51.14 N ATOM 281 CA GLY A 18 9.946 25.761 3.349 1.00 30.22 C ATOM 282 C GLY A 18 10.681 27.035 2.957 1.00 44.24 C ATOM 283 O GLY A 18 10.768 27.971 3.751 1.00 11.14 O ATOM 0 H GLY A 18 9.755 24.185 1.988 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.170 26.003 4.076 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.642 25.081 3.840 1.00 30.22 H new ATOM 287 N TYR A 19 11.198 27.082 1.732 1.00 34.05 N ATOM 288 CA TYR A 19 11.959 28.241 1.270 1.00 45.12 C ATOM 289 C TYR A 19 11.706 28.513 -0.211 1.00 10.22 C ATOM 290 O TYR A 19 12.527 28.166 -1.059 1.00 41.13 O ATOM 291 CB TYR A 19 13.463 28.044 1.498 1.00 74.13 C ATOM 292 CG TYR A 19 13.889 28.085 2.948 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.030 29.295 3.614 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.155 26.915 3.649 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.424 29.340 4.937 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.548 26.951 4.972 1.00 73.24 C ATOM 297 CZ TYR A 19 14.682 28.167 5.611 1.00 34.14 C ATOM 298 OH TYR A 19 15.071 28.206 6.929 1.00 52.11 O ATOM 0 H TYR A 19 11.105 26.335 1.044 1.00 34.05 H new ATOM 0 HA TYR A 19 11.620 29.098 1.852 1.00 45.12 H new ATOM 0 HB2 TYR A 19 13.759 27.085 1.073 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.004 28.816 0.952 1.00 74.13 H new ATOM 0 HD1 TYR A 19 13.828 30.217 3.089 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.053 25.962 3.151 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.529 30.290 5.440 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.749 26.033 5.504 1.00 73.24 H new ATOM 0 HH TYR A 19 14.981 27.313 7.323 1.00 52.11 H new ATOM 308 N PRO A 20 10.563 29.137 -0.548 1.00 2.25 N ATOM 309 CA PRO A 20 10.237 29.485 -1.937 1.00 33.00 C ATOM 310 C PRO A 20 11.083 30.655 -2.426 1.00 63.40 C ATOM 311 O PRO A 20 11.043 31.041 -3.594 1.00 22.41 O ATOM 312 CB PRO A 20 8.760 29.873 -1.867 1.00 62.04 C ATOM 313 CG PRO A 20 8.559 30.345 -0.468 1.00 43.04 C ATOM 314 CD PRO A 20 9.496 29.535 0.388 1.00 11.52 C ATOM 0 HA PRO A 20 10.434 28.670 -2.634 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.522 30.656 -2.587 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.116 29.023 -2.095 1.00 62.04 H new ATOM 0 HG2 PRO A 20 8.775 31.410 -0.382 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.525 30.203 -0.154 1.00 43.04 H new ATOM 0 HD2 PRO A 20 9.889 30.122 1.218 1.00 11.52 H new ATOM 0 HD3 PRO A 20 8.997 28.667 0.819 1.00 11.52 H new ATOM 322 N GLU A 21 11.846 31.212 -1.501 1.00 2.11 N ATOM 323 CA GLU A 21 12.758 32.306 -1.787 1.00 73.24 C ATOM 324 C GLU A 21 14.170 31.767 -1.985 1.00 20.44 C ATOM 325 O GLU A 21 15.119 32.521 -2.207 1.00 40.30 O ATOM 326 CB GLU A 21 12.716 33.316 -0.633 1.00 43.24 C ATOM 327 CG GLU A 21 13.013 32.702 0.730 1.00 22.23 C ATOM 328 CD GLU A 21 12.532 33.563 1.882 1.00 20.12 C ATOM 329 OE1 GLU A 21 11.306 33.746 2.011 1.00 51.00 O ATOM 330 OE2 GLU A 21 13.374 34.045 2.667 1.00 52.40 O ATOM 0 H GLU A 21 11.850 30.916 -0.525 1.00 2.11 H new ATOM 0 HA GLU A 21 12.454 32.809 -2.705 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.438 34.109 -0.829 1.00 43.24 H new ATOM 0 HB3 GLU A 21 11.731 33.781 -0.605 1.00 43.24 H new ATOM 0 HG2 GLU A 21 12.539 31.722 0.793 1.00 22.23 H new ATOM 0 HG3 GLU A 21 14.087 32.543 0.825 1.00 22.23 H new ATOM 337 N GLY A 22 14.292 30.446 -1.925 1.00 34.52 N ATOM 338 CA GLY A 22 15.588 29.811 -2.008 1.00 33.44 C ATOM 339 C GLY A 22 16.215 29.660 -0.641 1.00 53.53 C ATOM 340 O GLY A 22 16.103 30.560 0.194 1.00 11.30 O ATOM 0 H GLY A 22 13.508 29.802 -1.820 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.486 28.831 -2.474 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.244 30.401 -2.648 1.00 33.44 H new ATOM 344 N ILE A 23 16.855 28.526 -0.396 1.00 21.02 N ATOM 345 CA ILE A 23 17.492 28.280 0.891 1.00 2.44 C ATOM 346 C ILE A 23 18.803 29.047 0.991 1.00 35.10 C ATOM 347 O ILE A 23 19.713 28.843 0.182 1.00 4.14 O ATOM 348 CB ILE A 23 17.782 26.781 1.126 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.518 25.949 0.913 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.336 26.559 2.534 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.756 24.460 1.025 1.00 33.31 C ATOM 0 H ILE A 23 16.947 27.764 -1.068 1.00 21.02 H new ATOM 0 HA ILE A 23 16.791 28.621 1.653 1.00 2.44 H new ATOM 0 HB ILE A 23 18.532 26.459 0.403 1.00 73.03 H new ATOM 0 HG12 ILE A 23 15.768 26.246 1.646 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.107 26.171 -0.072 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.535 25.498 2.684 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.262 27.122 2.654 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.607 26.899 3.270 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.818 23.928 0.863 1.00 33.31 H new ATOM 0 HD12 ILE A 23 17.483 24.150 0.274 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.139 24.226 2.019 1.00 33.31 H new ATOM 363 N PRO A 24 18.896 29.968 1.957 1.00 3.32 N ATOM 364 CA PRO A 24 20.138 30.673 2.244 1.00 71.45 C ATOM 365 C PRO A 24 21.234 29.701 2.689 1.00 31.25 C ATOM 366 O PRO A 24 20.944 28.641 3.249 1.00 10.15 O ATOM 367 CB PRO A 24 19.793 31.650 3.371 1.00 34.22 C ATOM 368 CG PRO A 24 18.329 31.516 3.647 1.00 32.44 C ATOM 369 CD PRO A 24 17.788 30.381 2.825 1.00 74.45 C ATOM 0 HA PRO A 24 20.523 31.184 1.362 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.374 31.425 4.265 1.00 34.22 H new ATOM 0 HB3 PRO A 24 20.037 32.672 3.081 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.160 31.329 4.707 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.811 32.443 3.400 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.458 29.558 3.459 1.00 74.45 H new ATOM 0 HD3 PRO A 24 16.925 30.697 2.238 1.00 74.45 H new ATOM 377 N PRO A 25 22.508 30.055 2.453 1.00 35.02 N ATOM 378 CA PRO A 25 23.646 29.153 2.685 1.00 12.04 C ATOM 379 C PRO A 25 23.758 28.654 4.122 1.00 11.40 C ATOM 380 O PRO A 25 24.237 27.545 4.360 1.00 22.20 O ATOM 381 CB PRO A 25 24.869 30.005 2.321 1.00 2.20 C ATOM 382 CG PRO A 25 24.388 31.415 2.345 1.00 24.32 C ATOM 383 CD PRO A 25 22.946 31.359 1.935 1.00 72.20 C ATOM 0 HA PRO A 25 23.542 28.243 2.094 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.680 29.854 3.034 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.256 29.738 1.337 1.00 2.20 H new ATOM 0 HG2 PRO A 25 24.496 31.849 3.339 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.966 32.037 1.661 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.371 32.179 2.366 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.831 31.423 0.853 1.00 72.20 H new ATOM 391 N THR A 26 23.316 29.462 5.071 1.00 51.12 N ATOM 392 CA THR A 26 23.415 29.100 6.475 1.00 71.04 C ATOM 393 C THR A 26 22.516 27.909 6.805 1.00 51.20 C ATOM 394 O THR A 26 22.994 26.860 7.246 1.00 74.44 O ATOM 395 CB THR A 26 23.038 30.294 7.370 1.00 21.22 C ATOM 396 OG1 THR A 26 23.749 31.462 6.938 1.00 52.23 O ATOM 397 CG2 THR A 26 23.366 30.008 8.829 1.00 51.12 C ATOM 0 H THR A 26 22.886 30.370 4.896 1.00 51.12 H new ATOM 0 HA THR A 26 24.450 28.818 6.669 1.00 71.04 H new ATOM 0 HB THR A 26 21.964 30.461 7.285 1.00 21.22 H new ATOM 0 HG1 THR A 26 23.507 32.222 7.508 1.00 52.23 H new ATOM 0 HG21 THR A 26 23.090 30.868 9.439 1.00 51.12 H new ATOM 0 HG22 THR A 26 22.809 29.132 9.162 1.00 51.12 H new ATOM 0 HG23 THR A 26 24.435 29.819 8.931 1.00 51.12 H new ATOM 405 N ASP A 27 21.223 28.055 6.525 1.00 40.23 N ATOM 406 CA ASP A 27 20.226 27.065 6.938 1.00 64.21 C ATOM 407 C ASP A 27 20.226 25.845 6.033 1.00 23.45 C ATOM 408 O ASP A 27 19.499 24.883 6.277 1.00 13.20 O ATOM 409 CB ASP A 27 18.821 27.676 7.000 1.00 62.14 C ATOM 410 CG ASP A 27 18.527 28.631 5.873 1.00 1.21 C ATOM 411 OD1 ASP A 27 19.027 29.776 5.926 1.00 22.33 O ATOM 412 OD2 ASP A 27 17.776 28.258 4.959 1.00 12.42 O ATOM 0 H ASP A 27 20.839 28.849 6.013 1.00 40.23 H new ATOM 0 HA ASP A 27 20.508 26.740 7.940 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.084 26.873 6.986 1.00 62.14 H new ATOM 0 HB3 ASP A 27 18.704 28.200 7.949 1.00 62.14 H new ATOM 417 N SER A 28 21.055 25.875 5.000 1.00 54.23 N ATOM 418 CA SER A 28 21.230 24.715 4.139 1.00 53.34 C ATOM 419 C SER A 28 21.791 23.550 4.952 1.00 42.43 C ATOM 420 O SER A 28 21.398 22.389 4.774 1.00 42.13 O ATOM 421 CB SER A 28 22.176 25.054 2.988 1.00 4.45 C ATOM 422 OG SER A 28 21.702 26.164 2.243 1.00 12.42 O ATOM 0 H SER A 28 21.615 26.686 4.738 1.00 54.23 H new ATOM 0 HA SER A 28 20.263 24.429 3.725 1.00 53.34 H new ATOM 0 HB2 SER A 28 23.168 25.275 3.382 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.279 24.190 2.332 1.00 4.45 H new ATOM 0 HG SER A 28 21.629 26.945 2.830 1.00 12.42 H new ATOM 428 N PHE A 29 22.687 23.874 5.874 1.00 42.55 N ATOM 429 CA PHE A 29 23.333 22.869 6.697 1.00 4.12 C ATOM 430 C PHE A 29 22.385 22.396 7.792 1.00 35.43 C ATOM 431 O PHE A 29 22.487 21.269 8.273 1.00 12.15 O ATOM 432 CB PHE A 29 24.632 23.416 7.296 1.00 33.34 C ATOM 433 CG PHE A 29 25.579 23.977 6.265 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.635 23.436 4.989 1.00 24.54 C ATOM 435 CD2 PHE A 29 26.400 25.051 6.568 1.00 60.53 C ATOM 436 CE1 PHE A 29 26.492 23.957 4.037 1.00 25.20 C ATOM 437 CE2 PHE A 29 27.256 25.578 5.618 1.00 42.44 C ATOM 438 CZ PHE A 29 27.301 25.028 4.352 1.00 14.20 C ATOM 0 H PHE A 29 22.982 24.831 6.069 1.00 42.55 H new ATOM 0 HA PHE A 29 23.586 22.014 6.070 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.390 24.196 8.018 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.134 22.619 7.844 1.00 33.34 H new ATOM 0 HD1 PHE A 29 25.002 22.598 4.736 1.00 24.54 H new ATOM 0 HD2 PHE A 29 26.371 25.482 7.558 1.00 60.53 H new ATOM 0 HE1 PHE A 29 26.528 23.525 3.048 1.00 25.20 H new ATOM 0 HE2 PHE A 29 27.888 26.418 5.866 1.00 42.44 H new ATOM 0 HZ PHE A 29 27.970 25.437 3.609 1.00 14.20 H new ATOM 448 N ALA A 30 21.454 23.261 8.177 1.00 14.21 N ATOM 449 CA ALA A 30 20.403 22.882 9.108 1.00 35.22 C ATOM 450 C ALA A 30 19.466 21.875 8.451 1.00 13.34 C ATOM 451 O ALA A 30 19.086 20.870 9.062 1.00 31.42 O ATOM 452 CB ALA A 30 19.638 24.106 9.569 1.00 43.15 C ATOM 0 H ALA A 30 21.407 24.229 7.858 1.00 14.21 H new ATOM 0 HA ALA A 30 20.856 22.417 9.983 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.855 23.805 10.265 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.320 24.796 10.066 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.188 24.599 8.708 1.00 43.15 H new ATOM 458 N VAL A 31 19.102 22.148 7.198 1.00 22.11 N ATOM 459 CA VAL A 31 18.331 21.202 6.401 1.00 35.35 C ATOM 460 C VAL A 31 19.064 19.867 6.352 1.00 24.34 C ATOM 461 O VAL A 31 18.469 18.809 6.552 1.00 23.22 O ATOM 462 CB VAL A 31 18.100 21.705 4.957 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.338 20.673 4.140 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.354 23.030 4.958 1.00 4.31 C ATOM 0 H VAL A 31 19.330 23.017 6.716 1.00 22.11 H new ATOM 0 HA VAL A 31 17.356 21.091 6.876 1.00 35.35 H new ATOM 0 HB VAL A 31 19.076 21.858 4.497 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.187 21.049 3.128 1.00 65.31 H new ATOM 0 HG12 VAL A 31 17.909 19.746 4.101 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.370 20.484 4.604 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.203 23.364 3.931 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.387 22.903 5.444 1.00 4.31 H new ATOM 0 HG23 VAL A 31 17.937 23.775 5.500 1.00 4.31 H new ATOM 474 N LEU A 32 20.369 19.943 6.096 1.00 10.50 N ATOM 475 CA LEU A 32 21.235 18.772 6.144 1.00 25.41 C ATOM 476 C LEU A 32 21.086 18.024 7.468 1.00 40.04 C ATOM 477 O LEU A 32 20.895 16.810 7.480 1.00 73.03 O ATOM 478 CB LEU A 32 22.695 19.210 5.956 1.00 30.42 C ATOM 479 CG LEU A 32 23.748 18.219 6.451 1.00 42.24 C ATOM 480 CD1 LEU A 32 23.746 16.952 5.610 1.00 63.55 C ATOM 481 CD2 LEU A 32 25.121 18.873 6.451 1.00 45.32 C ATOM 0 H LEU A 32 20.849 20.809 5.852 1.00 10.50 H new ATOM 0 HA LEU A 32 20.943 18.095 5.341 1.00 25.41 H new ATOM 0 HB2 LEU A 32 22.867 19.396 4.896 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.841 20.158 6.474 1.00 30.42 H new ATOM 0 HG LEU A 32 23.500 17.933 7.473 1.00 42.24 H new ATOM 0 HD11 LEU A 32 24.505 16.265 5.985 1.00 63.55 H new ATOM 0 HD12 LEU A 32 22.766 16.478 5.669 1.00 63.55 H new ATOM 0 HD13 LEU A 32 23.965 17.204 4.572 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.864 18.159 6.805 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.374 19.188 5.439 1.00 45.32 H new ATOM 0 HD23 LEU A 32 25.110 19.742 7.109 1.00 45.32 H new ATOM 493 N ALA A 33 21.145 18.758 8.573 1.00 25.31 N ATOM 494 CA ALA A 33 21.062 18.162 9.903 1.00 12.22 C ATOM 495 C ALA A 33 19.761 17.389 10.088 1.00 4.10 C ATOM 496 O ALA A 33 19.768 16.255 10.565 1.00 40.14 O ATOM 497 CB ALA A 33 21.195 19.233 10.974 1.00 3.22 C ATOM 0 H ALA A 33 21.251 19.773 8.575 1.00 25.31 H new ATOM 0 HA ALA A 33 21.887 17.457 10.002 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.131 18.772 11.960 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.157 19.734 10.870 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.392 19.962 10.862 1.00 3.22 H new ATOM 503 N LEU A 34 18.648 18.003 9.707 1.00 53.14 N ATOM 504 CA LEU A 34 17.345 17.362 9.852 1.00 63.15 C ATOM 505 C LEU A 34 17.203 16.175 8.907 1.00 74.13 C ATOM 506 O LEU A 34 16.740 15.106 9.308 1.00 75.13 O ATOM 507 CB LEU A 34 16.209 18.366 9.620 1.00 2.44 C ATOM 508 CG LEU A 34 15.782 19.166 10.854 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.366 18.231 11.980 1.00 40.53 C ATOM 510 CD2 LEU A 34 16.900 20.084 11.316 1.00 2.14 C ATOM 0 H LEU A 34 18.620 18.937 9.298 1.00 53.14 H new ATOM 0 HA LEU A 34 17.276 16.992 10.875 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.517 19.065 8.843 1.00 2.44 H new ATOM 0 HB3 LEU A 34 15.342 17.827 9.239 1.00 2.44 H new ATOM 0 HG LEU A 34 14.925 19.781 10.579 1.00 20.15 H new ATOM 0 HD11 LEU A 34 15.066 18.818 12.848 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.529 17.615 11.651 1.00 40.53 H new ATOM 0 HD13 LEU A 34 16.205 17.589 12.248 1.00 40.53 H new ATOM 0 HD21 LEU A 34 16.573 20.642 12.194 1.00 2.14 H new ATOM 0 HD22 LEU A 34 17.778 19.489 11.570 1.00 2.14 H new ATOM 0 HD23 LEU A 34 17.153 20.781 10.517 1.00 2.14 H new ATOM 522 N LEU A 35 17.619 16.352 7.662 1.00 33.13 N ATOM 523 CA LEU A 35 17.501 15.295 6.667 1.00 40.52 C ATOM 524 C LEU A 35 18.420 14.124 6.988 1.00 5.24 C ATOM 525 O LEU A 35 18.089 12.981 6.697 1.00 72.35 O ATOM 526 CB LEU A 35 17.807 15.823 5.265 1.00 55.52 C ATOM 527 CG LEU A 35 16.783 16.804 4.694 1.00 3.21 C ATOM 528 CD1 LEU A 35 17.165 17.202 3.277 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.387 16.197 4.721 1.00 64.40 C ATOM 0 H LEU A 35 18.040 17.214 7.317 1.00 33.13 H new ATOM 0 HA LEU A 35 16.470 14.943 6.694 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.781 16.312 5.284 1.00 55.52 H new ATOM 0 HB3 LEU A 35 17.889 14.974 4.586 1.00 55.52 H new ATOM 0 HG LEU A 35 16.778 17.699 5.316 1.00 3.21 H new ATOM 0 HD11 LEU A 35 16.427 17.901 2.884 1.00 51.22 H new ATOM 0 HD12 LEU A 35 18.146 17.677 3.284 1.00 51.22 H new ATOM 0 HD13 LEU A 35 17.197 16.314 2.646 1.00 51.22 H new ATOM 0 HD21 LEU A 35 14.672 16.910 4.311 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.375 15.286 4.123 1.00 64.40 H new ATOM 0 HD23 LEU A 35 15.113 15.960 5.749 1.00 64.40 H new ATOM 541 N CYS A 36 19.564 14.410 7.597 1.00 33.14 N ATOM 542 CA CYS A 36 20.537 13.371 7.938 1.00 11.42 C ATOM 543 C CYS A 36 19.996 12.422 9.010 1.00 12.21 C ATOM 544 O CYS A 36 20.530 11.328 9.213 1.00 70.34 O ATOM 545 CB CYS A 36 21.852 13.999 8.410 1.00 4.50 C ATOM 546 SG CYS A 36 23.160 12.802 8.767 1.00 54.32 S ATOM 0 H CYS A 36 19.844 15.353 7.867 1.00 33.14 H new ATOM 0 HA CYS A 36 20.723 12.789 7.035 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.206 14.690 7.645 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.659 14.588 9.307 1.00 4.50 H new ATOM 0 HG CYS A 36 22.628 11.661 9.090 1.00 54.32 H new ATOM 552 N ARG A 37 18.942 12.834 9.702 1.00 51.20 N ATOM 553 CA ARG A 37 18.324 11.975 10.701 1.00 34.43 C ATOM 554 C ARG A 37 17.159 11.203 10.093 1.00 14.35 C ATOM 555 O ARG A 37 16.506 10.408 10.765 1.00 42.53 O ATOM 556 CB ARG A 37 17.854 12.779 11.912 1.00 32.30 C ATOM 557 CG ARG A 37 18.979 13.500 12.639 1.00 43.23 C ATOM 558 CD ARG A 37 18.617 13.775 14.089 1.00 5.05 C ATOM 559 NE ARG A 37 18.498 12.534 14.860 1.00 43.43 N ATOM 560 CZ ARG A 37 18.088 12.467 16.125 1.00 2.44 C ATOM 561 NH1 ARG A 37 17.723 13.563 16.778 1.00 61.42 N ATOM 562 NH2 ARG A 37 18.040 11.293 16.740 1.00 55.24 N ATOM 0 H ARG A 37 18.502 13.747 9.592 1.00 51.20 H new ATOM 0 HA ARG A 37 19.078 11.265 11.042 1.00 34.43 H new ATOM 0 HB2 ARG A 37 17.115 13.511 11.587 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.353 12.109 12.610 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.886 12.897 12.597 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.197 14.440 12.133 1.00 43.23 H new ATOM 0 HD2 ARG A 37 19.377 14.413 14.540 1.00 5.05 H new ATOM 0 HD3 ARG A 37 17.675 14.323 14.132 1.00 5.05 H new ATOM 0 HE ARG A 37 18.747 11.661 14.395 1.00 43.43 H new ATOM 0 HH11 ARG A 37 17.755 14.469 16.311 1.00 61.42 H new ATOM 0 HH12 ARG A 37 17.411 13.499 17.747 1.00 61.42 H new ATOM 0 HH21 ARG A 37 18.317 10.446 16.244 1.00 55.24 H new ATOM 0 HH22 ARG A 37 17.727 11.237 17.709 1.00 55.24 H new ATOM 576 N ARG A 38 16.905 11.447 8.816 1.00 2.53 N ATOM 577 CA ARG A 38 15.860 10.737 8.098 1.00 2.05 C ATOM 578 C ARG A 38 16.469 9.875 7.000 1.00 61.41 C ATOM 579 O ARG A 38 16.086 8.717 6.817 1.00 11.31 O ATOM 580 CB ARG A 38 14.851 11.723 7.495 1.00 23.14 C ATOM 581 CG ARG A 38 13.754 11.060 6.664 1.00 24.55 C ATOM 582 CD ARG A 38 12.777 10.256 7.519 1.00 5.44 C ATOM 583 NE ARG A 38 13.426 9.165 8.250 1.00 52.14 N ATOM 584 CZ ARG A 38 13.076 8.767 9.477 1.00 24.15 C ATOM 585 NH1 ARG A 38 12.032 9.316 10.091 1.00 53.54 N ATOM 586 NH2 ARG A 38 13.761 7.800 10.079 1.00 25.01 N ATOM 0 H ARG A 38 17.410 12.133 8.256 1.00 2.53 H new ATOM 0 HA ARG A 38 15.335 10.093 8.804 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.388 12.292 8.301 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.386 12.437 6.868 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.206 11.826 6.115 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.211 10.402 5.924 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.289 10.923 8.229 1.00 5.44 H new ATOM 0 HD3 ARG A 38 11.996 9.845 6.880 1.00 5.44 H new ATOM 0 HE ARG A 38 14.196 8.677 7.792 1.00 52.14 H new ATOM 0 HH11 ARG A 38 11.492 10.046 9.626 1.00 53.54 H new ATOM 0 HH12 ARG A 38 11.771 9.007 11.027 1.00 53.54 H new ATOM 0 HH21 ARG A 38 14.552 7.364 9.605 1.00 25.01 H new ATOM 0 HH22 ARG A 38 13.496 7.494 11.015 1.00 25.01 H new ATOM 600 N LEU A 39 17.417 10.451 6.279 1.00 65.23 N ATOM 601 CA LEU A 39 18.087 9.775 5.184 1.00 20.15 C ATOM 602 C LEU A 39 19.597 9.939 5.334 1.00 65.21 C ATOM 603 O LEU A 39 20.056 10.771 6.114 1.00 43.15 O ATOM 604 CB LEU A 39 17.609 10.353 3.849 1.00 10.31 C ATOM 605 CG LEU A 39 16.122 10.141 3.539 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.710 10.960 2.326 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.833 8.667 3.304 1.00 20.33 C ATOM 0 H LEU A 39 17.744 11.404 6.439 1.00 65.23 H new ATOM 0 HA LEU A 39 17.846 8.712 5.205 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.816 11.423 3.840 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.198 9.907 3.047 1.00 10.31 H new ATOM 0 HG LEU A 39 15.540 10.476 4.398 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.652 10.798 2.120 1.00 2.22 H new ATOM 0 HD12 LEU A 39 15.883 12.018 2.525 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.299 10.652 1.462 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.773 8.534 3.085 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.425 8.310 2.461 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.093 8.098 4.197 1.00 20.33 H new ATOM 619 N SER A 40 20.366 9.155 4.598 1.00 0.33 N ATOM 620 CA SER A 40 21.813 9.168 4.738 1.00 2.24 C ATOM 621 C SER A 40 22.463 10.151 3.755 1.00 60.02 C ATOM 622 O SER A 40 21.781 10.806 2.958 1.00 20.13 O ATOM 623 CB SER A 40 22.378 7.755 4.560 1.00 31.30 C ATOM 624 OG SER A 40 23.745 7.688 4.945 1.00 44.04 O ATOM 0 H SER A 40 20.014 8.502 3.898 1.00 0.33 H new ATOM 0 HA SER A 40 22.053 9.511 5.745 1.00 2.24 H new ATOM 0 HB2 SER A 40 21.796 7.052 5.156 1.00 31.30 H new ATOM 0 HB3 SER A 40 22.277 7.450 3.518 1.00 31.30 H new ATOM 0 HG SER A 40 24.075 6.774 4.821 1.00 44.04 H new ATOM 630 N HIS A 41 23.789 10.249 3.840 1.00 13.31 N ATOM 631 CA HIS A 41 24.565 11.252 3.105 1.00 75.25 C ATOM 632 C HIS A 41 24.351 11.213 1.591 1.00 41.11 C ATOM 633 O HIS A 41 24.400 12.254 0.945 1.00 41.13 O ATOM 634 CB HIS A 41 26.064 11.134 3.424 1.00 10.05 C ATOM 635 CG HIS A 41 26.597 9.729 3.443 1.00 74.22 C ATOM 636 ND1 HIS A 41 27.174 9.169 4.559 1.00 64.11 N ATOM 637 CD2 HIS A 41 26.635 8.773 2.485 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.542 7.932 4.289 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.226 7.664 3.037 1.00 43.23 N ATOM 0 H HIS A 41 24.359 9.634 4.422 1.00 13.31 H new ATOM 0 HA HIS A 41 24.190 12.216 3.449 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.624 11.710 2.687 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.251 11.592 4.395 1.00 10.05 H new ATOM 0 HD2 HIS A 41 26.268 8.866 1.473 1.00 31.41 H new ATOM 0 HE1 HIS A 41 28.022 7.252 4.978 1.00 64.54 H new ATOM 0 HE2 HIS A 41 27.393 6.779 2.558 1.00 43.23 H new ATOM 648 N ASP A 42 24.124 10.044 1.014 1.00 23.54 N ATOM 649 CA ASP A 42 23.957 9.962 -0.436 1.00 0.05 C ATOM 650 C ASP A 42 22.572 10.461 -0.835 1.00 12.44 C ATOM 651 O ASP A 42 22.402 11.092 -1.879 1.00 21.11 O ATOM 652 CB ASP A 42 24.194 8.539 -0.943 1.00 61.05 C ATOM 653 CG ASP A 42 24.230 8.458 -2.458 1.00 60.32 C ATOM 654 OD1 ASP A 42 24.987 9.234 -3.087 1.00 63.43 O ATOM 655 OD2 ASP A 42 23.528 7.601 -3.029 1.00 11.00 O ATOM 0 H ASP A 42 24.052 9.155 1.510 1.00 23.54 H new ATOM 0 HA ASP A 42 24.705 10.603 -0.903 1.00 0.05 H new ATOM 0 HB2 ASP A 42 25.136 8.166 -0.540 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.406 7.887 -0.567 1.00 61.05 H new ATOM 660 N GLU A 43 21.588 10.196 0.016 1.00 14.52 N ATOM 661 CA GLU A 43 20.234 10.678 -0.212 1.00 51.01 C ATOM 662 C GLU A 43 20.182 12.199 -0.112 1.00 73.32 C ATOM 663 O GLU A 43 19.583 12.864 -0.961 1.00 20.03 O ATOM 664 CB GLU A 43 19.244 10.065 0.784 1.00 51.22 C ATOM 665 CG GLU A 43 19.158 8.546 0.736 1.00 54.12 C ATOM 666 CD GLU A 43 20.145 7.867 1.665 1.00 74.12 C ATOM 667 OE1 GLU A 43 21.358 7.879 1.379 1.00 43.22 O ATOM 668 OE2 GLU A 43 19.704 7.316 2.696 1.00 44.24 O ATOM 0 H GLU A 43 21.704 9.650 0.870 1.00 14.52 H new ATOM 0 HA GLU A 43 19.946 10.371 -1.217 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.527 10.368 1.792 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.254 10.478 0.593 1.00 51.22 H new ATOM 0 HG2 GLU A 43 18.147 8.236 1.000 1.00 54.12 H new ATOM 0 HG3 GLU A 43 19.338 8.210 -0.285 1.00 54.12 H new ATOM 675 N VAL A 44 20.816 12.752 0.919 1.00 12.04 N ATOM 676 CA VAL A 44 20.862 14.202 1.084 1.00 64.12 C ATOM 677 C VAL A 44 21.710 14.835 -0.020 1.00 44.32 C ATOM 678 O VAL A 44 21.438 15.948 -0.465 1.00 4.42 O ATOM 679 CB VAL A 44 21.374 14.632 2.479 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.488 14.058 3.573 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.819 14.221 2.698 1.00 41.02 C ATOM 0 H VAL A 44 21.300 12.225 1.646 1.00 12.04 H new ATOM 0 HA VAL A 44 19.837 14.564 1.004 1.00 64.12 H new ATOM 0 HB VAL A 44 21.329 15.720 2.524 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.864 14.371 4.547 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.468 14.421 3.443 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.496 12.970 3.514 1.00 55.54 H new ATOM 0 HG21 VAL A 44 23.142 14.541 3.689 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.905 13.137 2.621 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.449 14.690 1.942 1.00 41.02 H new ATOM 691 N LYS A 45 22.730 14.110 -0.461 1.00 40.31 N ATOM 692 CA LYS A 45 23.534 14.518 -1.606 1.00 12.13 C ATOM 693 C LYS A 45 22.660 14.613 -2.858 1.00 13.43 C ATOM 694 O LYS A 45 22.775 15.559 -3.641 1.00 15.20 O ATOM 695 CB LYS A 45 24.700 13.521 -1.782 1.00 61.33 C ATOM 696 CG LYS A 45 25.407 13.543 -3.132 1.00 2.02 C ATOM 697 CD LYS A 45 24.720 12.630 -4.140 1.00 33.13 C ATOM 698 CE LYS A 45 25.683 12.144 -5.210 1.00 75.13 C ATOM 699 NZ LYS A 45 26.737 11.262 -4.641 1.00 24.32 N ATOM 0 H LYS A 45 23.022 13.229 -0.039 1.00 40.31 H new ATOM 0 HA LYS A 45 23.956 15.509 -1.438 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.439 13.718 -1.005 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.318 12.514 -1.612 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.425 14.563 -3.517 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.444 13.231 -3.006 1.00 2.02 H new ATOM 0 HD2 LYS A 45 24.291 11.773 -3.621 1.00 33.13 H new ATOM 0 HD3 LYS A 45 23.894 13.164 -4.610 1.00 33.13 H new ATOM 0 HE2 LYS A 45 25.131 11.602 -5.978 1.00 75.13 H new ATOM 0 HE3 LYS A 45 26.149 13.001 -5.697 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 27.169 10.701 -5.403 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 27.467 11.844 -4.183 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 26.313 10.623 -3.938 1.00 24.32 H new ATOM 713 N ALA A 46 21.770 13.641 -3.025 1.00 24.01 N ATOM 714 CA ALA A 46 20.869 13.612 -4.170 1.00 74.23 C ATOM 715 C ALA A 46 19.841 14.742 -4.107 1.00 34.34 C ATOM 716 O ALA A 46 19.633 15.454 -5.091 1.00 23.14 O ATOM 717 CB ALA A 46 20.172 12.263 -4.256 1.00 34.25 C ATOM 0 H ALA A 46 21.654 12.860 -2.379 1.00 24.01 H new ATOM 0 HA ALA A 46 21.467 13.761 -5.069 1.00 74.23 H new ATOM 0 HB1 ALA A 46 19.502 12.254 -5.115 1.00 34.25 H new ATOM 0 HB2 ALA A 46 20.917 11.475 -4.368 1.00 34.25 H new ATOM 0 HB3 ALA A 46 19.597 12.092 -3.346 1.00 34.25 H new ATOM 723 N VAL A 47 19.208 14.913 -2.949 1.00 63.11 N ATOM 724 CA VAL A 47 18.172 15.932 -2.787 1.00 5.15 C ATOM 725 C VAL A 47 18.760 17.340 -2.907 1.00 71.40 C ATOM 726 O VAL A 47 18.110 18.243 -3.433 1.00 3.44 O ATOM 727 CB VAL A 47 17.404 15.770 -1.448 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.296 16.036 -0.247 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.178 16.669 -1.414 1.00 1.32 C ATOM 0 H VAL A 47 19.393 14.362 -2.111 1.00 63.11 H new ATOM 0 HA VAL A 47 17.455 15.790 -3.595 1.00 5.15 H new ATOM 0 HB VAL A 47 17.075 14.732 -1.388 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.719 15.912 0.669 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.129 15.333 -0.250 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.681 17.054 -0.298 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.657 16.538 -0.466 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.487 17.709 -1.517 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.511 16.405 -2.235 1.00 1.32 H new ATOM 739 N ALA A 48 19.995 17.518 -2.448 1.00 53.54 N ATOM 740 CA ALA A 48 20.674 18.801 -2.584 1.00 3.21 C ATOM 741 C ALA A 48 20.948 19.097 -4.053 1.00 22.54 C ATOM 742 O ALA A 48 20.694 20.202 -4.532 1.00 13.30 O ATOM 743 CB ALA A 48 21.970 18.812 -1.787 1.00 15.11 C ATOM 0 H ALA A 48 20.543 16.795 -1.982 1.00 53.54 H new ATOM 0 HA ALA A 48 20.024 19.580 -2.185 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.460 19.779 -1.903 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.751 18.640 -0.733 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.629 18.025 -2.153 1.00 15.11 H new ATOM 749 N ASN A 49 21.448 18.088 -4.763 1.00 73.23 N ATOM 750 CA ASN A 49 21.720 18.204 -6.194 1.00 11.34 C ATOM 751 C ASN A 49 20.444 18.549 -6.958 1.00 21.14 C ATOM 752 O ASN A 49 20.439 19.434 -7.814 1.00 34.35 O ATOM 753 CB ASN A 49 22.315 16.893 -6.723 1.00 24.22 C ATOM 754 CG ASN A 49 22.592 16.912 -8.220 1.00 72.24 C ATOM 755 OD1 ASN A 49 22.475 15.886 -8.890 1.00 13.43 O ATOM 756 ND2 ASN A 49 22.977 18.064 -8.752 1.00 34.41 N ATOM 0 H ASN A 49 21.674 17.175 -4.368 1.00 73.23 H new ATOM 0 HA ASN A 49 22.440 19.008 -6.346 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.244 16.685 -6.192 1.00 24.22 H new ATOM 0 HB3 ASN A 49 21.630 16.076 -6.499 1.00 24.22 H new ATOM 0 HD21 ASN A 49 23.187 18.121 -9.748 1.00 34.41 H new ATOM 0 HD22 ASN A 49 23.063 18.894 -8.165 1.00 34.41 H new ATOM 763 N GLU A 50 19.361 17.857 -6.627 1.00 63.12 N ATOM 764 CA GLU A 50 18.075 18.082 -7.270 1.00 22.12 C ATOM 765 C GLU A 50 17.574 19.491 -6.995 1.00 22.40 C ATOM 766 O GLU A 50 17.199 20.225 -7.908 1.00 61.11 O ATOM 767 CB GLU A 50 17.046 17.073 -6.761 1.00 3.54 C ATOM 768 CG GLU A 50 15.644 17.327 -7.287 1.00 54.34 C ATOM 769 CD GLU A 50 15.532 17.079 -8.777 1.00 12.15 C ATOM 770 OE1 GLU A 50 15.717 15.922 -9.208 1.00 72.03 O ATOM 771 OE2 GLU A 50 15.261 18.036 -9.526 1.00 13.25 O ATOM 0 H GLU A 50 19.350 17.130 -5.911 1.00 63.12 H new ATOM 0 HA GLU A 50 18.209 17.956 -8.344 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.358 16.069 -7.049 1.00 3.54 H new ATOM 0 HB3 GLU A 50 17.028 17.101 -5.671 1.00 3.54 H new ATOM 0 HG2 GLU A 50 14.939 16.683 -6.760 1.00 54.34 H new ATOM 0 HG3 GLU A 50 15.359 18.356 -7.070 1.00 54.34 H new ATOM 778 N LEU A 51 17.585 19.861 -5.730 1.00 72.23 N ATOM 779 CA LEU A 51 17.038 21.131 -5.303 1.00 55.41 C ATOM 780 C LEU A 51 17.843 22.300 -5.884 1.00 24.41 C ATOM 781 O LEU A 51 17.285 23.352 -6.210 1.00 62.31 O ATOM 782 CB LEU A 51 17.008 21.177 -3.776 1.00 14.10 C ATOM 783 CG LEU A 51 16.295 22.386 -3.162 1.00 34.30 C ATOM 784 CD1 LEU A 51 14.905 22.557 -3.753 1.00 63.41 C ATOM 785 CD2 LEU A 51 16.208 22.233 -1.652 1.00 30.24 C ATOM 0 H LEU A 51 17.971 19.294 -4.975 1.00 72.23 H new ATOM 0 HA LEU A 51 16.019 21.229 -5.678 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.524 20.270 -3.413 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.035 21.159 -3.410 1.00 14.10 H new ATOM 0 HG LEU A 51 16.876 23.278 -3.396 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.421 23.422 -3.300 1.00 63.41 H new ATOM 0 HD12 LEU A 51 14.983 22.708 -4.830 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.313 21.664 -3.554 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.699 23.098 -1.227 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.650 21.329 -1.409 1.00 30.24 H new ATOM 0 HD23 LEU A 51 17.213 22.162 -1.235 1.00 30.24 H new ATOM 797 N MET A 52 19.154 22.104 -6.025 1.00 34.31 N ATOM 798 CA MET A 52 20.008 23.092 -6.684 1.00 22.22 C ATOM 799 C MET A 52 19.638 23.223 -8.154 1.00 41.23 C ATOM 800 O MET A 52 19.662 24.317 -8.717 1.00 64.42 O ATOM 801 CB MET A 52 21.486 22.706 -6.572 1.00 43.15 C ATOM 802 CG MET A 52 22.114 23.021 -5.227 1.00 23.10 C ATOM 803 SD MET A 52 23.874 22.639 -5.190 1.00 2.50 S ATOM 804 CE MET A 52 24.336 23.359 -3.619 1.00 45.22 C ATOM 0 H MET A 52 19.646 21.274 -5.693 1.00 34.31 H new ATOM 0 HA MET A 52 19.851 24.047 -6.182 1.00 22.22 H new ATOM 0 HB2 MET A 52 21.586 21.638 -6.765 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.045 23.225 -7.351 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.968 24.077 -4.999 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.605 22.453 -4.448 1.00 23.10 H new ATOM 0 HE1 MET A 52 25.192 22.822 -3.211 1.00 45.22 H new ATOM 0 HE2 MET A 52 24.599 24.407 -3.762 1.00 45.22 H new ATOM 0 HE3 MET A 52 23.498 23.287 -2.925 1.00 45.22 H new ATOM 814 N ARG A 53 19.276 22.100 -8.758 1.00 0.12 N ATOM 815 CA ARG A 53 18.931 22.046 -10.175 1.00 31.34 C ATOM 816 C ARG A 53 17.671 22.866 -10.457 1.00 53.14 C ATOM 817 O ARG A 53 17.494 23.403 -11.553 1.00 11.32 O ATOM 818 CB ARG A 53 18.711 20.588 -10.584 1.00 43.45 C ATOM 819 CG ARG A 53 18.774 20.334 -12.079 1.00 71.50 C ATOM 820 CD ARG A 53 18.429 18.889 -12.391 1.00 51.30 C ATOM 821 NE ARG A 53 18.848 18.490 -13.731 1.00 54.25 N ATOM 822 CZ ARG A 53 18.138 17.691 -14.523 1.00 53.43 C ATOM 823 NH1 ARG A 53 16.930 17.283 -14.151 1.00 52.52 N ATOM 824 NH2 ARG A 53 18.629 17.313 -15.696 1.00 40.44 N ATOM 0 H ARG A 53 19.213 21.200 -8.282 1.00 0.12 H new ATOM 0 HA ARG A 53 19.749 22.471 -10.756 1.00 31.34 H new ATOM 0 HB2 ARG A 53 19.461 19.969 -10.092 1.00 43.45 H new ATOM 0 HB3 ARG A 53 17.738 20.264 -10.214 1.00 43.45 H new ATOM 0 HG2 ARG A 53 18.081 20.998 -12.596 1.00 71.50 H new ATOM 0 HG3 ARG A 53 19.773 20.563 -12.450 1.00 71.50 H new ATOM 0 HD2 ARG A 53 18.905 18.239 -11.657 1.00 51.30 H new ATOM 0 HD3 ARG A 53 17.353 18.747 -12.293 1.00 51.30 H new ATOM 0 HE ARG A 53 19.738 18.845 -14.081 1.00 54.25 H new ATOM 0 HH11 ARG A 53 16.544 17.582 -13.256 1.00 52.52 H new ATOM 0 HH12 ARG A 53 16.388 16.670 -14.761 1.00 52.52 H new ATOM 0 HH21 ARG A 53 19.551 17.635 -15.991 1.00 40.44 H new ATOM 0 HH22 ARG A 53 18.085 16.700 -16.303 1.00 40.44 H new ATOM 838 N LEU A 54 16.803 22.963 -9.455 1.00 71.25 N ATOM 839 CA LEU A 54 15.557 23.713 -9.581 1.00 62.34 C ATOM 840 C LEU A 54 15.785 25.203 -9.342 1.00 22.45 C ATOM 841 O LEU A 54 14.927 26.029 -9.653 1.00 5.15 O ATOM 842 CB LEU A 54 14.508 23.183 -8.600 1.00 64.53 C ATOM 843 CG LEU A 54 14.122 21.715 -8.787 1.00 41.12 C ATOM 844 CD1 LEU A 54 13.057 21.315 -7.781 1.00 41.11 C ATOM 845 CD2 LEU A 54 13.634 21.462 -10.207 1.00 13.34 C ATOM 0 H LEU A 54 16.940 22.529 -8.542 1.00 71.25 H new ATOM 0 HA LEU A 54 15.191 23.579 -10.599 1.00 62.34 H new ATOM 0 HB2 LEU A 54 14.883 23.317 -7.585 1.00 64.53 H new ATOM 0 HB3 LEU A 54 13.609 23.793 -8.691 1.00 64.53 H new ATOM 0 HG LEU A 54 15.008 21.104 -8.617 1.00 41.12 H new ATOM 0 HD11 LEU A 54 12.793 20.268 -7.927 1.00 41.11 H new ATOM 0 HD12 LEU A 54 13.440 21.455 -6.770 1.00 41.11 H new ATOM 0 HD13 LEU A 54 12.172 21.935 -7.922 1.00 41.11 H new ATOM 0 HD21 LEU A 54 13.365 20.412 -10.318 1.00 13.34 H new ATOM 0 HD22 LEU A 54 12.761 22.083 -10.408 1.00 13.34 H new ATOM 0 HD23 LEU A 54 14.426 21.710 -10.914 1.00 13.34 H new ATOM 857 N GLY A 55 16.940 25.540 -8.779 1.00 41.21 N ATOM 858 CA GLY A 55 17.290 26.934 -8.577 1.00 63.30 C ATOM 859 C GLY A 55 16.765 27.507 -7.273 1.00 62.12 C ATOM 860 O GLY A 55 16.660 28.724 -7.125 1.00 34.14 O ATOM 0 H GLY A 55 17.641 24.872 -8.458 1.00 41.21 H new ATOM 0 HA2 GLY A 55 18.375 27.035 -8.598 1.00 63.30 H new ATOM 0 HA3 GLY A 55 16.899 27.523 -9.407 1.00 63.30 H new ATOM 864 N ASP A 56 16.438 26.642 -6.321 1.00 0.02 N ATOM 865 CA ASP A 56 15.957 27.099 -5.016 1.00 15.42 C ATOM 866 C ASP A 56 16.968 26.784 -3.926 1.00 64.31 C ATOM 867 O ASP A 56 16.655 26.800 -2.736 1.00 71.51 O ATOM 868 CB ASP A 56 14.601 26.477 -4.673 1.00 73.02 C ATOM 869 CG ASP A 56 13.467 27.110 -5.451 1.00 5.42 C ATOM 870 OD1 ASP A 56 13.195 28.311 -5.244 1.00 72.25 O ATOM 871 OD2 ASP A 56 12.842 26.415 -6.277 1.00 0.31 O ATOM 0 H ASP A 56 16.495 25.629 -6.423 1.00 0.02 H new ATOM 0 HA ASP A 56 15.831 28.180 -5.074 1.00 15.42 H new ATOM 0 HB2 ASP A 56 14.630 25.408 -4.883 1.00 73.02 H new ATOM 0 HB3 ASP A 56 14.412 26.587 -3.605 1.00 73.02 H new ATOM 876 N PHE A 57 18.192 26.524 -4.346 1.00 41.20 N ATOM 877 CA PHE A 57 19.271 26.218 -3.428 1.00 0.01 C ATOM 878 C PHE A 57 20.482 27.062 -3.807 1.00 54.22 C ATOM 879 O PHE A 57 20.827 27.156 -4.988 1.00 53.24 O ATOM 880 CB PHE A 57 19.611 24.727 -3.519 1.00 1.34 C ATOM 881 CG PHE A 57 20.164 24.122 -2.258 1.00 74.43 C ATOM 882 CD1 PHE A 57 21.118 24.779 -1.499 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.729 22.876 -1.843 1.00 53.03 C ATOM 884 CE1 PHE A 57 21.623 24.204 -0.350 1.00 53.11 C ATOM 885 CE2 PHE A 57 20.228 22.296 -0.695 1.00 74.50 C ATOM 886 CZ PHE A 57 21.177 22.961 0.053 1.00 15.54 C ATOM 0 H PHE A 57 18.465 26.519 -5.329 1.00 41.20 H new ATOM 0 HA PHE A 57 18.975 26.445 -2.404 1.00 0.01 H new ATOM 0 HB2 PHE A 57 18.711 24.181 -3.801 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.335 24.583 -4.321 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.471 25.752 -1.809 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.988 22.350 -2.426 1.00 53.03 H new ATOM 0 HE1 PHE A 57 22.367 24.726 0.233 1.00 53.11 H new ATOM 0 HE2 PHE A 57 19.876 21.324 -0.383 1.00 74.50 H new ATOM 0 HZ PHE A 57 21.570 22.510 0.952 1.00 15.54 H new ATOM 896 N ASP A 58 21.106 27.698 -2.824 1.00 55.52 N ATOM 897 CA ASP A 58 22.259 28.547 -3.094 1.00 42.31 C ATOM 898 C ASP A 58 23.462 27.690 -3.471 1.00 31.30 C ATOM 899 O ASP A 58 23.639 26.587 -2.949 1.00 23.35 O ATOM 900 CB ASP A 58 22.593 29.424 -1.884 1.00 72.43 C ATOM 901 CG ASP A 58 23.498 30.586 -2.250 1.00 71.31 C ATOM 902 OD1 ASP A 58 24.726 30.408 -2.287 1.00 11.45 O ATOM 903 OD2 ASP A 58 22.971 31.691 -2.516 1.00 3.53 O ATOM 0 H ASP A 58 20.837 27.643 -1.842 1.00 55.52 H new ATOM 0 HA ASP A 58 22.011 29.203 -3.929 1.00 42.31 H new ATOM 0 HB2 ASP A 58 21.670 29.808 -1.450 1.00 72.43 H new ATOM 0 HB3 ASP A 58 23.076 28.816 -1.119 1.00 72.43 H new ATOM 908 N GLN A 59 24.275 28.192 -4.386 1.00 65.13 N ATOM 909 CA GLN A 59 25.409 27.440 -4.896 1.00 61.52 C ATOM 910 C GLN A 59 26.590 27.532 -3.936 1.00 42.02 C ATOM 911 O GLN A 59 27.478 28.373 -4.089 1.00 22.20 O ATOM 912 CB GLN A 59 25.791 27.950 -6.285 1.00 52.04 C ATOM 913 CG GLN A 59 24.623 27.931 -7.257 1.00 33.10 C ATOM 914 CD GLN A 59 24.926 28.609 -8.577 1.00 42.12 C ATOM 915 OE1 GLN A 59 26.058 28.591 -9.063 1.00 43.20 O ATOM 916 NE2 GLN A 59 23.912 29.227 -9.159 1.00 63.24 N ATOM 0 H GLN A 59 24.170 29.122 -4.792 1.00 65.13 H new ATOM 0 HA GLN A 59 25.128 26.390 -4.979 1.00 61.52 H new ATOM 0 HB2 GLN A 59 26.173 28.967 -6.202 1.00 52.04 H new ATOM 0 HB3 GLN A 59 26.600 27.337 -6.683 1.00 52.04 H new ATOM 0 HG2 GLN A 59 24.335 26.897 -7.446 1.00 33.10 H new ATOM 0 HG3 GLN A 59 23.767 28.421 -6.794 1.00 33.10 H new ATOM 0 HE21 GLN A 59 22.990 29.217 -8.722 1.00 63.24 H new ATOM 0 HE22 GLN A 59 24.052 29.713 -10.045 1.00 63.24 H new ATOM 925 N ILE A 60 26.572 26.671 -2.932 1.00 73.33 N ATOM 926 CA ILE A 60 27.604 26.642 -1.907 1.00 52.00 C ATOM 927 C ILE A 60 28.256 25.269 -1.843 1.00 62.32 C ATOM 928 O ILE A 60 27.881 24.360 -2.589 1.00 61.30 O ATOM 929 CB ILE A 60 27.019 26.981 -0.521 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.802 26.094 -0.236 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.653 28.457 -0.445 1.00 12.40 C ATOM 932 CD1 ILE A 60 25.163 26.337 1.113 1.00 34.21 C ATOM 0 H ILE A 60 25.841 25.971 -2.804 1.00 73.33 H new ATOM 0 HA ILE A 60 28.350 27.391 -2.174 1.00 52.00 H new ATOM 0 HB ILE A 60 27.773 26.784 0.242 1.00 22.03 H new ATOM 0 HG12 ILE A 60 25.056 26.258 -1.014 1.00 74.12 H new ATOM 0 HG13 ILE A 60 26.105 25.049 -0.300 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.242 28.680 0.540 1.00 12.40 H new ATOM 0 HG22 ILE A 60 27.544 29.062 -0.611 1.00 12.40 H new ATOM 0 HG23 ILE A 60 25.911 28.688 -1.209 1.00 12.40 H new ATOM 0 HD11 ILE A 60 24.310 25.670 1.237 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.891 26.144 1.901 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.827 27.372 1.175 1.00 34.21 H new ATOM 944 N ASP A 61 29.224 25.118 -0.950 1.00 74.15 N ATOM 945 CA ASP A 61 29.899 23.840 -0.776 1.00 11.11 C ATOM 946 C ASP A 61 29.054 22.903 0.068 1.00 32.54 C ATOM 947 O ASP A 61 29.180 22.852 1.291 1.00 44.33 O ATOM 948 CB ASP A 61 31.277 24.023 -0.134 1.00 43.43 C ATOM 949 CG ASP A 61 32.244 24.745 -1.044 1.00 44.22 C ATOM 950 OD1 ASP A 61 32.820 24.093 -1.942 1.00 63.43 O ATOM 951 OD2 ASP A 61 32.426 25.968 -0.870 1.00 51.15 O ATOM 0 H ASP A 61 29.558 25.862 -0.337 1.00 74.15 H new ATOM 0 HA ASP A 61 30.038 23.401 -1.764 1.00 11.11 H new ATOM 0 HB2 ASP A 61 31.171 24.582 0.796 1.00 43.43 H new ATOM 0 HB3 ASP A 61 31.686 23.047 0.126 1.00 43.43 H new ATOM 956 N ILE A 62 28.179 22.175 -0.598 1.00 1.14 N ATOM 957 CA ILE A 62 27.313 21.226 0.073 1.00 44.54 C ATOM 958 C ILE A 62 28.027 19.895 0.252 1.00 35.03 C ATOM 959 O ILE A 62 27.969 19.294 1.324 1.00 21.22 O ATOM 960 CB ILE A 62 25.986 21.036 -0.703 1.00 53.15 C ATOM 961 CG1 ILE A 62 25.080 22.251 -0.483 1.00 34.35 C ATOM 962 CG2 ILE A 62 25.273 19.753 -0.295 1.00 21.32 C ATOM 963 CD1 ILE A 62 24.739 22.502 0.974 1.00 32.22 C ATOM 0 H ILE A 62 28.049 22.223 -1.609 1.00 1.14 H new ATOM 0 HA ILE A 62 27.068 21.625 1.057 1.00 44.54 H new ATOM 0 HB ILE A 62 26.222 20.950 -1.764 1.00 53.15 H new ATOM 0 HG12 ILE A 62 25.569 23.136 -0.890 1.00 34.35 H new ATOM 0 HG13 ILE A 62 24.156 22.111 -1.044 1.00 34.35 H new ATOM 0 HG21 ILE A 62 24.347 19.656 -0.861 1.00 21.32 H new ATOM 0 HG22 ILE A 62 25.916 18.898 -0.502 1.00 21.32 H new ATOM 0 HG23 ILE A 62 25.045 19.786 0.770 1.00 21.32 H new ATOM 0 HD11 ILE A 62 24.095 23.378 1.051 1.00 32.22 H new ATOM 0 HD12 ILE A 62 24.221 21.634 1.381 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.656 22.675 1.538 1.00 32.22 H new ATOM 975 N GLY A 63 28.747 19.474 -0.785 1.00 31.43 N ATOM 976 CA GLY A 63 29.435 18.196 -0.752 1.00 52.11 C ATOM 977 C GLY A 63 30.423 18.096 0.393 1.00 31.22 C ATOM 978 O GLY A 63 30.685 17.008 0.903 1.00 14.54 O ATOM 0 H GLY A 63 28.866 19.999 -1.651 1.00 31.43 H new ATOM 0 HA2 GLY A 63 28.701 17.395 -0.665 1.00 52.11 H new ATOM 0 HA3 GLY A 63 29.961 18.046 -1.695 1.00 52.11 H new ATOM 982 N VAL A 64 30.956 19.240 0.806 1.00 13.42 N ATOM 983 CA VAL A 64 31.914 19.288 1.899 1.00 34.32 C ATOM 984 C VAL A 64 31.234 19.031 3.241 1.00 53.31 C ATOM 985 O VAL A 64 31.614 18.120 3.971 1.00 3.43 O ATOM 986 CB VAL A 64 32.631 20.655 1.959 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.656 20.681 3.083 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.290 20.975 0.626 1.00 21.11 C ATOM 0 H VAL A 64 30.739 20.149 0.397 1.00 13.42 H new ATOM 0 HA VAL A 64 32.648 18.505 1.708 1.00 34.32 H new ATOM 0 HB VAL A 64 31.883 21.420 2.164 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.147 21.654 3.105 1.00 30.14 H new ATOM 0 HG12 VAL A 64 33.156 20.506 4.036 1.00 30.14 H new ATOM 0 HG13 VAL A 64 34.400 19.902 2.915 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.789 21.942 0.690 1.00 21.11 H new ATOM 0 HG22 VAL A 64 34.022 20.204 0.388 1.00 21.11 H new ATOM 0 HG23 VAL A 64 32.531 21.009 -0.156 1.00 21.11 H new ATOM 998 N VAL A 65 30.207 19.815 3.544 1.00 25.53 N ATOM 999 CA VAL A 65 29.601 19.802 4.874 1.00 41.35 C ATOM 1000 C VAL A 65 28.727 18.566 5.104 1.00 15.00 C ATOM 1001 O VAL A 65 28.669 18.044 6.216 1.00 61.02 O ATOM 1002 CB VAL A 65 28.766 21.079 5.117 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.202 21.102 6.533 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.606 22.320 4.857 1.00 63.33 C ATOM 0 H VAL A 65 29.775 20.468 2.890 1.00 25.53 H new ATOM 0 HA VAL A 65 30.425 19.769 5.587 1.00 41.35 H new ATOM 0 HB VAL A 65 27.928 21.074 4.420 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.619 22.011 6.678 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.562 20.233 6.684 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.021 21.079 7.251 1.00 52.00 H new ATOM 0 HG21 VAL A 65 29.003 23.211 5.033 1.00 63.33 H new ATOM 0 HG22 VAL A 65 30.465 22.325 5.528 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.953 22.315 3.824 1.00 63.33 H new ATOM 1014 N ILE A 66 28.060 18.087 4.057 1.00 60.32 N ATOM 1015 CA ILE A 66 27.142 16.957 4.208 1.00 21.23 C ATOM 1016 C ILE A 66 27.887 15.659 4.490 1.00 32.33 C ATOM 1017 O ILE A 66 27.355 14.756 5.133 1.00 44.40 O ATOM 1018 CB ILE A 66 26.240 16.753 2.972 1.00 4.44 C ATOM 1019 CG1 ILE A 66 27.070 16.377 1.740 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.428 18.011 2.710 1.00 30.33 C ATOM 1021 CD1 ILE A 66 26.237 15.954 0.550 1.00 22.24 C ATOM 0 H ILE A 66 28.134 18.455 3.109 1.00 60.32 H new ATOM 0 HA ILE A 66 26.511 17.209 5.060 1.00 21.23 H new ATOM 0 HB ILE A 66 25.557 15.928 3.175 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.687 17.229 1.455 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.748 15.566 2.004 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.794 17.859 1.836 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.805 18.229 3.577 1.00 30.33 H new ATOM 0 HG23 ILE A 66 26.102 18.848 2.528 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.894 15.703 -0.283 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.639 15.082 0.816 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.577 16.771 0.259 1.00 22.24 H new ATOM 1033 N THR A 67 29.113 15.564 4.005 1.00 14.14 N ATOM 1034 CA THR A 67 29.910 14.373 4.217 1.00 50.13 C ATOM 1035 C THR A 67 30.905 14.596 5.350 1.00 71.42 C ATOM 1036 O THR A 67 31.351 13.651 6.005 1.00 32.31 O ATOM 1037 CB THR A 67 30.654 13.968 2.930 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.496 15.044 2.493 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.664 13.602 1.826 1.00 74.34 C ATOM 0 H THR A 67 29.575 16.295 3.464 1.00 14.14 H new ATOM 0 HA THR A 67 29.236 13.561 4.491 1.00 50.13 H new ATOM 0 HB THR A 67 31.269 13.094 3.147 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.051 15.536 1.772 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.211 13.319 0.926 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.047 12.766 2.154 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.027 14.460 1.609 1.00 74.34 H new ATOM 1047 N HIS A 68 31.232 15.859 5.587 1.00 62.10 N ATOM 1048 CA HIS A 68 32.164 16.233 6.637 1.00 75.44 C ATOM 1049 C HIS A 68 31.560 17.346 7.481 1.00 63.13 C ATOM 1050 O HIS A 68 31.771 18.529 7.208 1.00 34.35 O ATOM 1051 CB HIS A 68 33.506 16.695 6.049 1.00 73.14 C ATOM 1052 CG HIS A 68 34.152 15.694 5.137 1.00 52.01 C ATOM 1053 ND1 HIS A 68 34.280 15.886 3.778 1.00 65.54 N ATOM 1054 CD2 HIS A 68 34.710 14.487 5.396 1.00 52.12 C ATOM 1055 CE1 HIS A 68 34.882 14.842 3.242 1.00 12.54 C ATOM 1056 NE2 HIS A 68 35.156 13.977 4.200 1.00 54.52 N ATOM 0 H HIS A 68 30.860 16.648 5.059 1.00 62.10 H new ATOM 0 HA HIS A 68 32.350 15.358 7.259 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.349 17.623 5.499 1.00 73.14 H new ATOM 0 HB3 HIS A 68 34.191 16.920 6.867 1.00 73.14 H new ATOM 0 HD2 HIS A 68 34.790 14.013 6.363 1.00 52.12 H new ATOM 0 HE1 HIS A 68 35.112 14.716 2.194 1.00 12.54 H new ATOM 0 HE2 HIS A 68 35.622 13.078 4.074 1.00 54.52 H new ATOM 1065 N PHE A 69 30.767 16.957 8.470 1.00 30.31 N ATOM 1066 CA PHE A 69 30.115 17.914 9.356 1.00 22.22 C ATOM 1067 C PHE A 69 31.146 18.787 10.059 1.00 3.34 C ATOM 1068 O PHE A 69 32.128 18.286 10.610 1.00 14.12 O ATOM 1069 CB PHE A 69 29.250 17.188 10.388 1.00 5.11 C ATOM 1070 CG PHE A 69 28.124 16.403 9.784 1.00 12.44 C ATOM 1071 CD1 PHE A 69 26.899 17.003 9.548 1.00 75.14 C ATOM 1072 CD2 PHE A 69 28.288 15.067 9.452 1.00 70.53 C ATOM 1073 CE1 PHE A 69 25.856 16.287 8.992 1.00 11.41 C ATOM 1074 CE2 PHE A 69 27.250 14.345 8.895 1.00 1.20 C ATOM 1075 CZ PHE A 69 26.032 14.956 8.664 1.00 61.22 C ATOM 0 H PHE A 69 30.558 15.981 8.680 1.00 30.31 H new ATOM 0 HA PHE A 69 29.474 18.554 8.750 1.00 22.22 H new ATOM 0 HB2 PHE A 69 29.881 16.515 10.969 1.00 5.11 H new ATOM 0 HB3 PHE A 69 28.839 17.919 11.084 1.00 5.11 H new ATOM 0 HD1 PHE A 69 26.757 18.043 9.801 1.00 75.14 H new ATOM 0 HD2 PHE A 69 29.238 14.585 9.631 1.00 70.53 H new ATOM 0 HE1 PHE A 69 24.905 16.767 8.814 1.00 11.41 H new ATOM 0 HE2 PHE A 69 27.390 13.305 8.641 1.00 1.20 H new ATOM 0 HZ PHE A 69 25.219 14.394 8.228 1.00 61.22 H new ATOM 1085 N THR A 70 30.905 20.087 10.042 1.00 73.34 N ATOM 1086 CA THR A 70 31.844 21.051 10.585 1.00 1.43 C ATOM 1087 C THR A 70 31.631 21.221 12.091 1.00 12.24 C ATOM 1088 O THR A 70 30.572 20.880 12.616 1.00 70.15 O ATOM 1089 CB THR A 70 31.676 22.406 9.870 1.00 44.13 C ATOM 1090 OG1 THR A 70 31.509 22.183 8.465 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.882 23.309 10.094 1.00 54.12 C ATOM 0 H THR A 70 30.058 20.501 9.654 1.00 73.34 H new ATOM 0 HA THR A 70 32.856 20.682 10.420 1.00 1.43 H new ATOM 0 HB THR A 70 30.798 22.901 10.284 1.00 44.13 H new ATOM 0 HG1 THR A 70 31.400 23.043 8.008 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.729 24.256 9.576 1.00 54.12 H new ATOM 0 HG22 THR A 70 33.004 23.495 11.161 1.00 54.12 H new ATOM 0 HG23 THR A 70 33.777 22.823 9.706 1.00 54.12 H new ATOM 1099 N ASP A 71 32.643 21.746 12.775 1.00 4.40 N ATOM 1100 CA ASP A 71 32.602 21.924 14.226 1.00 51.42 C ATOM 1101 C ASP A 71 31.437 22.812 14.651 1.00 70.43 C ATOM 1102 O ASP A 71 30.795 22.569 15.671 1.00 25.34 O ATOM 1103 CB ASP A 71 33.910 22.548 14.721 1.00 3.12 C ATOM 1104 CG ASP A 71 35.126 21.723 14.364 1.00 32.33 C ATOM 1105 OD1 ASP A 71 35.658 21.898 13.244 1.00 55.22 O ATOM 1106 OD2 ASP A 71 35.564 20.908 15.196 1.00 43.24 O ATOM 0 H ASP A 71 33.512 22.060 12.343 1.00 4.40 H new ATOM 0 HA ASP A 71 32.468 20.937 14.670 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.015 23.545 14.294 1.00 3.12 H new ATOM 0 HB3 ASP A 71 33.863 22.668 15.803 1.00 3.12 H new ATOM 1111 N GLU A 72 31.173 23.845 13.863 1.00 53.51 N ATOM 1112 CA GLU A 72 30.152 24.828 14.207 1.00 25.43 C ATOM 1113 C GLU A 72 29.019 24.829 13.187 1.00 33.41 C ATOM 1114 O GLU A 72 28.058 25.589 13.312 1.00 73.40 O ATOM 1115 CB GLU A 72 30.788 26.214 14.280 1.00 22.45 C ATOM 1116 CG GLU A 72 31.893 26.313 15.317 1.00 12.13 C ATOM 1117 CD GLU A 72 32.764 27.531 15.120 1.00 21.13 C ATOM 1118 OE1 GLU A 72 32.343 28.640 15.503 1.00 21.12 O ATOM 1119 OE2 GLU A 72 33.875 27.383 14.575 1.00 34.31 O ATOM 0 H GLU A 72 31.651 24.025 12.980 1.00 53.51 H new ATOM 0 HA GLU A 72 29.730 24.563 15.176 1.00 25.43 H new ATOM 0 HB2 GLU A 72 31.193 26.472 13.302 1.00 22.45 H new ATOM 0 HB3 GLU A 72 30.016 26.949 14.510 1.00 22.45 H new ATOM 0 HG2 GLU A 72 31.451 26.344 16.313 1.00 12.13 H new ATOM 0 HG3 GLU A 72 32.512 25.417 15.271 1.00 12.13 H new ATOM 1126 N LEU A 73 29.126 23.969 12.187 1.00 73.25 N ATOM 1127 CA LEU A 73 28.142 23.917 11.115 1.00 13.42 C ATOM 1128 C LEU A 73 27.628 22.497 10.938 1.00 3.21 C ATOM 1129 O LEU A 73 28.406 21.582 10.667 1.00 21.12 O ATOM 1130 CB LEU A 73 28.746 24.421 9.802 1.00 45.25 C ATOM 1131 CG LEU A 73 29.197 25.884 9.807 1.00 34.40 C ATOM 1132 CD1 LEU A 73 29.874 26.236 8.491 1.00 1.43 C ATOM 1133 CD2 LEU A 73 28.015 26.808 10.057 1.00 14.24 C ATOM 0 H LEU A 73 29.886 23.295 12.094 1.00 73.25 H new ATOM 0 HA LEU A 73 27.308 24.565 11.386 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.602 23.795 9.552 1.00 45.25 H new ATOM 0 HB3 LEU A 73 28.011 24.288 9.008 1.00 45.25 H new ATOM 0 HG LEU A 73 29.916 26.018 10.615 1.00 34.40 H new ATOM 0 HD11 LEU A 73 30.188 27.279 8.511 1.00 1.43 H new ATOM 0 HD12 LEU A 73 30.745 25.597 8.348 1.00 1.43 H new ATOM 0 HD13 LEU A 73 29.174 26.084 7.670 1.00 1.43 H new ATOM 0 HD21 LEU A 73 28.356 27.843 10.057 1.00 14.24 H new ATOM 0 HD22 LEU A 73 27.273 26.670 9.271 1.00 14.24 H new ATOM 0 HD23 LEU A 73 27.568 26.573 11.023 1.00 14.24 H new ATOM 1145 N PRO A 74 26.314 22.289 11.082 1.00 15.30 N ATOM 1146 CA PRO A 74 25.354 23.359 11.368 1.00 74.21 C ATOM 1147 C PRO A 74 25.287 23.715 12.855 1.00 3.21 C ATOM 1148 O PRO A 74 25.671 22.919 13.715 1.00 20.44 O ATOM 1149 CB PRO A 74 24.035 22.748 10.902 1.00 52.45 C ATOM 1150 CG PRO A 74 24.192 21.286 11.155 1.00 33.51 C ATOM 1151 CD PRO A 74 25.655 20.974 10.977 1.00 1.34 C ATOM 0 HA PRO A 74 25.618 24.295 10.876 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.190 23.158 11.455 1.00 52.45 H new ATOM 0 HB3 PRO A 74 23.854 22.951 9.846 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.860 21.029 12.161 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.585 20.705 10.461 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.013 20.286 11.743 1.00 1.34 H new ATOM 0 HD3 PRO A 74 25.849 20.506 10.012 1.00 1.34 H new ATOM 1159 N SER A 75 24.806 24.916 13.149 1.00 34.34 N ATOM 1160 CA SER A 75 24.674 25.373 14.525 1.00 31.40 C ATOM 1161 C SER A 75 23.315 24.960 15.092 1.00 52.02 C ATOM 1162 O SER A 75 22.326 24.915 14.363 1.00 0.30 O ATOM 1163 CB SER A 75 24.833 26.895 14.588 1.00 31.21 C ATOM 1164 OG SER A 75 26.050 27.311 13.984 1.00 22.13 O ATOM 0 H SER A 75 24.500 25.593 12.450 1.00 34.34 H new ATOM 0 HA SER A 75 25.457 24.911 15.126 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.992 27.372 14.084 1.00 31.21 H new ATOM 0 HB3 SER A 75 24.809 27.223 15.627 1.00 31.21 H new ATOM 0 HG SER A 75 26.636 26.535 13.862 1.00 22.13 H new ATOM 1170 N PRO A 76 23.255 24.637 16.398 1.00 45.34 N ATOM 1171 CA PRO A 76 22.013 24.221 17.064 1.00 5.21 C ATOM 1172 C PRO A 76 20.841 25.182 16.821 1.00 44.52 C ATOM 1173 O PRO A 76 19.735 24.743 16.485 1.00 51.42 O ATOM 1174 CB PRO A 76 22.378 24.182 18.556 1.00 72.21 C ATOM 1175 CG PRO A 76 23.755 24.753 18.667 1.00 41.55 C ATOM 1176 CD PRO A 76 24.397 24.615 17.320 1.00 65.15 C ATOM 0 HA PRO A 76 21.667 23.264 16.675 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.668 24.762 19.145 1.00 72.21 H new ATOM 0 HB3 PRO A 76 22.349 23.161 18.937 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.715 25.799 18.970 1.00 41.55 H new ATOM 0 HG3 PRO A 76 24.332 24.224 19.425 1.00 41.55 H new ATOM 0 HD2 PRO A 76 25.091 25.431 17.120 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.963 23.687 17.237 1.00 65.15 H new ATOM 1184 N GLU A 77 21.077 26.487 16.991 1.00 41.22 N ATOM 1185 CA GLU A 77 20.034 27.488 16.749 1.00 22.44 C ATOM 1186 C GLU A 77 19.545 27.417 15.307 1.00 43.15 C ATOM 1187 O GLU A 77 18.352 27.545 15.038 1.00 12.42 O ATOM 1188 CB GLU A 77 20.525 28.915 17.029 1.00 61.33 C ATOM 1189 CG GLU A 77 21.086 29.133 18.423 1.00 22.41 C ATOM 1190 CD GLU A 77 22.555 28.794 18.512 1.00 43.51 C ATOM 1191 OE1 GLU A 77 23.389 29.668 18.199 1.00 3.44 O ATOM 1192 OE2 GLU A 77 22.881 27.655 18.887 1.00 23.01 O ATOM 0 H GLU A 77 21.972 26.872 17.292 1.00 41.22 H new ATOM 0 HA GLU A 77 19.219 27.258 17.435 1.00 22.44 H new ATOM 0 HB2 GLU A 77 21.294 29.169 16.299 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.697 29.606 16.874 1.00 61.33 H new ATOM 0 HG2 GLU A 77 20.938 30.173 18.713 1.00 22.41 H new ATOM 0 HG3 GLU A 77 20.531 28.522 19.135 1.00 22.41 H new ATOM 1199 N ASP A 78 20.479 27.201 14.389 1.00 64.10 N ATOM 1200 CA ASP A 78 20.167 27.139 12.965 1.00 20.24 C ATOM 1201 C ASP A 78 19.283 25.929 12.674 1.00 23.41 C ATOM 1202 O ASP A 78 18.320 26.010 11.911 1.00 70.25 O ATOM 1203 CB ASP A 78 21.461 27.068 12.153 1.00 74.32 C ATOM 1204 CG ASP A 78 21.231 27.225 10.668 1.00 33.44 C ATOM 1205 OD1 ASP A 78 20.663 28.263 10.261 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.626 26.320 9.911 1.00 35.31 O ATOM 0 H ASP A 78 21.466 27.065 14.607 1.00 64.10 H new ATOM 0 HA ASP A 78 19.624 28.039 12.678 1.00 20.24 H new ATOM 0 HB2 ASP A 78 22.142 27.847 12.495 1.00 74.32 H new ATOM 0 HB3 ASP A 78 21.950 26.112 12.341 1.00 74.32 H new ATOM 1211 N VAL A 79 19.609 24.816 13.317 1.00 70.42 N ATOM 1212 CA VAL A 79 18.812 23.598 13.220 1.00 65.40 C ATOM 1213 C VAL A 79 17.388 23.841 13.728 1.00 5.45 C ATOM 1214 O VAL A 79 16.407 23.434 13.099 1.00 24.20 O ATOM 1215 CB VAL A 79 19.466 22.452 14.026 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.593 21.207 14.027 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.845 22.134 13.465 1.00 2.33 C ATOM 0 H VAL A 79 20.429 24.731 13.918 1.00 70.42 H new ATOM 0 HA VAL A 79 18.767 23.310 12.170 1.00 65.40 H new ATOM 0 HB VAL A 79 19.572 22.785 15.059 1.00 45.54 H new ATOM 0 HG11 VAL A 79 19.082 20.420 14.602 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.628 21.440 14.477 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.443 20.867 13.002 1.00 25.41 H new ATOM 0 HG21 VAL A 79 21.295 21.325 14.041 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.752 21.829 12.423 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.477 23.020 13.529 1.00 2.33 H new ATOM 1227 N GLU A 80 17.283 24.524 14.862 1.00 62.32 N ATOM 1228 CA GLU A 80 15.985 24.848 15.443 1.00 15.51 C ATOM 1229 C GLU A 80 15.210 25.780 14.511 1.00 42.51 C ATOM 1230 O GLU A 80 14.003 25.621 14.313 1.00 73.11 O ATOM 1231 CB GLU A 80 16.180 25.490 16.816 1.00 72.14 C ATOM 1232 CG GLU A 80 14.895 25.681 17.596 1.00 41.52 C ATOM 1233 CD GLU A 80 15.153 26.163 19.006 1.00 51.12 C ATOM 1234 OE1 GLU A 80 15.454 25.318 19.879 1.00 11.14 O ATOM 1235 OE2 GLU A 80 15.075 27.383 19.248 1.00 23.22 O ATOM 0 H GLU A 80 18.081 24.864 15.398 1.00 62.32 H new ATOM 0 HA GLU A 80 15.406 23.933 15.567 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.860 24.871 17.402 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.662 26.459 16.687 1.00 72.14 H new ATOM 0 HG2 GLU A 80 14.260 26.400 17.078 1.00 41.52 H new ATOM 0 HG3 GLU A 80 14.348 24.739 17.630 1.00 41.52 H new ATOM 1242 N ARG A 81 15.929 26.737 13.935 1.00 50.40 N ATOM 1243 CA ARG A 81 15.384 27.647 12.931 1.00 73.35 C ATOM 1244 C ARG A 81 14.719 26.880 11.786 1.00 24.52 C ATOM 1245 O ARG A 81 13.527 27.069 11.505 1.00 72.03 O ATOM 1246 CB ARG A 81 16.515 28.541 12.413 1.00 51.11 C ATOM 1247 CG ARG A 81 16.285 29.139 11.035 1.00 33.12 C ATOM 1248 CD ARG A 81 15.118 30.108 10.991 1.00 12.04 C ATOM 1249 NE ARG A 81 14.935 30.642 9.643 1.00 54.21 N ATOM 1250 CZ ARG A 81 13.858 31.304 9.235 1.00 1.12 C ATOM 1251 NH1 ARG A 81 12.872 31.577 10.082 1.00 25.34 N ATOM 1252 NH2 ARG A 81 13.778 31.712 7.977 1.00 65.00 N ATOM 0 H ARG A 81 16.911 26.905 14.152 1.00 50.40 H new ATOM 0 HA ARG A 81 14.610 28.265 13.387 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.669 29.353 13.123 1.00 51.11 H new ATOM 0 HB3 ARG A 81 17.436 27.958 12.390 1.00 51.11 H new ATOM 0 HG2 ARG A 81 17.190 29.655 10.714 1.00 33.12 H new ATOM 0 HG3 ARG A 81 16.108 28.334 10.322 1.00 33.12 H new ATOM 0 HD2 ARG A 81 14.208 29.602 11.313 1.00 12.04 H new ATOM 0 HD3 ARG A 81 15.293 30.926 11.690 1.00 12.04 H new ATOM 0 HE ARG A 81 15.686 30.496 8.969 1.00 54.21 H new ATOM 0 HH11 ARG A 81 12.938 31.278 11.055 1.00 25.34 H new ATOM 0 HH12 ARG A 81 12.049 32.086 9.760 1.00 25.34 H new ATOM 0 HH21 ARG A 81 14.541 31.517 7.328 1.00 65.00 H new ATOM 0 HH22 ARG A 81 12.954 32.221 7.657 1.00 65.00 H new ATOM 1266 N VAL A 82 15.479 26.005 11.134 1.00 32.54 N ATOM 1267 CA VAL A 82 14.964 25.279 9.984 1.00 71.44 C ATOM 1268 C VAL A 82 13.832 24.340 10.396 1.00 64.30 C ATOM 1269 O VAL A 82 12.890 24.130 9.634 1.00 33.50 O ATOM 1270 CB VAL A 82 16.074 24.490 9.248 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.401 23.180 9.952 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.679 24.239 7.803 1.00 23.43 C ATOM 0 H VAL A 82 16.444 25.785 11.381 1.00 32.54 H new ATOM 0 HA VAL A 82 14.572 26.022 9.289 1.00 71.44 H new ATOM 0 HB VAL A 82 16.977 25.101 9.264 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.184 22.658 9.403 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.745 23.387 10.965 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.508 22.556 9.992 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.471 23.683 7.301 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.755 23.661 7.773 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.527 25.192 7.296 1.00 23.43 H new ATOM 1282 N ARG A 83 13.910 23.794 11.608 1.00 12.43 N ATOM 1283 CA ARG A 83 12.849 22.932 12.111 1.00 22.25 C ATOM 1284 C ARG A 83 11.535 23.702 12.181 1.00 63.13 C ATOM 1285 O ARG A 83 10.532 23.277 11.615 1.00 31.24 O ATOM 1286 CB ARG A 83 13.195 22.376 13.495 1.00 63.22 C ATOM 1287 CG ARG A 83 12.102 21.487 14.077 1.00 61.31 C ATOM 1288 CD ARG A 83 12.409 21.070 15.507 1.00 74.43 C ATOM 1289 NE ARG A 83 11.342 20.244 16.077 1.00 41.44 N ATOM 1290 CZ ARG A 83 11.117 20.111 17.384 1.00 73.12 C ATOM 1291 NH1 ARG A 83 11.862 20.771 18.264 1.00 20.14 N ATOM 1292 NH2 ARG A 83 10.130 19.331 17.806 1.00 15.30 N ATOM 0 H ARG A 83 14.689 23.932 12.252 1.00 12.43 H new ATOM 0 HA ARG A 83 12.743 22.095 11.421 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.121 21.805 13.429 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.380 23.206 14.177 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.150 22.018 14.050 1.00 61.31 H new ATOM 0 HG3 ARG A 83 11.989 20.598 13.456 1.00 61.31 H new ATOM 0 HD2 ARG A 83 13.348 20.517 15.530 1.00 74.43 H new ATOM 0 HD3 ARG A 83 12.548 21.959 16.122 1.00 74.43 H new ATOM 0 HE ARG A 83 10.733 19.739 15.433 1.00 41.44 H new ATOM 0 HH11 ARG A 83 12.611 21.383 17.941 1.00 20.14 H new ATOM 0 HH12 ARG A 83 11.685 20.665 19.263 1.00 20.14 H new ATOM 0 HH21 ARG A 83 9.547 18.836 17.131 1.00 15.30 H new ATOM 0 HH22 ARG A 83 9.954 19.226 18.805 1.00 15.30 H new ATOM 1306 N ALA A 84 11.561 24.848 12.854 1.00 12.14 N ATOM 1307 CA ALA A 84 10.369 25.673 13.015 1.00 60.24 C ATOM 1308 C ALA A 84 9.821 26.121 11.663 1.00 70.42 C ATOM 1309 O ALA A 84 8.607 26.145 11.448 1.00 23.24 O ATOM 1310 CB ALA A 84 10.681 26.882 13.885 1.00 63.52 C ATOM 0 H ALA A 84 12.397 25.227 13.298 1.00 12.14 H new ATOM 0 HA ALA A 84 9.604 25.070 13.505 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.784 27.490 13.998 1.00 63.52 H new ATOM 0 HB2 ALA A 84 11.018 26.547 14.866 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.465 27.476 13.415 1.00 63.52 H new ATOM 1316 N ARG A 85 10.726 26.469 10.755 1.00 4.11 N ATOM 1317 CA ARG A 85 10.344 26.923 9.421 1.00 74.14 C ATOM 1318 C ARG A 85 9.711 25.794 8.594 1.00 31.20 C ATOM 1319 O ARG A 85 8.736 26.013 7.874 1.00 12.24 O ATOM 1320 CB ARG A 85 11.576 27.484 8.701 1.00 14.31 C ATOM 1321 CG ARG A 85 11.317 27.955 7.277 1.00 15.44 C ATOM 1322 CD ARG A 85 10.372 29.146 7.224 1.00 12.24 C ATOM 1323 NE ARG A 85 10.216 29.637 5.855 1.00 30.11 N ATOM 1324 CZ ARG A 85 9.416 30.642 5.496 1.00 74.23 C ATOM 1325 NH1 ARG A 85 8.646 31.248 6.388 1.00 74.02 N ATOM 1326 NH2 ARG A 85 9.383 31.038 4.230 1.00 62.23 N ATOM 0 H ARG A 85 11.733 26.446 10.918 1.00 4.11 H new ATOM 0 HA ARG A 85 9.593 27.705 9.529 1.00 74.14 H new ATOM 0 HB2 ARG A 85 11.970 28.319 9.280 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.350 26.717 8.681 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.264 28.224 6.808 1.00 15.44 H new ATOM 0 HG3 ARG A 85 10.896 27.134 6.696 1.00 15.44 H new ATOM 0 HD2 ARG A 85 9.399 28.860 7.624 1.00 12.24 H new ATOM 0 HD3 ARG A 85 10.754 29.946 7.859 1.00 12.24 H new ATOM 0 HE ARG A 85 10.758 29.178 5.123 1.00 30.11 H new ATOM 0 HH11 ARG A 85 8.661 30.947 7.363 1.00 74.02 H new ATOM 0 HH12 ARG A 85 8.039 32.015 6.100 1.00 74.02 H new ATOM 0 HH21 ARG A 85 9.968 30.574 3.535 1.00 62.23 H new ATOM 0 HH22 ARG A 85 8.772 31.806 3.952 1.00 62.23 H new ATOM 1340 N LEU A 86 10.264 24.591 8.700 1.00 63.41 N ATOM 1341 CA LEU A 86 9.823 23.468 7.871 1.00 3.23 C ATOM 1342 C LEU A 86 8.657 22.698 8.494 1.00 51.33 C ATOM 1343 O LEU A 86 7.886 22.051 7.779 1.00 11.12 O ATOM 1344 CB LEU A 86 10.988 22.510 7.608 1.00 64.25 C ATOM 1345 CG LEU A 86 11.856 22.832 6.386 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.059 22.652 5.103 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.413 24.245 6.462 1.00 3.31 C ATOM 0 H LEU A 86 11.017 24.365 9.350 1.00 63.41 H new ATOM 0 HA LEU A 86 9.471 23.892 6.931 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.628 22.496 8.490 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.586 21.504 7.489 1.00 64.25 H new ATOM 0 HG LEU A 86 12.695 22.136 6.382 1.00 51.31 H new ATOM 0 HD11 LEU A 86 11.691 22.885 4.246 1.00 63.43 H new ATOM 0 HD12 LEU A 86 10.715 21.620 5.030 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.199 23.322 5.112 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.024 24.443 5.581 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.590 24.959 6.501 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.025 24.347 7.358 1.00 3.31 H new ATOM 1359 N ALA A 87 8.528 22.771 9.816 1.00 64.31 N ATOM 1360 CA ALA A 87 7.493 22.024 10.533 1.00 55.30 C ATOM 1361 C ALA A 87 6.093 22.488 10.154 1.00 40.51 C ATOM 1362 O ALA A 87 5.126 21.736 10.270 1.00 60.31 O ATOM 1363 CB ALA A 87 7.695 22.145 12.036 1.00 2.20 C ATOM 0 H ALA A 87 9.127 23.340 10.415 1.00 64.31 H new ATOM 0 HA ALA A 87 7.586 20.978 10.241 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.917 21.584 12.554 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.672 21.744 12.305 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.641 23.194 12.327 1.00 2.20 H new ATOM 1369 N ALA A 88 5.995 23.725 9.686 1.00 12.20 N ATOM 1370 CA ALA A 88 4.713 24.305 9.308 1.00 35.54 C ATOM 1371 C ALA A 88 4.116 23.592 8.096 1.00 70.35 C ATOM 1372 O ALA A 88 2.906 23.627 7.878 1.00 34.21 O ATOM 1373 CB ALA A 88 4.881 25.788 9.019 1.00 1.20 C ATOM 0 H ALA A 88 6.792 24.349 9.559 1.00 12.20 H new ATOM 0 HA ALA A 88 4.023 24.178 10.142 1.00 35.54 H new ATOM 0 HB1 ALA A 88 3.919 26.215 8.737 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.255 26.292 9.910 1.00 1.20 H new ATOM 0 HB3 ALA A 88 5.590 25.921 8.202 1.00 1.20 H new ATOM 1379 N GLN A 89 4.971 22.925 7.326 1.00 43.22 N ATOM 1380 CA GLN A 89 4.548 22.257 6.098 1.00 34.15 C ATOM 1381 C GLN A 89 4.138 20.809 6.370 1.00 43.51 C ATOM 1382 O GLN A 89 4.192 19.961 5.481 1.00 25.11 O ATOM 1383 CB GLN A 89 5.672 22.287 5.054 1.00 71.20 C ATOM 1384 CG GLN A 89 5.899 23.641 4.386 1.00 64.44 C ATOM 1385 CD GLN A 89 6.300 24.736 5.356 1.00 71.20 C ATOM 1386 OE1 GLN A 89 5.458 25.476 5.859 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.587 24.833 5.639 1.00 62.23 N ATOM 0 H GLN A 89 5.966 22.832 7.532 1.00 43.22 H new ATOM 0 HA GLN A 89 3.683 22.796 5.710 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.600 21.975 5.533 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.449 21.551 4.282 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.675 23.537 3.627 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.987 23.940 3.870 1.00 64.44 H new ATOM 0 HE21 GLN A 89 8.255 24.199 5.200 1.00 62.23 H new ATOM 0 HE22 GLN A 89 7.913 25.542 6.296 1.00 62.23 H new ATOM 1396 N GLY A 90 3.740 20.527 7.601 1.00 41.15 N ATOM 1397 CA GLY A 90 3.266 19.198 7.939 1.00 31.11 C ATOM 1398 C GLY A 90 4.313 18.377 8.659 1.00 31.14 C ATOM 1399 O GLY A 90 4.008 17.707 9.646 1.00 41.14 O ATOM 0 H GLY A 90 3.736 21.193 8.373 1.00 41.15 H new ATOM 0 HA2 GLY A 90 2.379 19.281 8.566 1.00 31.11 H new ATOM 0 HA3 GLY A 90 2.965 18.680 7.028 1.00 31.11 H new ATOM 1403 N TRP A 91 5.545 18.435 8.152 1.00 1.05 N ATOM 1404 CA TRP A 91 6.690 17.750 8.758 1.00 21.13 C ATOM 1405 C TRP A 91 6.523 16.226 8.700 1.00 24.15 C ATOM 1406 O TRP A 91 5.874 15.623 9.556 1.00 54.32 O ATOM 1407 CB TRP A 91 6.892 18.220 10.205 1.00 54.31 C ATOM 1408 CG TRP A 91 8.174 17.752 10.824 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.362 16.630 11.579 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.446 18.401 10.746 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.675 16.541 11.970 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.362 17.617 11.470 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.902 19.568 10.128 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.705 17.966 11.596 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 11.233 19.914 10.253 1.00 21.42 C ATOM 1416 CH2 TRP A 91 12.121 19.114 10.979 1.00 15.43 C ATOM 0 H TRP A 91 5.779 18.959 7.308 1.00 1.05 H new ATOM 0 HA TRP A 91 7.579 18.007 8.182 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.865 19.309 10.230 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.058 17.867 10.811 1.00 54.31 H new ATOM 0 HD1 TRP A 91 7.591 15.917 11.832 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.075 15.795 12.540 1.00 72.51 H new ATOM 0 HE3 TRP A 91 9.224 20.190 9.562 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.392 17.353 12.160 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 11.594 20.817 9.783 1.00 21.42 H new ATOM 0 HH2 TRP A 91 13.157 19.409 11.054 1.00 15.43 H new ATOM 1427 N PRO A 92 7.097 15.586 7.670 1.00 64.14 N ATOM 1428 CA PRO A 92 7.027 14.136 7.501 1.00 60.55 C ATOM 1429 C PRO A 92 8.165 13.396 8.210 1.00 0.42 C ATOM 1430 O PRO A 92 8.302 12.180 8.087 1.00 12.41 O ATOM 1431 CB PRO A 92 7.149 13.980 5.989 1.00 45.11 C ATOM 1432 CG PRO A 92 8.021 15.115 5.558 1.00 23.52 C ATOM 1433 CD PRO A 92 7.831 16.228 6.564 1.00 20.11 C ATOM 0 HA PRO A 92 6.120 13.712 7.931 1.00 60.55 H new ATOM 0 HB2 PRO A 92 7.591 13.019 5.725 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.173 14.026 5.506 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.065 14.805 5.519 1.00 23.52 H new ATOM 0 HG3 PRO A 92 7.750 15.450 4.557 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.787 16.631 6.900 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.267 17.058 6.139 1.00 20.11 H new ATOM 1441 N LEU A 93 8.975 14.133 8.959 1.00 21.21 N ATOM 1442 CA LEU A 93 10.113 13.546 9.661 1.00 44.02 C ATOM 1443 C LEU A 93 9.714 13.100 11.062 1.00 73.14 C ATOM 1444 O LEU A 93 10.352 13.456 12.055 1.00 62.40 O ATOM 1445 CB LEU A 93 11.282 14.535 9.723 1.00 23.12 C ATOM 1446 CG LEU A 93 12.281 14.449 8.562 1.00 64.11 C ATOM 1447 CD1 LEU A 93 11.578 14.594 7.221 1.00 64.22 C ATOM 1448 CD2 LEU A 93 13.358 15.511 8.715 1.00 63.12 C ATOM 0 H LEU A 93 8.867 15.138 9.097 1.00 21.21 H new ATOM 0 HA LEU A 93 10.437 12.668 9.103 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.878 15.547 9.758 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.822 14.375 10.656 1.00 23.12 H new ATOM 0 HG LEU A 93 12.750 13.465 8.590 1.00 64.11 H new ATOM 0 HD11 LEU A 93 12.311 14.529 6.417 1.00 64.22 H new ATOM 0 HD12 LEU A 93 10.843 13.797 7.107 1.00 64.22 H new ATOM 0 HD13 LEU A 93 11.075 15.560 7.176 1.00 64.22 H new ATOM 0 HD21 LEU A 93 14.060 15.439 7.885 1.00 63.12 H new ATOM 0 HD22 LEU A 93 12.897 16.499 8.716 1.00 63.12 H new ATOM 0 HD23 LEU A 93 13.889 15.358 9.654 1.00 63.12 H new ATOM 1460 N ASP A 94 8.649 12.321 11.129 1.00 75.24 N ATOM 1461 CA ASP A 94 8.187 11.752 12.383 1.00 4.40 C ATOM 1462 C ASP A 94 7.555 10.396 12.123 1.00 41.41 C ATOM 1463 O ASP A 94 6.448 10.308 11.590 1.00 14.45 O ATOM 1464 CB ASP A 94 7.182 12.680 13.071 1.00 63.34 C ATOM 1465 CG ASP A 94 6.790 12.185 14.451 1.00 62.41 C ATOM 1466 OD1 ASP A 94 7.610 12.311 15.384 1.00 74.41 O ATOM 1467 OD2 ASP A 94 5.659 11.682 14.613 1.00 43.30 O ATOM 0 H ASP A 94 8.082 12.066 10.320 1.00 75.24 H new ATOM 0 HA ASP A 94 9.043 11.633 13.047 1.00 4.40 H new ATOM 0 HB2 ASP A 94 7.611 13.678 13.154 1.00 63.34 H new ATOM 0 HB3 ASP A 94 6.289 12.767 12.452 1.00 63.34 H new ATOM 1472 N ASP A 95 8.282 9.345 12.454 1.00 73.02 N ATOM 1473 CA ASP A 95 7.811 7.987 12.231 1.00 2.34 C ATOM 1474 C ASP A 95 7.362 7.356 13.541 1.00 51.34 C ATOM 1475 O ASP A 95 7.378 8.006 14.587 1.00 12.12 O ATOM 1476 CB ASP A 95 8.903 7.139 11.564 1.00 41.44 C ATOM 1477 CG ASP A 95 10.208 7.129 12.336 1.00 74.21 C ATOM 1478 OD1 ASP A 95 10.939 8.145 12.288 1.00 34.21 O ATOM 1479 OD2 ASP A 95 10.525 6.096 12.964 1.00 54.30 O ATOM 0 H ASP A 95 9.206 9.405 12.881 1.00 73.02 H new ATOM 0 HA ASP A 95 6.953 8.026 11.559 1.00 2.34 H new ATOM 0 HB2 ASP A 95 8.544 6.115 11.457 1.00 41.44 H new ATOM 0 HB3 ASP A 95 9.086 7.519 10.559 1.00 41.44 H new ATOM 1484 N VAL A 96 6.946 6.096 13.470 1.00 71.32 N ATOM 1485 CA VAL A 96 6.430 5.389 14.635 1.00 22.53 C ATOM 1486 C VAL A 96 7.460 5.340 15.766 1.00 14.41 C ATOM 1487 O VAL A 96 8.483 4.656 15.683 1.00 35.44 O ATOM 1488 CB VAL A 96 5.951 3.959 14.273 1.00 52.40 C ATOM 1489 CG1 VAL A 96 7.042 3.168 13.565 1.00 14.32 C ATOM 1490 CG2 VAL A 96 5.466 3.219 15.513 1.00 21.21 C ATOM 0 H VAL A 96 6.957 5.542 12.614 1.00 71.32 H new ATOM 0 HA VAL A 96 5.567 5.953 14.988 1.00 22.53 H new ATOM 0 HB VAL A 96 5.113 4.058 13.583 1.00 52.40 H new ATOM 0 HG11 VAL A 96 6.672 2.171 13.326 1.00 14.32 H new ATOM 0 HG12 VAL A 96 7.324 3.680 12.645 1.00 14.32 H new ATOM 0 HG13 VAL A 96 7.912 3.086 14.216 1.00 14.32 H new ATOM 0 HG21 VAL A 96 5.135 2.219 15.234 1.00 21.21 H new ATOM 0 HG22 VAL A 96 6.280 3.144 16.234 1.00 21.21 H new ATOM 0 HG23 VAL A 96 4.635 3.764 15.960 1.00 21.21 H new ATOM 1500 N ARG A 97 7.184 6.092 16.821 1.00 41.12 N ATOM 1501 CA ARG A 97 8.066 6.146 17.976 1.00 64.31 C ATOM 1502 C ARG A 97 7.600 5.185 19.059 1.00 4.21 C ATOM 1503 O ARG A 97 8.225 5.067 20.112 1.00 42.12 O ATOM 1504 CB ARG A 97 8.132 7.570 18.527 1.00 63.00 C ATOM 1505 CG ARG A 97 6.788 8.133 18.959 1.00 70.22 C ATOM 1506 CD ARG A 97 6.926 9.550 19.494 1.00 74.05 C ATOM 1507 NE ARG A 97 7.431 10.476 18.479 1.00 74.14 N ATOM 1508 CZ ARG A 97 8.459 11.303 18.670 1.00 21.31 C ATOM 1509 NH1 ARG A 97 9.121 11.298 19.823 1.00 42.30 N ATOM 1510 NH2 ARG A 97 8.829 12.135 17.706 1.00 4.22 N ATOM 0 H ARG A 97 6.351 6.676 16.900 1.00 41.12 H new ATOM 0 HA ARG A 97 9.064 5.845 17.657 1.00 64.31 H new ATOM 0 HB2 ARG A 97 8.811 7.587 19.379 1.00 63.00 H new ATOM 0 HB3 ARG A 97 8.559 8.223 17.766 1.00 63.00 H new ATOM 0 HG2 ARG A 97 6.101 8.127 18.113 1.00 70.22 H new ATOM 0 HG3 ARG A 97 6.354 7.493 19.727 1.00 70.22 H new ATOM 0 HD2 ARG A 97 5.957 9.898 19.851 1.00 74.05 H new ATOM 0 HD3 ARG A 97 7.600 9.549 20.351 1.00 74.05 H new ATOM 0 HE ARG A 97 6.968 10.489 17.570 1.00 74.14 H new ATOM 0 HH11 ARG A 97 8.843 10.659 20.568 1.00 42.30 H new ATOM 0 HH12 ARG A 97 9.907 11.933 19.963 1.00 42.30 H new ATOM 0 HH21 ARG A 97 8.327 12.142 16.818 1.00 4.22 H new ATOM 0 HH22 ARG A 97 9.616 12.768 17.852 1.00 4.22 H new ATOM 1524 N ASP A 98 6.492 4.510 18.798 1.00 14.21 N ATOM 1525 CA ASP A 98 5.979 3.505 19.722 1.00 30.32 C ATOM 1526 C ASP A 98 6.871 2.273 19.683 1.00 50.43 C ATOM 1527 O ASP A 98 6.794 1.458 18.763 1.00 33.41 O ATOM 1528 CB ASP A 98 4.533 3.124 19.392 1.00 32.43 C ATOM 1529 CG ASP A 98 3.936 2.186 20.427 1.00 72.12 C ATOM 1530 OD1 ASP A 98 3.906 2.557 21.618 1.00 71.52 O ATOM 1531 OD2 ASP A 98 3.471 1.085 20.054 1.00 23.42 O ATOM 0 H ASP A 98 5.930 4.638 17.956 1.00 14.21 H new ATOM 0 HA ASP A 98 5.986 3.929 20.726 1.00 30.32 H new ATOM 0 HB2 ASP A 98 3.926 4.027 19.330 1.00 32.43 H new ATOM 0 HB3 ASP A 98 4.499 2.649 18.411 1.00 32.43 H new ATOM 1536 N ARG A 99 7.743 2.170 20.669 1.00 40.24 N ATOM 1537 CA ARG A 99 8.723 1.097 20.728 1.00 32.23 C ATOM 1538 C ARG A 99 8.234 -0.005 21.661 1.00 22.32 C ATOM 1539 O ARG A 99 8.709 -1.140 21.603 1.00 1.10 O ATOM 1540 CB ARG A 99 10.058 1.676 21.211 1.00 64.42 C ATOM 1541 CG ARG A 99 11.227 0.704 21.205 1.00 3.52 C ATOM 1542 CD ARG A 99 12.485 1.383 21.722 1.00 23.24 C ATOM 1543 NE ARG A 99 13.628 0.475 21.794 1.00 64.52 N ATOM 1544 CZ ARG A 99 14.493 0.447 22.810 1.00 3.44 C ATOM 1545 NH1 ARG A 99 14.300 1.216 23.879 1.00 14.30 N ATOM 1546 NH2 ARG A 99 15.546 -0.359 22.763 1.00 71.43 N ATOM 0 H ARG A 99 7.793 2.824 21.450 1.00 40.24 H new ATOM 0 HA ARG A 99 8.861 0.659 19.739 1.00 32.23 H new ATOM 0 HB2 ARG A 99 10.313 2.530 20.583 1.00 64.42 H new ATOM 0 HB3 ARG A 99 9.926 2.054 22.225 1.00 64.42 H new ATOM 0 HG2 ARG A 99 10.992 -0.161 21.825 1.00 3.52 H new ATOM 0 HG3 ARG A 99 11.395 0.334 20.194 1.00 3.52 H new ATOM 0 HD2 ARG A 99 12.733 2.222 21.072 1.00 23.24 H new ATOM 0 HD3 ARG A 99 12.290 1.794 22.712 1.00 23.24 H new ATOM 0 HE ARG A 99 13.773 -0.176 21.022 1.00 64.52 H new ATOM 0 HH11 ARG A 99 13.488 1.831 23.925 1.00 14.30 H new ATOM 0 HH12 ARG A 99 14.965 1.190 24.652 1.00 14.30 H new ATOM 0 HH21 ARG A 99 15.694 -0.957 21.950 1.00 71.43 H new ATOM 0 HH22 ARG A 99 16.207 -0.380 23.540 1.00 71.43 H new ATOM 1560 N GLU A 100 7.254 0.343 22.492 1.00 14.13 N ATOM 1561 CA GLU A 100 6.738 -0.549 23.527 1.00 21.13 C ATOM 1562 C GLU A 100 7.873 -0.976 24.452 1.00 70.42 C ATOM 1563 O GLU A 100 8.383 -2.094 24.376 1.00 75.53 O ATOM 1564 CB GLU A 100 6.026 -1.764 22.920 1.00 10.32 C ATOM 1565 CG GLU A 100 5.242 -2.582 23.936 1.00 41.30 C ATOM 1566 CD GLU A 100 4.414 -3.671 23.290 1.00 40.11 C ATOM 1567 OE1 GLU A 100 3.519 -3.338 22.483 1.00 63.33 O ATOM 1568 OE2 GLU A 100 4.640 -4.861 23.595 1.00 2.33 O ATOM 0 H GLU A 100 6.795 1.253 22.466 1.00 14.13 H new ATOM 0 HA GLU A 100 5.995 -0.007 24.112 1.00 21.13 H new ATOM 0 HB2 GLU A 100 5.347 -1.423 22.139 1.00 10.32 H new ATOM 0 HB3 GLU A 100 6.765 -2.406 22.442 1.00 10.32 H new ATOM 0 HG2 GLU A 100 5.935 -3.031 24.648 1.00 41.30 H new ATOM 0 HG3 GLU A 100 4.587 -1.920 24.503 1.00 41.30 H new ATOM 1575 N GLU A 101 8.282 -0.053 25.303 1.00 40.31 N ATOM 1576 CA GLU A 101 9.429 -0.256 26.171 1.00 43.23 C ATOM 1577 C GLU A 101 8.974 -0.643 27.571 1.00 61.40 C ATOM 1578 O GLU A 101 9.576 -1.496 28.219 1.00 65.34 O ATOM 1579 CB GLU A 101 10.262 1.024 26.197 1.00 33.35 C ATOM 1580 CG GLU A 101 10.664 1.474 24.803 1.00 52.03 C ATOM 1581 CD GLU A 101 11.212 2.881 24.762 1.00 24.22 C ATOM 1582 OE1 GLU A 101 10.406 3.837 24.780 1.00 41.45 O ATOM 1583 OE2 GLU A 101 12.445 3.040 24.678 1.00 45.10 O ATOM 0 H GLU A 101 7.831 0.855 25.412 1.00 40.31 H new ATOM 0 HA GLU A 101 10.042 -1.072 25.788 1.00 43.23 H new ATOM 0 HB2 GLU A 101 9.693 1.816 26.683 1.00 33.35 H new ATOM 0 HB3 GLU A 101 11.157 0.861 26.797 1.00 33.35 H new ATOM 0 HG2 GLU A 101 11.414 0.788 24.410 1.00 52.03 H new ATOM 0 HG3 GLU A 101 9.798 1.410 24.145 1.00 52.03 H new ATOM 1590 N HIS A 102 7.912 0.000 28.033 1.00 21.45 N ATOM 1591 CA HIS A 102 7.289 -0.347 29.305 1.00 25.33 C ATOM 1592 C HIS A 102 5.779 -0.252 29.159 1.00 50.12 C ATOM 1593 O HIS A 102 5.248 0.823 28.877 1.00 63.21 O ATOM 1594 CB HIS A 102 7.757 0.579 30.437 1.00 45.51 C ATOM 1595 CG HIS A 102 9.225 0.505 30.734 1.00 1.23 C ATOM 1596 ND1 HIS A 102 9.774 -0.378 31.643 1.00 23.13 N ATOM 1597 CD2 HIS A 102 10.262 1.219 30.237 1.00 10.20 C ATOM 1598 CE1 HIS A 102 11.082 -0.198 31.689 1.00 13.04 C ATOM 1599 NE2 HIS A 102 11.402 0.763 30.845 1.00 5.31 N ATOM 0 H HIS A 102 7.459 0.771 27.542 1.00 21.45 H new ATOM 0 HA HIS A 102 7.583 -1.364 29.565 1.00 25.33 H new ATOM 0 HB2 HIS A 102 7.503 1.607 30.177 1.00 45.51 H new ATOM 0 HB3 HIS A 102 7.203 0.333 31.343 1.00 45.51 H new ATOM 0 HD2 HIS A 102 10.202 2.004 29.497 1.00 10.20 H new ATOM 0 HE1 HIS A 102 11.773 -0.746 32.313 1.00 13.04 H new ATOM 0 HE2 HIS A 102 12.345 1.111 30.673 1.00 5.31 H new ATOM 1608 N ALA A 103 5.098 -1.373 29.322 1.00 73.32 N ATOM 1609 CA ALA A 103 3.652 -1.412 29.179 1.00 31.42 C ATOM 1610 C ALA A 103 3.022 -2.164 30.341 1.00 64.31 C ATOM 1611 O ALA A 103 2.681 -3.354 30.169 1.00 52.35 O ATOM 1612 CB ALA A 103 3.271 -2.054 27.851 1.00 51.41 C ATOM 1613 OXT ALA A 103 2.902 -1.571 31.434 1.00 0.00 O ATOM 0 H ALA A 103 5.524 -2.270 29.554 1.00 73.32 H new ATOM 0 HA ALA A 103 3.272 -0.390 29.190 1.00 31.42 H new ATOM 0 HB1 ALA A 103 2.185 -2.077 27.756 1.00 51.41 H new ATOM 0 HB2 ALA A 103 3.694 -1.473 27.031 1.00 51.41 H new ATOM 0 HB3 ALA A 103 3.660 -3.071 27.814 1.00 51.41 H new TER 1619 ALA A 103