USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 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 32 ASN : amide:sc= -1.22 K(o=-3.1,f=-7!) USER MOD Set 1.2: A 69 MET CE :methyl 170:sc= -1.9 (180deg=-1.02) USER MOD Set 2.1: A 8 SER OG : rot -143:sc= 0.773 USER MOD Set 2.2: A 16 ASN :FLIP amide:sc= -1.29 F(o=-1.4,f=-0.51) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.737 K(o=-0.74,f=-4.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 1:sc= 0.857! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 49 GLN : amide:sc= -0.958 X(o=-0.96,f=-0.51) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.4!) USER MOD Single : A 70 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 73 SER OG : rot -38:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.002 -1.196 -0.862 1.00 32.51 N ATOM 19 CA LYS A 2 4.072 -2.179 -0.977 1.00 65.52 C ATOM 20 C LYS A 2 3.674 -3.498 -0.321 1.00 10.50 C ATOM 21 O LYS A 2 3.994 -3.745 0.842 1.00 72.21 O ATOM 22 CB LYS A 2 5.355 -1.645 -0.335 1.00 73.00 C ATOM 23 CG LYS A 2 5.133 -1.005 1.024 1.00 0.33 C ATOM 24 CD LYS A 2 6.446 -0.580 1.661 1.00 35.25 C ATOM 25 CE LYS A 2 6.238 -0.073 3.080 1.00 20.34 C ATOM 26 NZ LYS A 2 7.530 0.119 3.795 1.00 22.33 N ATOM 0 HA LYS A 2 4.251 -2.360 -2.037 1.00 65.52 H new ATOM 0 HB2 LYS A 2 6.067 -2.464 -0.230 1.00 73.00 H new ATOM 0 HB3 LYS A 2 5.808 -0.912 -1.003 1.00 73.00 H new ATOM 0 HG2 LYS A 2 4.482 -0.137 0.917 1.00 0.33 H new ATOM 0 HG3 LYS A 2 4.620 -1.709 1.680 1.00 0.33 H new ATOM 0 HD2 LYS A 2 7.136 -1.424 1.672 1.00 35.25 H new ATOM 0 HD3 LYS A 2 6.908 0.202 1.058 1.00 35.25 H new ATOM 0 HE2 LYS A 2 5.694 0.871 3.052 1.00 20.34 H new ATOM 0 HE3 LYS A 2 5.619 -0.781 3.632 1.00 20.34 H new ATOM 0 HZ1 LYS A 2 7.346 0.465 4.758 1.00 22.33 H new ATOM 0 HZ2 LYS A 2 8.038 -0.787 3.844 1.00 22.33 H new ATOM 0 HZ3 LYS A 2 8.110 0.814 3.283 1.00 22.33 H new ATOM 40 N PHE A 3 2.975 -4.341 -1.074 1.00 44.30 N ATOM 41 CA PHE A 3 2.534 -5.634 -0.565 1.00 71.13 C ATOM 42 C PHE A 3 2.517 -6.679 -1.677 1.00 43.12 C ATOM 43 O PHE A 3 1.830 -6.516 -2.686 1.00 32.42 O ATOM 44 CB PHE A 3 1.141 -5.513 0.057 1.00 43.22 C ATOM 45 CG PHE A 3 0.699 -6.752 0.782 1.00 54.42 C ATOM 46 CD1 PHE A 3 1.064 -6.966 2.101 1.00 11.11 C ATOM 47 CD2 PHE A 3 -0.083 -7.701 0.144 1.00 31.43 C ATOM 48 CE1 PHE A 3 0.659 -8.105 2.770 1.00 34.31 C ATOM 49 CE2 PHE A 3 -0.492 -8.843 0.808 1.00 2.44 C ATOM 50 CZ PHE A 3 -0.121 -9.044 2.123 1.00 32.24 C ATOM 0 H PHE A 3 2.702 -4.152 -2.038 1.00 44.30 H new ATOM 0 HA PHE A 3 3.240 -5.955 0.201 1.00 71.13 H new ATOM 0 HB2 PHE A 3 1.134 -4.673 0.752 1.00 43.22 H new ATOM 0 HB3 PHE A 3 0.420 -5.284 -0.728 1.00 43.22 H new ATOM 0 HD1 PHE A 3 1.672 -6.234 2.612 1.00 11.11 H new ATOM 0 HD2 PHE A 3 -0.377 -7.547 -0.884 1.00 31.43 H new ATOM 0 HE1 PHE A 3 0.952 -8.261 3.798 1.00 34.31 H new ATOM 0 HE2 PHE A 3 -1.100 -9.576 0.299 1.00 2.44 H new ATOM 0 HZ PHE A 3 -0.440 -9.934 2.645 1.00 32.24 H new ATOM 60 N ILE A 4 3.279 -7.750 -1.485 1.00 62.53 N ATOM 61 CA ILE A 4 3.352 -8.822 -2.471 1.00 11.12 C ATOM 62 C ILE A 4 3.280 -10.190 -1.802 1.00 34.24 C ATOM 63 O ILE A 4 3.615 -10.338 -0.626 1.00 40.42 O ATOM 64 CB ILE A 4 4.647 -8.737 -3.301 1.00 14.44 C ATOM 65 CG1 ILE A 4 4.864 -7.307 -3.801 1.00 60.23 C ATOM 66 CG2 ILE A 4 4.592 -9.710 -4.468 1.00 63.15 C ATOM 67 CD1 ILE A 4 3.804 -6.840 -4.774 1.00 42.12 C ATOM 0 H ILE A 4 3.855 -7.899 -0.656 1.00 62.53 H new ATOM 0 HA ILE A 4 2.496 -8.699 -3.134 1.00 11.12 H new ATOM 0 HB ILE A 4 5.489 -9.011 -2.665 1.00 14.44 H new ATOM 0 HG12 ILE A 4 4.884 -6.631 -2.946 1.00 60.23 H new ATOM 0 HG13 ILE A 4 5.840 -7.243 -4.281 1.00 60.23 H new ATOM 0 HG21 ILE A 4 5.514 -9.638 -5.045 1.00 63.15 H new ATOM 0 HG22 ILE A 4 4.479 -10.726 -4.090 1.00 63.15 H new ATOM 0 HG23 ILE A 4 3.744 -9.464 -5.107 1.00 63.15 H new ATOM 0 HD11 ILE A 4 4.021 -5.819 -5.086 1.00 42.12 H new ATOM 0 HD12 ILE A 4 3.798 -7.493 -5.647 1.00 42.12 H new ATOM 0 HD13 ILE A 4 2.827 -6.871 -4.291 1.00 42.12 H new ATOM 79 N LYS A 5 2.841 -11.190 -2.558 1.00 70.35 N ATOM 80 CA LYS A 5 2.727 -12.549 -2.041 1.00 50.23 C ATOM 81 C LYS A 5 4.103 -13.187 -1.881 1.00 70.32 C ATOM 82 O LYS A 5 5.113 -12.622 -2.302 1.00 72.41 O ATOM 83 CB LYS A 5 1.863 -13.401 -2.974 1.00 1.21 C ATOM 84 CG LYS A 5 2.573 -13.814 -4.252 1.00 34.03 C ATOM 85 CD LYS A 5 2.513 -12.718 -5.302 1.00 45.50 C ATOM 86 CE LYS A 5 2.293 -13.290 -6.694 1.00 31.12 C ATOM 87 NZ LYS A 5 0.859 -13.242 -7.093 1.00 11.25 N ATOM 0 H LYS A 5 2.558 -11.085 -3.532 1.00 70.35 H new ATOM 0 HA LYS A 5 2.253 -12.500 -1.061 1.00 50.23 H new ATOM 0 HB2 LYS A 5 1.541 -14.296 -2.441 1.00 1.21 H new ATOM 0 HB3 LYS A 5 0.963 -12.843 -3.232 1.00 1.21 H new ATOM 0 HG2 LYS A 5 3.614 -14.051 -4.031 1.00 34.03 H new ATOM 0 HG3 LYS A 5 2.116 -14.722 -4.646 1.00 34.03 H new ATOM 0 HD2 LYS A 5 1.707 -12.025 -5.061 1.00 45.50 H new ATOM 0 HD3 LYS A 5 3.440 -12.146 -5.285 1.00 45.50 H new ATOM 0 HE2 LYS A 5 2.889 -12.731 -7.415 1.00 31.12 H new ATOM 0 HE3 LYS A 5 2.644 -14.322 -6.722 1.00 31.12 H new ATOM 0 HZ1 LYS A 5 0.751 -13.641 -8.047 1.00 11.25 H new ATOM 0 HZ2 LYS A 5 0.293 -13.797 -6.420 1.00 11.25 H new ATOM 0 HZ3 LYS A 5 0.531 -12.255 -7.091 1.00 11.25 H new ATOM 101 N TYR A 6 4.135 -14.367 -1.272 1.00 62.32 N ATOM 102 CA TYR A 6 5.388 -15.082 -1.056 1.00 54.02 C ATOM 103 C TYR A 6 5.828 -15.806 -2.325 1.00 52.30 C ATOM 104 O TYR A 6 4.999 -16.263 -3.113 1.00 34.44 O ATOM 105 CB TYR A 6 5.236 -16.084 0.089 1.00 22.15 C ATOM 106 CG TYR A 6 4.936 -15.438 1.423 1.00 34.22 C ATOM 107 CD1 TYR A 6 5.902 -14.697 2.092 1.00 31.43 C ATOM 108 CD2 TYR A 6 3.685 -15.568 2.014 1.00 75.23 C ATOM 109 CE1 TYR A 6 5.632 -14.106 3.311 1.00 33.42 C ATOM 110 CE2 TYR A 6 3.405 -14.979 3.232 1.00 70.42 C ATOM 111 CZ TYR A 6 4.382 -14.250 3.877 1.00 51.02 C ATOM 112 OH TYR A 6 4.108 -13.662 5.090 1.00 3.42 O ATOM 0 H TYR A 6 3.308 -14.849 -0.919 1.00 62.32 H new ATOM 0 HA TYR A 6 6.153 -14.352 -0.792 1.00 54.02 H new ATOM 0 HB2 TYR A 6 4.436 -16.783 -0.155 1.00 22.15 H new ATOM 0 HB3 TYR A 6 6.153 -16.667 0.175 1.00 22.15 H new ATOM 0 HD1 TYR A 6 6.881 -14.581 1.651 1.00 31.43 H new ATOM 0 HD2 TYR A 6 2.918 -16.140 1.512 1.00 75.23 H new ATOM 0 HE1 TYR A 6 6.395 -13.534 3.818 1.00 33.42 H new ATOM 0 HE2 TYR A 6 2.427 -15.089 3.676 1.00 70.42 H new ATOM 0 HH TYR A 6 3.183 -13.859 5.347 1.00 3.42 H new ATOM 122 N LEU A 7 7.139 -15.906 -2.516 1.00 55.03 N ATOM 123 CA LEU A 7 7.692 -16.575 -3.689 1.00 13.21 C ATOM 124 C LEU A 7 8.090 -18.010 -3.360 1.00 73.01 C ATOM 125 O LEU A 7 9.268 -18.364 -3.406 1.00 33.12 O ATOM 126 CB LEU A 7 8.904 -15.805 -4.215 1.00 3.11 C ATOM 127 CG LEU A 7 8.790 -14.280 -4.198 1.00 63.21 C ATOM 128 CD1 LEU A 7 10.132 -13.641 -4.522 1.00 12.04 C ATOM 129 CD2 LEU A 7 7.725 -13.814 -5.180 1.00 31.24 C ATOM 0 H LEU A 7 7.839 -15.533 -1.874 1.00 55.03 H new ATOM 0 HA LEU A 7 6.922 -16.599 -4.460 1.00 13.21 H new ATOM 0 HB2 LEU A 7 9.775 -16.091 -3.625 1.00 3.11 H new ATOM 0 HB3 LEU A 7 9.095 -16.124 -5.240 1.00 3.11 H new ATOM 0 HG LEU A 7 8.494 -13.968 -3.196 1.00 63.21 H new ATOM 0 HD11 LEU A 7 10.032 -12.556 -4.505 1.00 12.04 H new ATOM 0 HD12 LEU A 7 10.870 -13.949 -3.781 1.00 12.04 H new ATOM 0 HD13 LEU A 7 10.457 -13.960 -5.512 1.00 12.04 H new ATOM 0 HD21 LEU A 7 7.658 -12.726 -5.155 1.00 31.24 H new ATOM 0 HD22 LEU A 7 7.991 -14.138 -6.186 1.00 31.24 H new ATOM 0 HD23 LEU A 7 6.762 -14.244 -4.904 1.00 31.24 H new ATOM 141 N SER A 8 7.099 -18.833 -3.031 1.00 0.34 N ATOM 142 CA SER A 8 7.346 -20.230 -2.693 1.00 12.44 C ATOM 143 C SER A 8 6.169 -21.106 -3.112 1.00 4.02 C ATOM 144 O SER A 8 5.025 -20.653 -3.153 1.00 41.31 O ATOM 145 CB SER A 8 7.596 -20.376 -1.190 1.00 71.34 C ATOM 146 OG SER A 8 6.386 -20.619 -0.493 1.00 63.44 O ATOM 0 H SER A 8 6.118 -18.557 -2.991 1.00 0.34 H new ATOM 0 HA SER A 8 8.232 -20.559 -3.235 1.00 12.44 H new ATOM 0 HB2 SER A 8 8.293 -21.195 -1.012 1.00 71.34 H new ATOM 0 HB3 SER A 8 8.065 -19.470 -0.806 1.00 71.34 H new ATOM 0 HG SER A 8 6.407 -20.156 0.370 1.00 63.44 H new ATOM 247 N MET A 15 10.312 -22.195 4.185 1.00 51.34 N ATOM 248 CA MET A 15 10.963 -21.429 3.128 1.00 2.02 C ATOM 249 C MET A 15 9.961 -20.530 2.411 1.00 12.03 C ATOM 250 O MET A 15 9.050 -21.012 1.739 1.00 23.55 O ATOM 251 CB MET A 15 11.631 -22.371 2.124 1.00 52.51 C ATOM 252 CG MET A 15 13.122 -22.124 1.958 1.00 35.21 C ATOM 253 SD MET A 15 14.122 -23.165 3.038 1.00 31.31 S ATOM 254 CE MET A 15 15.693 -23.134 2.179 1.00 40.44 C ATOM 0 HA MET A 15 11.725 -20.799 3.587 1.00 2.02 H new ATOM 0 HB2 MET A 15 11.475 -23.401 2.445 1.00 52.51 H new ATOM 0 HB3 MET A 15 11.143 -22.262 1.156 1.00 52.51 H new ATOM 0 HG2 MET A 15 13.403 -22.307 0.921 1.00 35.21 H new ATOM 0 HG3 MET A 15 13.338 -21.076 2.167 1.00 35.21 H new ATOM 0 HE1 MET A 15 16.419 -23.735 2.726 1.00 40.44 H new ATOM 0 HE2 MET A 15 15.567 -23.541 1.176 1.00 40.44 H new ATOM 0 HE3 MET A 15 16.050 -22.107 2.111 1.00 40.44 H new ATOM 264 N ASN A 16 10.135 -19.221 2.560 1.00 41.33 N ATOM 265 CA ASN A 16 9.245 -18.255 1.927 1.00 53.43 C ATOM 266 C ASN A 16 9.966 -16.934 1.675 1.00 71.05 C ATOM 267 O ASN A 16 10.867 -16.555 2.423 1.00 45.13 O ATOM 268 CB ASN A 16 8.012 -18.017 2.801 1.00 1.53 C ATOM 269 CG ASN A 16 7.156 -19.260 2.945 1.00 60.02 C ATOM 270 OD1 ASN A 16 6.139 -19.379 2.099 1.00 44.50 O flip ATOM 271 ND2 ASN A 16 7.406 -20.104 3.806 1.00 63.11 N flip ATOM 0 H ASN A 16 10.884 -18.805 3.113 1.00 41.33 H new ATOM 0 HA ASN A 16 8.929 -18.665 0.968 1.00 53.43 H new ATOM 0 HB2 ASN A 16 8.329 -17.682 3.788 1.00 1.53 H new ATOM 0 HB3 ASN A 16 7.413 -17.215 2.369 1.00 1.53 H new ATOM 0 HD21 ASN A 16 8.198 -19.972 4.435 1.00 63.11 H new ATOM 0 HD22 ASN A 16 6.821 -20.935 3.890 1.00 63.11 H new ATOM 278 N ILE A 17 9.562 -16.238 0.617 1.00 61.41 N ATOM 279 CA ILE A 17 10.168 -14.960 0.267 1.00 4.34 C ATOM 280 C ILE A 17 9.111 -13.870 0.125 1.00 32.51 C ATOM 281 O ILE A 17 8.326 -13.873 -0.823 1.00 3.11 O ATOM 282 CB ILE A 17 10.969 -15.056 -1.044 1.00 64.45 C ATOM 283 CG1 ILE A 17 12.169 -15.990 -0.868 1.00 13.03 C ATOM 284 CG2 ILE A 17 11.427 -13.675 -1.488 1.00 63.24 C ATOM 285 CD1 ILE A 17 12.767 -16.460 -2.175 1.00 52.53 C ATOM 0 H ILE A 17 8.818 -16.538 -0.012 1.00 61.41 H new ATOM 0 HA ILE A 17 10.847 -14.701 1.079 1.00 4.34 H new ATOM 0 HB ILE A 17 10.322 -15.469 -1.818 1.00 64.45 H new ATOM 0 HG12 ILE A 17 12.937 -15.476 -0.291 1.00 13.03 H new ATOM 0 HG13 ILE A 17 11.861 -16.858 -0.286 1.00 13.03 H new ATOM 0 HG21 ILE A 17 11.992 -13.760 -2.416 1.00 63.24 H new ATOM 0 HG22 ILE A 17 10.558 -13.038 -1.649 1.00 63.24 H new ATOM 0 HG23 ILE A 17 12.060 -13.236 -0.717 1.00 63.24 H new ATOM 0 HD11 ILE A 17 13.612 -17.118 -1.973 1.00 52.53 H new ATOM 0 HD12 ILE A 17 12.013 -17.003 -2.746 1.00 52.53 H new ATOM 0 HD13 ILE A 17 13.107 -15.599 -2.750 1.00 52.53 H new ATOM 297 N ALA A 18 9.097 -12.939 1.073 1.00 21.22 N ATOM 298 CA ALA A 18 8.139 -11.841 1.052 1.00 73.23 C ATOM 299 C ALA A 18 8.653 -10.680 0.207 1.00 74.52 C ATOM 300 O ALA A 18 9.659 -10.055 0.540 1.00 65.24 O ATOM 301 CB ALA A 18 7.840 -11.374 2.468 1.00 11.44 C ATOM 0 H ALA A 18 9.739 -12.923 1.866 1.00 21.22 H new ATOM 0 HA ALA A 18 7.217 -12.205 0.599 1.00 73.23 H new ATOM 0 HB1 ALA A 18 7.123 -10.554 2.437 1.00 11.44 H new ATOM 0 HB2 ALA A 18 7.421 -12.200 3.043 1.00 11.44 H new ATOM 0 HB3 ALA A 18 8.761 -11.033 2.941 1.00 11.44 H new ATOM 307 N VAL A 19 7.955 -10.398 -0.889 1.00 11.42 N ATOM 308 CA VAL A 19 8.341 -9.311 -1.782 1.00 33.34 C ATOM 309 C VAL A 19 7.517 -8.057 -1.509 1.00 65.41 C ATOM 310 O VAL A 19 6.487 -8.112 -0.837 1.00 23.30 O ATOM 311 CB VAL A 19 8.172 -9.712 -3.259 1.00 75.30 C ATOM 312 CG1 VAL A 19 9.143 -8.939 -4.137 1.00 42.41 C ATOM 313 CG2 VAL A 19 8.364 -11.212 -3.429 1.00 42.42 C ATOM 0 H VAL A 19 7.120 -10.907 -1.180 1.00 11.42 H new ATOM 0 HA VAL A 19 9.393 -9.100 -1.589 1.00 33.34 H new ATOM 0 HB VAL A 19 7.159 -9.461 -3.572 1.00 75.30 H new ATOM 0 HG11 VAL A 19 9.009 -9.236 -5.177 1.00 42.41 H new ATOM 0 HG12 VAL A 19 8.952 -7.870 -4.037 1.00 42.41 H new ATOM 0 HG13 VAL A 19 10.165 -9.156 -3.827 1.00 42.41 H new ATOM 0 HG21 VAL A 19 8.241 -11.478 -4.479 1.00 42.42 H new ATOM 0 HG22 VAL A 19 9.365 -11.490 -3.099 1.00 42.42 H new ATOM 0 HG23 VAL A 19 7.624 -11.744 -2.831 1.00 42.42 H new ATOM 323 N TYR A 20 7.978 -6.928 -2.036 1.00 21.34 N ATOM 324 CA TYR A 20 7.285 -5.659 -1.848 1.00 24.12 C ATOM 325 C TYR A 20 7.483 -4.747 -3.055 1.00 12.13 C ATOM 326 O TYR A 20 8.601 -4.572 -3.537 1.00 2.52 O ATOM 327 CB TYR A 20 7.786 -4.963 -0.581 1.00 64.12 C ATOM 328 CG TYR A 20 7.800 -5.859 0.637 1.00 55.21 C ATOM 329 CD1 TYR A 20 6.624 -6.168 1.309 1.00 13.44 C ATOM 330 CD2 TYR A 20 8.988 -6.397 1.115 1.00 61.02 C ATOM 331 CE1 TYR A 20 6.631 -6.985 2.423 1.00 3.21 C ATOM 332 CE2 TYR A 20 9.005 -7.216 2.227 1.00 60.41 C ATOM 333 CZ TYR A 20 7.824 -7.507 2.878 1.00 42.11 C ATOM 334 OH TYR A 20 7.836 -8.323 3.986 1.00 12.51 O ATOM 0 H TYR A 20 8.828 -6.866 -2.596 1.00 21.34 H new ATOM 0 HA TYR A 20 6.220 -5.867 -1.743 1.00 24.12 H new ATOM 0 HB2 TYR A 20 8.794 -4.588 -0.757 1.00 64.12 H new ATOM 0 HB3 TYR A 20 7.155 -4.098 -0.378 1.00 64.12 H new ATOM 0 HD1 TYR A 20 5.688 -5.762 0.954 1.00 13.44 H new ATOM 0 HD2 TYR A 20 9.915 -6.171 0.608 1.00 61.02 H new ATOM 0 HE1 TYR A 20 5.708 -7.214 2.935 1.00 3.21 H new ATOM 0 HE2 TYR A 20 9.938 -7.626 2.585 1.00 60.41 H new ATOM 0 HH TYR A 20 8.755 -8.607 4.173 1.00 12.51 H new ATOM 344 N GLU A 21 6.387 -4.168 -3.537 1.00 22.44 N ATOM 345 CA GLU A 21 6.439 -3.274 -4.687 1.00 64.12 C ATOM 346 C GLU A 21 6.738 -1.843 -4.251 1.00 0.33 C ATOM 347 O GLU A 21 6.407 -1.441 -3.136 1.00 51.32 O ATOM 348 CB GLU A 21 5.117 -3.319 -5.456 1.00 64.14 C ATOM 349 CG GLU A 21 5.261 -2.988 -6.932 1.00 55.24 C ATOM 350 CD GLU A 21 4.012 -3.315 -7.728 1.00 35.25 C ATOM 351 OE1 GLU A 21 3.449 -4.411 -7.525 1.00 35.05 O ATOM 352 OE2 GLU A 21 3.597 -2.474 -8.553 1.00 22.41 O ATOM 0 H GLU A 21 5.453 -4.302 -3.149 1.00 22.44 H new ATOM 0 HA GLU A 21 7.243 -3.611 -5.341 1.00 64.12 H new ATOM 0 HB2 GLU A 21 4.682 -4.313 -5.356 1.00 64.14 H new ATOM 0 HB3 GLU A 21 4.418 -2.617 -5.001 1.00 64.14 H new ATOM 0 HG2 GLU A 21 5.490 -1.928 -7.042 1.00 55.24 H new ATOM 0 HG3 GLU A 21 6.105 -3.541 -7.344 1.00 55.24 H new ATOM 359 N ASN A 22 7.367 -1.079 -5.138 1.00 51.20 N ATOM 360 CA ASN A 22 7.712 0.308 -4.845 1.00 31.42 C ATOM 361 C ASN A 22 6.801 1.267 -5.604 1.00 51.24 C ATOM 362 O ASN A 22 7.219 1.903 -6.571 1.00 23.10 O ATOM 363 CB ASN A 22 9.173 0.579 -5.208 1.00 2.03 C ATOM 364 CG ASN A 22 9.551 2.037 -5.033 1.00 50.43 C ATOM 365 OD1 ASN A 22 9.865 2.729 -6.002 1.00 63.21 O ATOM 366 ND2 ASN A 22 9.522 2.512 -3.793 1.00 71.42 N ATOM 0 H ASN A 22 7.648 -1.397 -6.066 1.00 51.20 H new ATOM 0 HA ASN A 22 7.574 0.473 -3.777 1.00 31.42 H new ATOM 0 HB2 ASN A 22 9.820 -0.039 -4.585 1.00 2.03 H new ATOM 0 HB3 ASN A 22 9.349 0.282 -6.242 1.00 2.03 H new ATOM 0 HD21 ASN A 22 9.766 3.486 -3.614 1.00 71.42 H new ATOM 0 HD22 ASN A 22 9.256 1.903 -3.020 1.00 71.42 H new ATOM 373 N GLY A 23 5.552 1.367 -5.159 1.00 30.30 N ATOM 374 CA GLY A 23 4.601 2.251 -5.808 1.00 24.15 C ATOM 375 C GLY A 23 4.517 2.015 -7.303 1.00 11.15 C ATOM 376 O GLY A 23 4.433 0.873 -7.754 1.00 23.11 O ATOM 0 H GLY A 23 5.182 0.852 -4.361 1.00 30.30 H new ATOM 0 HA2 GLY A 23 3.616 2.108 -5.365 1.00 24.15 H new ATOM 0 HA3 GLY A 23 4.887 3.286 -5.622 1.00 24.15 H new ATOM 380 N SER A 24 4.537 3.098 -8.073 1.00 1.00 N ATOM 381 CA SER A 24 4.457 3.004 -9.526 1.00 14.11 C ATOM 382 C SER A 24 5.631 2.206 -10.085 1.00 12.24 C ATOM 383 O SER A 24 5.550 1.640 -11.175 1.00 34.22 O ATOM 384 CB SER A 24 4.433 4.402 -10.148 1.00 32.41 C ATOM 385 OG SER A 24 4.565 4.335 -11.557 1.00 64.12 O ATOM 0 H SER A 24 4.608 4.051 -7.715 1.00 1.00 H new ATOM 0 HA SER A 24 3.533 2.484 -9.781 1.00 14.11 H new ATOM 0 HB2 SER A 24 3.499 4.902 -9.890 1.00 32.41 H new ATOM 0 HB3 SER A 24 5.242 5.003 -9.732 1.00 32.41 H new ATOM 0 HG SER A 24 4.545 5.241 -11.931 1.00 64.12 H new ATOM 391 N LYS A 25 6.723 2.166 -9.329 1.00 43.25 N ATOM 392 CA LYS A 25 7.916 1.438 -9.746 1.00 33.40 C ATOM 393 C LYS A 25 7.901 0.013 -9.201 1.00 0.13 C ATOM 394 O LYS A 25 7.381 -0.240 -8.113 1.00 44.33 O ATOM 395 CB LYS A 25 9.175 2.165 -9.269 1.00 61.43 C ATOM 396 CG LYS A 25 9.283 3.592 -9.778 1.00 62.42 C ATOM 397 CD LYS A 25 10.045 3.659 -11.091 1.00 52.23 C ATOM 398 CE LYS A 25 11.131 4.723 -11.052 1.00 11.25 C ATOM 399 NZ LYS A 25 11.831 4.851 -12.360 1.00 33.32 N ATOM 0 H LYS A 25 6.807 2.629 -8.424 1.00 43.25 H new ATOM 0 HA LYS A 25 7.922 1.392 -10.835 1.00 33.40 H new ATOM 0 HB2 LYS A 25 9.188 2.175 -8.179 1.00 61.43 H new ATOM 0 HB3 LYS A 25 10.052 1.605 -9.593 1.00 61.43 H new ATOM 0 HG2 LYS A 25 8.284 4.007 -9.914 1.00 62.42 H new ATOM 0 HG3 LYS A 25 9.786 4.208 -9.033 1.00 62.42 H new ATOM 0 HD2 LYS A 25 10.493 2.688 -11.303 1.00 52.23 H new ATOM 0 HD3 LYS A 25 9.352 3.875 -11.904 1.00 52.23 H new ATOM 0 HE2 LYS A 25 10.690 5.682 -10.781 1.00 11.25 H new ATOM 0 HE3 LYS A 25 11.855 4.475 -10.276 1.00 11.25 H new ATOM 0 HZ1 LYS A 25 12.563 5.586 -12.291 1.00 33.32 H new ATOM 0 HZ2 LYS A 25 12.274 3.943 -12.607 1.00 33.32 H new ATOM 0 HZ3 LYS A 25 11.145 5.113 -13.097 1.00 33.32 H new ATOM 413 N ILE A 26 8.475 -0.913 -9.962 1.00 2.45 N ATOM 414 CA ILE A 26 8.530 -2.311 -9.552 1.00 52.44 C ATOM 415 C ILE A 26 9.738 -2.575 -8.660 1.00 71.54 C ATOM 416 O ILE A 26 10.877 -2.310 -9.044 1.00 3.21 O ATOM 417 CB ILE A 26 8.589 -3.252 -10.770 1.00 52.42 C ATOM 418 CG1 ILE A 26 7.362 -3.046 -11.661 1.00 40.21 C ATOM 419 CG2 ILE A 26 8.683 -4.700 -10.316 1.00 21.52 C ATOM 420 CD1 ILE A 26 6.074 -3.537 -11.039 1.00 11.25 C ATOM 0 H ILE A 26 8.908 -0.721 -10.865 1.00 2.45 H new ATOM 0 HA ILE A 26 7.617 -2.512 -8.991 1.00 52.44 H new ATOM 0 HB ILE A 26 9.480 -3.015 -11.351 1.00 52.42 H new ATOM 0 HG12 ILE A 26 7.264 -1.985 -11.890 1.00 40.21 H new ATOM 0 HG13 ILE A 26 7.519 -3.563 -12.607 1.00 40.21 H new ATOM 0 HG21 ILE A 26 8.724 -5.353 -11.188 1.00 21.52 H new ATOM 0 HG22 ILE A 26 9.584 -4.836 -9.718 1.00 21.52 H new ATOM 0 HG23 ILE A 26 7.808 -4.951 -9.716 1.00 21.52 H new ATOM 0 HD11 ILE A 26 5.247 -3.359 -11.726 1.00 11.25 H new ATOM 0 HD12 ILE A 26 6.152 -4.605 -10.835 1.00 11.25 H new ATOM 0 HD13 ILE A 26 5.893 -3.002 -10.107 1.00 11.25 H new ATOM 432 N LYS A 27 9.482 -3.103 -7.468 1.00 53.20 N ATOM 433 CA LYS A 27 10.547 -3.408 -6.521 1.00 4.32 C ATOM 434 C LYS A 27 10.484 -4.867 -6.082 1.00 21.21 C ATOM 435 O LYS A 27 9.404 -5.409 -5.850 1.00 12.12 O ATOM 436 CB LYS A 27 10.449 -2.492 -5.299 1.00 11.14 C ATOM 437 CG LYS A 27 11.371 -2.895 -4.161 1.00 11.22 C ATOM 438 CD LYS A 27 11.828 -1.688 -3.360 1.00 3.54 C ATOM 439 CE LYS A 27 12.933 -0.928 -4.078 1.00 24.23 C ATOM 440 NZ LYS A 27 13.343 0.293 -3.330 1.00 63.04 N ATOM 0 H LYS A 27 8.545 -3.329 -7.135 1.00 53.20 H new ATOM 0 HA LYS A 27 11.501 -3.238 -7.019 1.00 4.32 H new ATOM 0 HB2 LYS A 27 10.683 -1.471 -5.601 1.00 11.14 H new ATOM 0 HB3 LYS A 27 9.420 -2.490 -4.939 1.00 11.14 H new ATOM 0 HG2 LYS A 27 10.855 -3.595 -3.504 1.00 11.22 H new ATOM 0 HG3 LYS A 27 12.240 -3.416 -4.563 1.00 11.22 H new ATOM 0 HD2 LYS A 27 10.982 -1.024 -3.186 1.00 3.54 H new ATOM 0 HD3 LYS A 27 12.184 -2.013 -2.382 1.00 3.54 H new ATOM 0 HE2 LYS A 27 13.796 -1.580 -4.209 1.00 24.23 H new ATOM 0 HE3 LYS A 27 12.592 -0.646 -5.074 1.00 24.23 H new ATOM 0 HZ1 LYS A 27 14.098 0.783 -3.852 1.00 63.04 H new ATOM 0 HZ2 LYS A 27 12.526 0.928 -3.226 1.00 63.04 H new ATOM 0 HZ3 LYS A 27 13.693 0.022 -2.389 1.00 63.04 H new ATOM 454 N ALA A 28 11.649 -5.497 -5.969 1.00 73.51 N ATOM 455 CA ALA A 28 11.725 -6.893 -5.555 1.00 1.25 C ATOM 456 C ALA A 28 12.660 -7.061 -4.361 1.00 52.45 C ATOM 457 O ALA A 28 13.881 -7.012 -4.506 1.00 64.14 O ATOM 458 CB ALA A 28 12.185 -7.764 -6.714 1.00 50.54 C ATOM 0 H ALA A 28 12.553 -5.063 -6.158 1.00 73.51 H new ATOM 0 HA ALA A 28 10.728 -7.210 -5.251 1.00 1.25 H new ATOM 0 HB1 ALA A 28 12.237 -8.803 -6.390 1.00 50.54 H new ATOM 0 HB2 ALA A 28 11.477 -7.676 -7.538 1.00 50.54 H new ATOM 0 HB3 ALA A 28 13.171 -7.438 -7.046 1.00 50.54 H new ATOM 464 N ARG A 29 12.078 -7.257 -3.183 1.00 20.41 N ATOM 465 CA ARG A 29 12.860 -7.430 -1.964 1.00 74.44 C ATOM 466 C ARG A 29 12.683 -8.837 -1.400 1.00 72.01 C ATOM 467 O ARG A 29 11.629 -9.172 -0.858 1.00 63.14 O ATOM 468 CB ARG A 29 12.448 -6.394 -0.917 1.00 53.25 C ATOM 469 CG ARG A 29 13.245 -6.482 0.373 1.00 4.33 C ATOM 470 CD ARG A 29 12.449 -5.956 1.557 1.00 32.44 C ATOM 471 NE ARG A 29 11.978 -4.591 1.338 1.00 25.22 N ATOM 472 CZ ARG A 29 12.768 -3.525 1.390 1.00 44.41 C ATOM 473 NH1 ARG A 29 14.061 -3.665 1.652 1.00 53.45 N ATOM 474 NH2 ARG A 29 12.266 -2.315 1.179 1.00 1.41 N ATOM 0 H ARG A 29 11.068 -7.300 -3.046 1.00 20.41 H new ATOM 0 HA ARG A 29 13.911 -7.286 -2.213 1.00 74.44 H new ATOM 0 HB2 ARG A 29 12.566 -5.396 -1.340 1.00 53.25 H new ATOM 0 HB3 ARG A 29 11.390 -6.521 -0.690 1.00 53.25 H new ATOM 0 HG2 ARG A 29 13.530 -7.518 0.556 1.00 4.33 H new ATOM 0 HG3 ARG A 29 14.168 -5.911 0.271 1.00 4.33 H new ATOM 0 HD2 ARG A 29 11.595 -6.609 1.739 1.00 32.44 H new ATOM 0 HD3 ARG A 29 13.069 -5.986 2.453 1.00 32.44 H new ATOM 0 HE ARG A 29 10.989 -4.449 1.134 1.00 25.22 H new ATOM 0 HH11 ARG A 29 14.451 -4.593 1.814 1.00 53.45 H new ATOM 0 HH12 ARG A 29 14.665 -2.844 1.691 1.00 53.45 H new ATOM 0 HH21 ARG A 29 11.273 -2.203 0.977 1.00 1.41 H new ATOM 0 HH22 ARG A 29 12.874 -1.497 1.219 1.00 1.41 H new ATOM 488 N VAL A 30 13.721 -9.657 -1.532 1.00 11.34 N ATOM 489 CA VAL A 30 13.681 -11.027 -1.035 1.00 11.13 C ATOM 490 C VAL A 30 13.866 -11.068 0.478 1.00 34.40 C ATOM 491 O VAL A 30 14.947 -10.779 0.989 1.00 52.41 O ATOM 492 CB VAL A 30 14.766 -11.896 -1.697 1.00 61.24 C ATOM 493 CG1 VAL A 30 15.015 -13.155 -0.880 1.00 51.23 C ATOM 494 CG2 VAL A 30 14.370 -12.246 -3.124 1.00 22.22 C ATOM 0 H VAL A 30 14.600 -9.396 -1.979 1.00 11.34 H new ATOM 0 HA VAL A 30 12.700 -11.428 -1.290 1.00 11.13 H new ATOM 0 HB VAL A 30 15.694 -11.325 -1.731 1.00 61.24 H new ATOM 0 HG11 VAL A 30 15.785 -13.756 -1.364 1.00 51.23 H new ATOM 0 HG12 VAL A 30 15.346 -12.879 0.121 1.00 51.23 H new ATOM 0 HG13 VAL A 30 14.093 -13.733 -0.812 1.00 51.23 H new ATOM 0 HG21 VAL A 30 15.148 -12.860 -3.577 1.00 22.22 H new ATOM 0 HG22 VAL A 30 13.430 -12.798 -3.116 1.00 22.22 H new ATOM 0 HG23 VAL A 30 14.248 -11.330 -3.703 1.00 22.22 H new ATOM 504 N GLU A 31 12.802 -11.431 1.189 1.00 64.42 N ATOM 505 CA GLU A 31 12.848 -11.510 2.644 1.00 30.41 C ATOM 506 C GLU A 31 12.516 -12.921 3.123 1.00 1.21 C ATOM 507 O GLU A 31 11.416 -13.422 2.896 1.00 52.21 O ATOM 508 CB GLU A 31 11.872 -10.507 3.262 1.00 30.24 C ATOM 509 CG GLU A 31 11.682 -10.686 4.759 1.00 4.13 C ATOM 510 CD GLU A 31 11.203 -9.419 5.442 1.00 63.40 C ATOM 511 OE1 GLU A 31 11.134 -8.372 4.766 1.00 52.33 O ATOM 512 OE2 GLU A 31 10.898 -9.476 6.651 1.00 4.45 O ATOM 0 H GLU A 31 11.899 -11.675 0.781 1.00 64.42 H new ATOM 0 HA GLU A 31 13.861 -11.265 2.964 1.00 30.41 H new ATOM 0 HB2 GLU A 31 12.231 -9.496 3.068 1.00 30.24 H new ATOM 0 HB3 GLU A 31 10.905 -10.602 2.768 1.00 30.24 H new ATOM 0 HG2 GLU A 31 10.962 -11.485 4.937 1.00 4.13 H new ATOM 0 HG3 GLU A 31 12.625 -11.001 5.206 1.00 4.13 H new ATOM 519 N ASN A 32 13.477 -13.555 3.787 1.00 70.42 N ATOM 520 CA ASN A 32 13.288 -14.908 4.297 1.00 20.51 C ATOM 521 C ASN A 32 12.537 -14.889 5.625 1.00 22.11 C ATOM 522 O ASN A 32 12.396 -13.841 6.256 1.00 60.23 O ATOM 523 CB ASN A 32 14.640 -15.603 4.473 1.00 71.02 C ATOM 524 CG ASN A 32 14.521 -17.115 4.447 1.00 40.43 C ATOM 525 OD1 ASN A 32 13.428 -17.660 4.292 1.00 1.14 O ATOM 526 ND2 ASN A 32 15.649 -17.799 4.598 1.00 32.31 N ATOM 0 H ASN A 32 14.394 -13.154 3.984 1.00 70.42 H new ATOM 0 HA ASN A 32 12.693 -15.463 3.571 1.00 20.51 H new ATOM 0 HB2 ASN A 32 15.317 -15.281 3.682 1.00 71.02 H new ATOM 0 HB3 ASN A 32 15.085 -15.293 5.419 1.00 71.02 H new ATOM 0 HD21 ASN A 32 15.632 -18.819 4.588 1.00 32.31 H new ATOM 0 HD22 ASN A 32 16.532 -17.305 4.724 1.00 32.31 H new ATOM 533 N VAL A 33 12.058 -16.056 6.045 1.00 54.33 N ATOM 534 CA VAL A 33 11.323 -16.174 7.298 1.00 13.24 C ATOM 535 C VAL A 33 12.002 -17.159 8.243 1.00 3.30 C ATOM 536 O VAL A 33 12.080 -16.926 9.449 1.00 4.43 O ATOM 537 CB VAL A 33 9.871 -16.629 7.057 1.00 1.14 C ATOM 538 CG1 VAL A 33 9.842 -17.915 6.246 1.00 63.20 C ATOM 539 CG2 VAL A 33 9.142 -16.807 8.381 1.00 64.23 C ATOM 0 H VAL A 33 12.166 -16.933 5.535 1.00 54.33 H new ATOM 0 HA VAL A 33 11.315 -15.184 7.754 1.00 13.24 H new ATOM 0 HB VAL A 33 9.356 -15.856 6.486 1.00 1.14 H new ATOM 0 HG11 VAL A 33 8.808 -18.221 6.086 1.00 63.20 H new ATOM 0 HG12 VAL A 33 10.325 -17.749 5.283 1.00 63.20 H new ATOM 0 HG13 VAL A 33 10.372 -18.698 6.787 1.00 63.20 H new ATOM 0 HG21 VAL A 33 8.118 -17.129 8.192 1.00 64.23 H new ATOM 0 HG22 VAL A 33 9.654 -17.560 8.980 1.00 64.23 H new ATOM 0 HG23 VAL A 33 9.131 -15.860 8.921 1.00 64.23 H new ATOM 549 N VAL A 34 12.494 -18.261 7.686 1.00 32.23 N ATOM 550 CA VAL A 34 13.169 -19.282 8.479 1.00 60.14 C ATOM 551 C VAL A 34 14.360 -18.697 9.229 1.00 43.13 C ATOM 552 O VAL A 34 14.693 -19.139 10.327 1.00 21.52 O ATOM 553 CB VAL A 34 13.654 -20.448 7.596 1.00 1.42 C ATOM 554 CG1 VAL A 34 14.940 -20.073 6.875 1.00 0.45 C ATOM 555 CG2 VAL A 34 13.849 -21.703 8.433 1.00 73.34 C ATOM 0 H VAL A 34 12.438 -18.470 6.689 1.00 32.23 H new ATOM 0 HA VAL A 34 12.441 -19.658 9.197 1.00 60.14 H new ATOM 0 HB VAL A 34 12.892 -20.654 6.845 1.00 1.42 H new ATOM 0 HG11 VAL A 34 15.267 -20.909 6.256 1.00 0.45 H new ATOM 0 HG12 VAL A 34 14.763 -19.202 6.244 1.00 0.45 H new ATOM 0 HG13 VAL A 34 15.713 -19.839 7.607 1.00 0.45 H new ATOM 0 HG21 VAL A 34 14.192 -22.517 7.794 1.00 73.34 H new ATOM 0 HG22 VAL A 34 14.592 -21.512 9.207 1.00 73.34 H new ATOM 0 HG23 VAL A 34 12.903 -21.981 8.898 1.00 73.34 H new ATOM 565 N ASN A 35 14.999 -17.698 8.627 1.00 32.42 N ATOM 566 CA ASN A 35 16.154 -17.052 9.239 1.00 42.44 C ATOM 567 C ASN A 35 15.727 -15.843 10.065 1.00 13.33 C ATOM 568 O ASN A 35 16.468 -15.373 10.927 1.00 25.11 O ATOM 569 CB ASN A 35 17.152 -16.620 8.162 1.00 22.31 C ATOM 570 CG ASN A 35 18.323 -17.577 8.043 1.00 41.34 C ATOM 571 OD1 ASN A 35 18.088 -18.725 7.418 1.00 31.45 O flip ATOM 572 ND2 ASN A 35 19.426 -17.286 8.506 1.00 53.42 N flip ATOM 0 H ASN A 35 14.736 -17.319 7.717 1.00 32.42 H new ATOM 0 HA ASN A 35 16.633 -17.772 9.902 1.00 42.44 H new ATOM 0 HB2 ASN A 35 16.641 -16.554 7.202 1.00 22.31 H new ATOM 0 HB3 ASN A 35 17.524 -15.622 8.394 1.00 22.31 H new ATOM 0 HD21 ASN A 35 19.561 -16.392 8.979 1.00 53.42 H new ATOM 0 HD22 ASN A 35 20.205 -17.939 8.417 1.00 53.42 H new ATOM 579 N GLY A 36 14.524 -15.344 9.796 1.00 11.21 N ATOM 580 CA GLY A 36 14.018 -14.195 10.523 1.00 12.55 C ATOM 581 C GLY A 36 14.762 -12.919 10.183 1.00 44.12 C ATOM 582 O GLY A 36 14.592 -11.895 10.845 1.00 34.22 O ATOM 0 H GLY A 36 13.891 -15.715 9.087 1.00 11.21 H new ATOM 0 HA2 GLY A 36 12.959 -14.065 10.299 1.00 12.55 H new ATOM 0 HA3 GLY A 36 14.097 -14.383 11.594 1.00 12.55 H new ATOM 586 N LYS A 37 15.593 -12.979 9.147 1.00 32.03 N ATOM 587 CA LYS A 37 16.367 -11.820 8.719 1.00 65.51 C ATOM 588 C LYS A 37 16.303 -11.653 7.204 1.00 11.42 C ATOM 589 O LYS A 37 16.881 -12.443 6.457 1.00 14.45 O ATOM 590 CB LYS A 37 17.824 -11.962 9.165 1.00 4.03 C ATOM 591 CG LYS A 37 18.752 -10.927 8.552 1.00 72.44 C ATOM 592 CD LYS A 37 18.275 -9.513 8.835 1.00 55.12 C ATOM 593 CE LYS A 37 18.271 -9.214 10.326 1.00 3.12 C ATOM 594 NZ LYS A 37 18.779 -7.845 10.618 1.00 10.24 N ATOM 0 H LYS A 37 15.747 -13.818 8.589 1.00 32.03 H new ATOM 0 HA LYS A 37 15.935 -10.934 9.184 1.00 65.51 H new ATOM 0 HB2 LYS A 37 17.872 -11.883 10.251 1.00 4.03 H new ATOM 0 HB3 LYS A 37 18.180 -12.958 8.902 1.00 4.03 H new ATOM 0 HG2 LYS A 37 19.758 -11.059 8.949 1.00 72.44 H new ATOM 0 HG3 LYS A 37 18.812 -11.083 7.475 1.00 72.44 H new ATOM 0 HD2 LYS A 37 18.921 -8.801 8.322 1.00 55.12 H new ATOM 0 HD3 LYS A 37 17.271 -9.380 8.433 1.00 55.12 H new ATOM 0 HE2 LYS A 37 17.258 -9.316 10.714 1.00 3.12 H new ATOM 0 HE3 LYS A 37 18.887 -9.948 10.845 1.00 3.12 H new ATOM 0 HZ1 LYS A 37 18.761 -7.680 11.645 1.00 10.24 H new ATOM 0 HZ2 LYS A 37 19.755 -7.755 10.270 1.00 10.24 H new ATOM 0 HZ3 LYS A 37 18.177 -7.143 10.143 1.00 10.24 H new ATOM 608 N SER A 38 15.598 -10.618 6.757 1.00 33.34 N ATOM 609 CA SER A 38 15.456 -10.348 5.331 1.00 22.44 C ATOM 610 C SER A 38 16.815 -10.078 4.692 1.00 12.12 C ATOM 611 O SER A 38 17.490 -9.105 5.030 1.00 60.43 O ATOM 612 CB SER A 38 14.527 -9.154 5.107 1.00 41.14 C ATOM 613 OG SER A 38 15.198 -7.932 5.360 1.00 52.51 O ATOM 0 H SER A 38 15.116 -9.953 7.362 1.00 33.34 H new ATOM 0 HA SER A 38 15.022 -11.230 4.860 1.00 22.44 H new ATOM 0 HB2 SER A 38 14.157 -9.164 4.082 1.00 41.14 H new ATOM 0 HB3 SER A 38 13.658 -9.238 5.760 1.00 41.14 H new ATOM 0 HG SER A 38 16.126 -8.115 5.617 1.00 52.51 H new ATOM 619 N VAL A 39 17.210 -10.946 3.766 1.00 33.13 N ATOM 620 CA VAL A 39 18.487 -10.802 3.078 1.00 12.20 C ATOM 621 C VAL A 39 18.287 -10.651 1.574 1.00 33.42 C ATOM 622 O VAL A 39 18.706 -11.504 0.793 1.00 23.31 O ATOM 623 CB VAL A 39 19.407 -12.008 3.344 1.00 4.43 C ATOM 624 CG1 VAL A 39 20.156 -11.828 4.656 1.00 64.40 C ATOM 625 CG2 VAL A 39 18.604 -13.299 3.352 1.00 71.32 C ATOM 0 H VAL A 39 16.664 -11.757 3.475 1.00 33.13 H new ATOM 0 HA VAL A 39 18.958 -9.901 3.471 1.00 12.20 H new ATOM 0 HB VAL A 39 20.140 -12.069 2.540 1.00 4.43 H new ATOM 0 HG11 VAL A 39 20.801 -12.690 4.828 1.00 64.40 H new ATOM 0 HG12 VAL A 39 20.763 -10.924 4.607 1.00 64.40 H new ATOM 0 HG13 VAL A 39 19.441 -11.741 5.474 1.00 64.40 H new ATOM 0 HG21 VAL A 39 19.270 -14.141 3.541 1.00 71.32 H new ATOM 0 HG22 VAL A 39 17.847 -13.252 4.135 1.00 71.32 H new ATOM 0 HG23 VAL A 39 18.118 -13.431 2.385 1.00 71.32 H new ATOM 635 N GLY A 40 17.642 -9.559 1.175 1.00 63.25 N ATOM 636 CA GLY A 40 17.398 -9.316 -0.235 1.00 72.11 C ATOM 637 C GLY A 40 16.931 -7.900 -0.507 1.00 14.12 C ATOM 638 O GLY A 40 15.969 -7.429 0.100 1.00 24.14 O ATOM 0 H GLY A 40 17.284 -8.839 1.802 1.00 63.25 H new ATOM 0 HA2 GLY A 40 18.312 -9.508 -0.797 1.00 72.11 H new ATOM 0 HA3 GLY A 40 16.647 -10.019 -0.597 1.00 72.11 H new ATOM 642 N ALA A 41 17.613 -7.218 -1.421 1.00 23.41 N ATOM 643 CA ALA A 41 17.262 -5.848 -1.772 1.00 5.23 C ATOM 644 C ALA A 41 17.670 -5.527 -3.205 1.00 44.55 C ATOM 645 O ALA A 41 18.856 -5.391 -3.508 1.00 20.20 O ATOM 646 CB ALA A 41 17.915 -4.872 -0.804 1.00 0.20 C ATOM 0 H ALA A 41 18.412 -7.592 -1.932 1.00 23.41 H new ATOM 0 HA ALA A 41 16.179 -5.746 -1.699 1.00 5.23 H new ATOM 0 HB1 ALA A 41 17.645 -3.852 -1.078 1.00 0.20 H new ATOM 0 HB2 ALA A 41 17.571 -5.079 0.209 1.00 0.20 H new ATOM 0 HB3 ALA A 41 18.998 -4.985 -0.849 1.00 0.20 H new ATOM 652 N ARG A 42 16.681 -5.406 -4.084 1.00 72.45 N ATOM 653 CA ARG A 42 16.938 -5.103 -5.487 1.00 54.12 C ATOM 654 C ARG A 42 15.992 -4.016 -5.990 1.00 73.43 C ATOM 655 O ARG A 42 15.068 -3.609 -5.286 1.00 1.51 O ATOM 656 CB ARG A 42 16.783 -6.363 -6.340 1.00 63.42 C ATOM 657 CG ARG A 42 18.078 -7.139 -6.520 1.00 32.41 C ATOM 658 CD ARG A 42 17.923 -8.252 -7.544 1.00 75.44 C ATOM 659 NE ARG A 42 18.032 -7.755 -8.913 1.00 73.44 N ATOM 660 CZ ARG A 42 19.184 -7.427 -9.486 1.00 63.13 C ATOM 661 NH1 ARG A 42 20.320 -7.543 -8.812 1.00 62.13 N ATOM 662 NH2 ARG A 42 19.202 -6.982 -10.736 1.00 63.33 N ATOM 0 H ARG A 42 15.694 -5.513 -3.850 1.00 72.45 H new ATOM 0 HA ARG A 42 17.962 -4.739 -5.572 1.00 54.12 H new ATOM 0 HB2 ARG A 42 16.040 -7.014 -5.880 1.00 63.42 H new ATOM 0 HB3 ARG A 42 16.398 -6.083 -7.320 1.00 63.42 H new ATOM 0 HG2 ARG A 42 18.869 -6.460 -6.837 1.00 32.41 H new ATOM 0 HG3 ARG A 42 18.385 -7.563 -5.564 1.00 32.41 H new ATOM 0 HD2 ARG A 42 18.686 -9.011 -7.372 1.00 75.44 H new ATOM 0 HD3 ARG A 42 16.956 -8.736 -7.410 1.00 75.44 H new ATOM 0 HE ARG A 42 17.176 -7.654 -9.459 1.00 73.44 H new ATOM 0 HH11 ARG A 42 20.310 -7.885 -7.851 1.00 62.13 H new ATOM 0 HH12 ARG A 42 21.204 -7.290 -9.254 1.00 62.13 H new ATOM 0 HH21 ARG A 42 18.330 -6.892 -11.258 1.00 63.33 H new ATOM 0 HH22 ARG A 42 20.088 -6.730 -11.175 1.00 63.33 H new ATOM 676 N ASP A 43 16.229 -3.552 -7.212 1.00 62.00 N ATOM 677 CA ASP A 43 15.399 -2.513 -7.810 1.00 74.20 C ATOM 678 C ASP A 43 15.010 -2.883 -9.238 1.00 60.11 C ATOM 679 O ASP A 43 15.857 -2.933 -10.130 1.00 23.00 O ATOM 680 CB ASP A 43 16.135 -1.173 -7.800 1.00 11.34 C ATOM 681 CG ASP A 43 16.180 -0.548 -6.419 1.00 51.41 C ATOM 682 OD1 ASP A 43 16.578 -1.247 -5.464 1.00 75.03 O ATOM 683 OD2 ASP A 43 15.817 0.641 -6.293 1.00 73.14 O ATOM 0 H ASP A 43 16.989 -3.879 -7.808 1.00 62.00 H new ATOM 0 HA ASP A 43 14.489 -2.423 -7.216 1.00 74.20 H new ATOM 0 HB2 ASP A 43 17.152 -1.318 -8.164 1.00 11.34 H new ATOM 0 HB3 ASP A 43 15.644 -0.487 -8.490 1.00 11.34 H new ATOM 688 N PHE A 44 13.724 -3.143 -9.447 1.00 54.24 N ATOM 689 CA PHE A 44 13.223 -3.510 -10.767 1.00 32.53 C ATOM 690 C PHE A 44 12.539 -2.323 -11.439 1.00 63.41 C ATOM 691 O PHE A 44 12.486 -1.227 -10.882 1.00 50.21 O ATOM 692 CB PHE A 44 12.244 -4.681 -10.656 1.00 30.31 C ATOM 693 CG PHE A 44 12.918 -6.023 -10.605 1.00 15.11 C ATOM 694 CD1 PHE A 44 13.917 -6.276 -9.679 1.00 72.31 C ATOM 695 CD2 PHE A 44 12.551 -7.031 -11.482 1.00 41.43 C ATOM 696 CE1 PHE A 44 14.539 -7.510 -9.631 1.00 14.33 C ATOM 697 CE2 PHE A 44 13.169 -8.266 -11.438 1.00 61.23 C ATOM 698 CZ PHE A 44 14.163 -8.506 -10.510 1.00 65.25 C ATOM 0 H PHE A 44 13.010 -3.107 -8.720 1.00 54.24 H new ATOM 0 HA PHE A 44 14.073 -3.812 -11.380 1.00 32.53 H new ATOM 0 HB2 PHE A 44 11.638 -4.554 -9.759 1.00 30.31 H new ATOM 0 HB3 PHE A 44 11.563 -4.657 -11.507 1.00 30.31 H new ATOM 0 HD1 PHE A 44 14.213 -5.501 -8.987 1.00 72.31 H new ATOM 0 HD2 PHE A 44 11.773 -6.849 -12.208 1.00 41.43 H new ATOM 0 HE1 PHE A 44 15.318 -7.695 -8.906 1.00 14.33 H new ATOM 0 HE2 PHE A 44 12.875 -9.043 -12.129 1.00 61.23 H new ATOM 0 HZ PHE A 44 14.646 -9.471 -10.472 1.00 65.25 H new ATOM 708 N ASP A 45 12.019 -2.551 -12.640 1.00 14.11 N ATOM 709 CA ASP A 45 11.338 -1.501 -13.389 1.00 72.44 C ATOM 710 C ASP A 45 10.016 -2.009 -13.956 1.00 54.13 C ATOM 711 O ASP A 45 8.982 -1.354 -13.828 1.00 55.30 O ATOM 712 CB ASP A 45 12.231 -0.993 -14.522 1.00 51.30 C ATOM 713 CG ASP A 45 13.655 -0.740 -14.067 1.00 51.43 C ATOM 714 OD1 ASP A 45 14.423 -1.717 -13.953 1.00 22.14 O ATOM 715 OD2 ASP A 45 14.001 0.436 -13.825 1.00 73.03 O ATOM 0 H ASP A 45 12.056 -3.453 -13.116 1.00 14.11 H new ATOM 0 HA ASP A 45 11.128 -0.678 -12.705 1.00 72.44 H new ATOM 0 HB2 ASP A 45 12.236 -1.722 -15.332 1.00 51.30 H new ATOM 0 HB3 ASP A 45 11.812 -0.071 -14.925 1.00 51.30 H new ATOM 720 N SER A 46 10.057 -3.180 -14.585 1.00 4.45 N ATOM 721 CA SER A 46 8.864 -3.773 -15.176 1.00 13.23 C ATOM 722 C SER A 46 8.435 -5.016 -14.403 1.00 21.34 C ATOM 723 O SER A 46 9.269 -5.751 -13.873 1.00 22.41 O ATOM 724 CB SER A 46 9.119 -4.132 -16.641 1.00 21.13 C ATOM 725 OG SER A 46 7.918 -4.098 -17.391 1.00 55.42 O ATOM 0 H SER A 46 10.904 -3.736 -14.698 1.00 4.45 H new ATOM 0 HA SER A 46 8.060 -3.039 -15.124 1.00 13.23 H new ATOM 0 HB2 SER A 46 9.839 -3.435 -17.070 1.00 21.13 H new ATOM 0 HB3 SER A 46 9.562 -5.126 -16.703 1.00 21.13 H new ATOM 0 HG SER A 46 8.108 -4.329 -18.324 1.00 55.42 H new ATOM 731 N THR A 47 7.127 -5.246 -14.342 1.00 20.14 N ATOM 732 CA THR A 47 6.586 -6.399 -13.633 1.00 13.21 C ATOM 733 C THR A 47 6.884 -7.694 -14.380 1.00 45.51 C ATOM 734 O THR A 47 7.056 -8.748 -13.769 1.00 13.42 O ATOM 735 CB THR A 47 5.063 -6.273 -13.436 1.00 3.24 C ATOM 736 OG1 THR A 47 4.695 -4.893 -13.330 1.00 44.01 O ATOM 737 CG2 THR A 47 4.616 -7.019 -12.188 1.00 33.12 C ATOM 0 H THR A 47 6.423 -4.649 -14.775 1.00 20.14 H new ATOM 0 HA THR A 47 7.071 -6.426 -12.657 1.00 13.21 H new ATOM 0 HB THR A 47 4.569 -6.715 -14.301 1.00 3.24 H new ATOM 0 HG1 THR A 47 3.725 -4.822 -13.207 1.00 44.01 H new ATOM 0 HG21 THR A 47 3.537 -6.916 -12.069 1.00 33.12 H new ATOM 0 HG22 THR A 47 4.871 -8.074 -12.284 1.00 33.12 H new ATOM 0 HG23 THR A 47 5.118 -6.602 -11.315 1.00 33.12 H new ATOM 745 N GLU A 48 6.946 -7.606 -15.705 1.00 62.12 N ATOM 746 CA GLU A 48 7.224 -8.772 -16.535 1.00 25.42 C ATOM 747 C GLU A 48 8.501 -9.473 -16.078 1.00 42.34 C ATOM 748 O GLU A 48 8.511 -10.683 -15.857 1.00 24.11 O ATOM 749 CB GLU A 48 7.352 -8.363 -18.004 1.00 13.45 C ATOM 750 CG GLU A 48 7.350 -9.538 -18.966 1.00 22.41 C ATOM 751 CD GLU A 48 7.199 -9.108 -20.412 1.00 73.41 C ATOM 752 OE1 GLU A 48 7.966 -8.227 -20.853 1.00 75.21 O ATOM 753 OE2 GLU A 48 6.313 -9.654 -21.103 1.00 33.11 O ATOM 0 H GLU A 48 6.808 -6.740 -16.226 1.00 62.12 H new ATOM 0 HA GLU A 48 6.391 -9.467 -16.431 1.00 25.42 H new ATOM 0 HB2 GLU A 48 6.530 -7.694 -18.259 1.00 13.45 H new ATOM 0 HB3 GLU A 48 8.275 -7.798 -18.136 1.00 13.45 H new ATOM 0 HG2 GLU A 48 8.279 -10.097 -18.852 1.00 22.41 H new ATOM 0 HG3 GLU A 48 6.536 -10.215 -18.705 1.00 22.41 H new ATOM 760 N GLN A 49 9.575 -8.702 -15.941 1.00 1.30 N ATOM 761 CA GLN A 49 10.857 -9.248 -15.512 1.00 63.14 C ATOM 762 C GLN A 49 10.802 -9.686 -14.053 1.00 12.04 C ATOM 763 O GLN A 49 11.527 -10.591 -13.637 1.00 10.32 O ATOM 764 CB GLN A 49 11.967 -8.213 -15.705 1.00 13.31 C ATOM 765 CG GLN A 49 11.665 -6.870 -15.059 1.00 33.21 C ATOM 766 CD GLN A 49 12.911 -6.039 -14.831 1.00 5.51 C ATOM 767 OE1 GLN A 49 12.979 -4.877 -15.233 1.00 13.53 O ATOM 768 NE2 GLN A 49 13.908 -6.630 -14.183 1.00 31.54 N ATOM 0 H GLN A 49 9.583 -7.698 -16.121 1.00 1.30 H new ATOM 0 HA GLN A 49 11.074 -10.122 -16.126 1.00 63.14 H new ATOM 0 HB2 GLN A 49 12.895 -8.606 -15.290 1.00 13.31 H new ATOM 0 HB3 GLN A 49 12.133 -8.065 -16.772 1.00 13.31 H new ATOM 0 HG2 GLN A 49 10.973 -6.314 -15.692 1.00 33.21 H new ATOM 0 HG3 GLN A 49 11.163 -7.034 -14.106 1.00 33.21 H new ATOM 0 HE21 GLN A 49 13.810 -7.595 -13.867 1.00 31.54 H new ATOM 0 HE22 GLN A 49 14.772 -6.119 -14.001 1.00 31.54 H new ATOM 777 N LEU A 50 9.938 -9.039 -13.279 1.00 12.35 N ATOM 778 CA LEU A 50 9.788 -9.361 -11.864 1.00 34.13 C ATOM 779 C LEU A 50 9.521 -10.850 -11.670 1.00 34.32 C ATOM 780 O LEU A 50 10.314 -11.557 -11.049 1.00 10.42 O ATOM 781 CB LEU A 50 8.649 -8.543 -11.252 1.00 74.32 C ATOM 782 CG LEU A 50 8.622 -8.466 -9.725 1.00 44.13 C ATOM 783 CD1 LEU A 50 9.927 -7.889 -9.198 1.00 30.34 C ATOM 784 CD2 LEU A 50 7.440 -7.633 -9.254 1.00 15.23 C ATOM 0 H LEU A 50 9.331 -8.288 -13.607 1.00 12.35 H new ATOM 0 HA LEU A 50 10.720 -9.109 -11.359 1.00 34.13 H new ATOM 0 HB2 LEU A 50 8.705 -7.528 -11.646 1.00 74.32 H new ATOM 0 HB3 LEU A 50 7.703 -8.965 -11.591 1.00 74.32 H new ATOM 0 HG LEU A 50 8.509 -9.476 -9.331 1.00 44.13 H new ATOM 0 HD11 LEU A 50 9.890 -7.841 -8.110 1.00 30.34 H new ATOM 0 HD12 LEU A 50 10.757 -8.525 -9.506 1.00 30.34 H new ATOM 0 HD13 LEU A 50 10.070 -6.886 -9.600 1.00 30.34 H new ATOM 0 HD21 LEU A 50 7.437 -7.589 -8.165 1.00 15.23 H new ATOM 0 HD22 LEU A 50 7.522 -6.624 -9.658 1.00 15.23 H new ATOM 0 HD23 LEU A 50 6.513 -8.088 -9.602 1.00 15.23 H new ATOM 796 N GLU A 51 8.399 -11.320 -12.208 1.00 23.25 N ATOM 797 CA GLU A 51 8.029 -12.726 -12.094 1.00 63.12 C ATOM 798 C GLU A 51 8.934 -13.598 -12.960 1.00 71.22 C ATOM 799 O GLU A 51 9.362 -14.674 -12.542 1.00 73.24 O ATOM 800 CB GLU A 51 6.568 -12.926 -12.501 1.00 70.31 C ATOM 801 CG GLU A 51 5.613 -11.946 -11.842 1.00 12.33 C ATOM 802 CD GLU A 51 4.160 -12.245 -12.157 1.00 0.12 C ATOM 803 OE1 GLU A 51 3.711 -11.903 -13.271 1.00 2.34 O ATOM 804 OE2 GLU A 51 3.472 -12.822 -11.289 1.00 20.02 O ATOM 0 H GLU A 51 7.732 -10.748 -12.726 1.00 23.25 H new ATOM 0 HA GLU A 51 8.153 -13.025 -11.053 1.00 63.12 H new ATOM 0 HB2 GLU A 51 6.485 -12.829 -13.583 1.00 70.31 H new ATOM 0 HB3 GLU A 51 6.265 -13.942 -12.248 1.00 70.31 H new ATOM 0 HG2 GLU A 51 5.759 -11.972 -10.762 1.00 12.33 H new ATOM 0 HG3 GLU A 51 5.852 -10.935 -12.172 1.00 12.33 H new ATOM 811 N SER A 52 9.220 -13.126 -14.169 1.00 42.12 N ATOM 812 CA SER A 52 10.070 -13.864 -15.097 1.00 11.34 C ATOM 813 C SER A 52 11.430 -14.157 -14.471 1.00 20.41 C ATOM 814 O SER A 52 12.109 -15.110 -14.854 1.00 73.21 O ATOM 815 CB SER A 52 10.252 -13.073 -16.393 1.00 45.25 C ATOM 816 OG SER A 52 11.213 -13.687 -17.234 1.00 65.24 O ATOM 0 H SER A 52 8.876 -12.236 -14.529 1.00 42.12 H new ATOM 0 HA SER A 52 9.582 -14.812 -15.324 1.00 11.34 H new ATOM 0 HB2 SER A 52 9.299 -13.002 -16.916 1.00 45.25 H new ATOM 0 HB3 SER A 52 10.565 -12.055 -16.161 1.00 45.25 H new ATOM 0 HG SER A 52 11.310 -13.163 -18.057 1.00 65.24 H new ATOM 822 N TRP A 53 11.821 -13.332 -13.507 1.00 32.02 N ATOM 823 CA TRP A 53 13.100 -13.502 -12.827 1.00 61.31 C ATOM 824 C TRP A 53 13.068 -14.714 -11.902 1.00 60.02 C ATOM 825 O TRP A 53 13.937 -15.583 -11.971 1.00 63.25 O ATOM 826 CB TRP A 53 13.448 -12.245 -12.029 1.00 2.12 C ATOM 827 CG TRP A 53 14.279 -12.524 -10.813 1.00 64.23 C ATOM 828 CD1 TRP A 53 13.997 -12.164 -9.527 1.00 12.33 C ATOM 829 CD2 TRP A 53 15.529 -13.221 -10.772 1.00 4.15 C ATOM 830 NE1 TRP A 53 14.996 -12.594 -8.688 1.00 20.34 N ATOM 831 CE2 TRP A 53 15.947 -13.246 -9.427 1.00 24.45 C ATOM 832 CE3 TRP A 53 16.335 -13.827 -11.739 1.00 23.43 C ATOM 833 CZ2 TRP A 53 17.135 -13.853 -9.028 1.00 23.31 C ATOM 834 CZ3 TRP A 53 17.514 -14.429 -11.342 1.00 21.15 C ATOM 835 CH2 TRP A 53 17.905 -14.439 -9.996 1.00 31.41 C ATOM 0 H TRP A 53 11.271 -12.538 -13.178 1.00 32.02 H new ATOM 0 HA TRP A 53 13.867 -13.667 -13.584 1.00 61.31 H new ATOM 0 HB2 TRP A 53 13.984 -11.550 -12.675 1.00 2.12 H new ATOM 0 HB3 TRP A 53 12.526 -11.750 -11.724 1.00 2.12 H new ATOM 0 HD1 TRP A 53 13.117 -11.621 -9.215 1.00 12.33 H new ATOM 0 HE1 TRP A 53 15.025 -12.451 -7.678 1.00 20.34 H new ATOM 0 HE3 TRP A 53 16.042 -13.825 -12.778 1.00 23.43 H new ATOM 0 HZ2 TRP A 53 17.438 -13.861 -7.991 1.00 23.31 H new ATOM 0 HZ3 TRP A 53 18.145 -14.900 -12.081 1.00 21.15 H new ATOM 0 HH2 TRP A 53 18.832 -14.918 -9.717 1.00 31.41 H new ATOM 846 N PHE A 54 12.061 -14.766 -11.037 1.00 32.02 N ATOM 847 CA PHE A 54 11.917 -15.872 -10.097 1.00 54.22 C ATOM 848 C PHE A 54 11.437 -17.133 -10.811 1.00 5.34 C ATOM 849 O PHE A 54 11.374 -18.209 -10.216 1.00 61.24 O ATOM 850 CB PHE A 54 10.936 -15.498 -8.984 1.00 34.21 C ATOM 851 CG PHE A 54 10.740 -16.586 -7.967 1.00 62.31 C ATOM 852 CD1 PHE A 54 11.769 -16.947 -7.112 1.00 45.23 C ATOM 853 CD2 PHE A 54 9.527 -17.248 -7.866 1.00 23.24 C ATOM 854 CE1 PHE A 54 11.592 -17.948 -6.176 1.00 64.24 C ATOM 855 CE2 PHE A 54 9.344 -18.250 -6.931 1.00 62.23 C ATOM 856 CZ PHE A 54 10.378 -18.600 -6.085 1.00 0.11 C ATOM 0 H PHE A 54 11.333 -14.056 -10.967 1.00 32.02 H new ATOM 0 HA PHE A 54 12.894 -16.073 -9.658 1.00 54.22 H new ATOM 0 HB2 PHE A 54 11.296 -14.601 -8.480 1.00 34.21 H new ATOM 0 HB3 PHE A 54 9.972 -15.249 -9.428 1.00 34.21 H new ATOM 0 HD1 PHE A 54 12.720 -16.440 -7.178 1.00 45.23 H new ATOM 0 HD2 PHE A 54 8.715 -16.978 -8.525 1.00 23.24 H new ATOM 0 HE1 PHE A 54 12.402 -18.220 -5.516 1.00 64.24 H new ATOM 0 HE2 PHE A 54 8.394 -18.758 -6.862 1.00 62.23 H new ATOM 0 HZ PHE A 54 10.237 -19.382 -5.354 1.00 0.11 H new ATOM 866 N TYR A 55 11.101 -16.991 -12.088 1.00 11.33 N ATOM 867 CA TYR A 55 10.624 -18.117 -12.882 1.00 45.42 C ATOM 868 C TYR A 55 11.694 -18.580 -13.866 1.00 62.33 C ATOM 869 O TYR A 55 11.656 -19.708 -14.357 1.00 52.30 O ATOM 870 CB TYR A 55 9.352 -17.732 -13.639 1.00 1.31 C ATOM 871 CG TYR A 55 8.961 -18.724 -14.710 1.00 60.43 C ATOM 872 CD1 TYR A 55 9.479 -18.629 -15.996 1.00 32.10 C ATOM 873 CD2 TYR A 55 8.074 -19.758 -14.436 1.00 62.52 C ATOM 874 CE1 TYR A 55 9.124 -19.533 -16.978 1.00 34.41 C ATOM 875 CE2 TYR A 55 7.714 -20.668 -15.412 1.00 24.34 C ATOM 876 CZ TYR A 55 8.241 -20.551 -16.681 1.00 24.21 C ATOM 877 OH TYR A 55 7.886 -21.455 -17.656 1.00 1.10 O ATOM 0 H TYR A 55 11.150 -16.108 -12.595 1.00 11.33 H new ATOM 0 HA TYR A 55 10.399 -18.939 -12.203 1.00 45.42 H new ATOM 0 HB2 TYR A 55 8.531 -17.635 -12.928 1.00 1.31 H new ATOM 0 HB3 TYR A 55 9.494 -16.753 -14.097 1.00 1.31 H new ATOM 0 HD1 TYR A 55 10.171 -17.834 -16.232 1.00 32.10 H new ATOM 0 HD2 TYR A 55 7.659 -19.852 -13.443 1.00 62.52 H new ATOM 0 HE1 TYR A 55 9.535 -19.444 -17.973 1.00 34.41 H new ATOM 0 HE2 TYR A 55 7.024 -21.466 -15.182 1.00 24.34 H new ATOM 0 HH TYR A 55 7.258 -22.108 -17.283 1.00 1.10 H new ATOM 887 N GLY A 56 12.650 -17.700 -14.150 1.00 20.45 N ATOM 888 CA GLY A 56 13.718 -18.037 -15.073 1.00 11.41 C ATOM 889 C GLY A 56 14.856 -18.777 -14.399 1.00 35.54 C ATOM 890 O GLY A 56 15.600 -19.512 -15.049 1.00 71.32 O ATOM 0 H GLY A 56 12.704 -16.760 -13.757 1.00 20.45 H new ATOM 0 HA2 GLY A 56 13.317 -18.651 -15.879 1.00 11.41 H new ATOM 0 HA3 GLY A 56 14.102 -17.124 -15.528 1.00 11.41 H new ATOM 894 N LEU A 57 14.993 -18.584 -13.092 1.00 32.15 N ATOM 895 CA LEU A 57 16.050 -19.239 -12.328 1.00 54.41 C ATOM 896 C LEU A 57 16.055 -20.742 -12.585 1.00 25.23 C ATOM 897 O LEU A 57 15.051 -21.333 -12.981 1.00 53.04 O ATOM 898 CB LEU A 57 15.870 -18.965 -10.834 1.00 23.53 C ATOM 899 CG LEU A 57 16.324 -17.590 -10.344 1.00 14.24 C ATOM 900 CD1 LEU A 57 15.493 -17.148 -9.149 1.00 32.32 C ATOM 901 CD2 LEU A 57 17.803 -17.611 -9.988 1.00 61.22 C ATOM 0 H LEU A 57 14.386 -17.979 -12.539 1.00 32.15 H new ATOM 0 HA LEU A 57 17.007 -18.831 -12.653 1.00 54.41 H new ATOM 0 HB2 LEU A 57 14.815 -19.086 -10.587 1.00 23.53 H new ATOM 0 HB3 LEU A 57 16.417 -19.726 -10.277 1.00 23.53 H new ATOM 0 HG LEU A 57 16.175 -16.872 -11.150 1.00 14.24 H new ATOM 0 HD11 LEU A 57 15.830 -16.167 -8.814 1.00 32.32 H new ATOM 0 HD12 LEU A 57 14.443 -17.092 -9.437 1.00 32.32 H new ATOM 0 HD13 LEU A 57 15.609 -17.868 -8.339 1.00 32.32 H new ATOM 0 HD21 LEU A 57 18.108 -16.624 -9.641 1.00 61.22 H new ATOM 0 HD22 LEU A 57 17.977 -18.342 -9.199 1.00 61.22 H new ATOM 0 HD23 LEU A 57 18.385 -17.882 -10.869 1.00 61.22 H new ATOM 913 N PRO A 58 17.213 -21.378 -12.352 1.00 22.04 N ATOM 914 CA PRO A 58 17.377 -22.821 -12.548 1.00 62.42 C ATOM 915 C PRO A 58 16.608 -23.638 -11.516 1.00 34.23 C ATOM 916 O PRO A 58 15.882 -24.569 -11.862 1.00 72.11 O ATOM 917 CB PRO A 58 18.884 -23.033 -12.382 1.00 61.12 C ATOM 918 CG PRO A 58 19.333 -21.902 -11.523 1.00 21.12 C ATOM 919 CD PRO A 58 18.451 -20.737 -11.878 1.00 3.04 C ATOM 0 HA PRO A 58 16.990 -23.147 -13.514 1.00 62.42 H new ATOM 0 HB2 PRO A 58 19.100 -23.994 -11.916 1.00 61.12 H new ATOM 0 HB3 PRO A 58 19.393 -23.025 -13.346 1.00 61.12 H new ATOM 0 HG2 PRO A 58 19.241 -22.154 -10.467 1.00 21.12 H new ATOM 0 HG3 PRO A 58 20.382 -21.667 -11.704 1.00 21.12 H new ATOM 0 HD2 PRO A 58 18.267 -20.095 -11.016 1.00 3.04 H new ATOM 0 HD3 PRO A 58 18.901 -20.113 -12.650 1.00 3.04 H new ATOM 927 N GLY A 59 16.771 -23.283 -10.245 1.00 2.31 N ATOM 928 CA GLY A 59 16.085 -23.993 -9.182 1.00 31.03 C ATOM 929 C GLY A 59 14.584 -24.038 -9.389 1.00 61.22 C ATOM 930 O GLY A 59 14.065 -23.459 -10.343 1.00 72.03 O ATOM 0 H GLY A 59 17.366 -22.516 -9.933 1.00 2.31 H new ATOM 0 HA2 GLY A 59 16.471 -25.011 -9.121 1.00 31.03 H new ATOM 0 HA3 GLY A 59 16.303 -23.512 -8.228 1.00 31.03 H new ATOM 934 N SER A 60 13.885 -24.730 -8.495 1.00 1.43 N ATOM 935 CA SER A 60 12.435 -24.853 -8.587 1.00 60.04 C ATOM 936 C SER A 60 11.803 -24.892 -7.199 1.00 64.42 C ATOM 937 O SER A 60 12.396 -25.403 -6.250 1.00 34.34 O ATOM 938 CB SER A 60 12.058 -26.114 -9.368 1.00 1.15 C ATOM 939 OG SER A 60 12.283 -27.279 -8.593 1.00 60.10 O ATOM 0 H SER A 60 14.300 -25.214 -7.699 1.00 1.43 H new ATOM 0 HA SER A 60 12.054 -23.979 -9.115 1.00 60.04 H new ATOM 0 HB2 SER A 60 11.009 -26.065 -9.660 1.00 1.15 H new ATOM 0 HB3 SER A 60 12.643 -26.166 -10.286 1.00 1.15 H new ATOM 0 HG SER A 60 12.033 -28.071 -9.113 1.00 60.10 H new ATOM 945 N GLY A 61 10.595 -24.348 -7.090 1.00 2.02 N ATOM 946 CA GLY A 61 9.902 -24.330 -5.815 1.00 21.41 C ATOM 947 C GLY A 61 10.733 -23.705 -4.712 1.00 13.20 C ATOM 948 O GLY A 61 11.442 -22.724 -4.939 1.00 12.50 O ATOM 0 H GLY A 61 10.084 -23.919 -7.862 1.00 2.02 H new ATOM 0 HA2 GLY A 61 8.969 -23.777 -5.920 1.00 21.41 H new ATOM 0 HA3 GLY A 61 9.639 -25.350 -5.534 1.00 21.41 H new ATOM 952 N LEU A 62 10.645 -24.271 -3.514 1.00 32.43 N ATOM 953 CA LEU A 62 11.393 -23.762 -2.370 1.00 23.02 C ATOM 954 C LEU A 62 12.882 -23.675 -2.689 1.00 4.34 C ATOM 955 O LEU A 62 13.605 -22.864 -2.110 1.00 70.13 O ATOM 956 CB LEU A 62 11.173 -24.659 -1.151 1.00 31.24 C ATOM 957 CG LEU A 62 9.720 -24.857 -0.716 1.00 41.35 C ATOM 958 CD1 LEU A 62 9.394 -26.338 -0.602 1.00 11.44 C ATOM 959 CD2 LEU A 62 9.457 -24.147 0.604 1.00 53.35 C ATOM 0 H LEU A 62 10.063 -25.083 -3.309 1.00 32.43 H new ATOM 0 HA LEU A 62 11.028 -22.760 -2.146 1.00 23.02 H new ATOM 0 HB2 LEU A 62 11.604 -25.637 -1.362 1.00 31.24 H new ATOM 0 HB3 LEU A 62 11.729 -24.240 -0.312 1.00 31.24 H new ATOM 0 HG LEU A 62 9.071 -24.421 -1.475 1.00 41.35 H new ATOM 0 HD11 LEU A 62 8.356 -26.459 -0.292 1.00 11.44 H new ATOM 0 HD12 LEU A 62 9.542 -26.819 -1.569 1.00 11.44 H new ATOM 0 HD13 LEU A 62 10.050 -26.799 0.136 1.00 11.44 H new ATOM 0 HD21 LEU A 62 8.418 -24.299 0.898 1.00 53.35 H new ATOM 0 HD22 LEU A 62 10.115 -24.553 1.373 1.00 53.35 H new ATOM 0 HD23 LEU A 62 9.649 -23.080 0.488 1.00 53.35 H new ATOM 971 N GLY A 63 13.335 -24.515 -3.615 1.00 15.40 N ATOM 972 CA GLY A 63 14.735 -24.515 -3.996 1.00 53.44 C ATOM 973 C GLY A 63 15.181 -23.182 -4.564 1.00 51.03 C ATOM 974 O GLY A 63 16.313 -22.753 -4.343 1.00 24.14 O ATOM 0 H GLY A 63 12.757 -25.196 -4.108 1.00 15.40 H new ATOM 0 HA2 GLY A 63 15.345 -24.758 -3.126 1.00 53.44 H new ATOM 0 HA3 GLY A 63 14.907 -25.297 -4.735 1.00 53.44 H new ATOM 978 N ARG A 64 14.290 -22.526 -5.300 1.00 53.13 N ATOM 979 CA ARG A 64 14.599 -21.236 -5.904 1.00 41.42 C ATOM 980 C ARG A 64 14.865 -20.183 -4.832 1.00 35.01 C ATOM 981 O ARG A 64 15.516 -19.170 -5.090 1.00 72.41 O ATOM 982 CB ARG A 64 13.449 -20.782 -6.806 1.00 5.21 C ATOM 983 CG ARG A 64 13.502 -21.375 -8.204 1.00 74.13 C ATOM 984 CD ARG A 64 12.629 -20.593 -9.174 1.00 24.20 C ATOM 985 NE ARG A 64 11.708 -21.461 -9.903 1.00 12.33 N ATOM 986 CZ ARG A 64 10.551 -21.886 -9.407 1.00 23.13 C ATOM 987 NH1 ARG A 64 10.177 -21.526 -8.187 1.00 54.50 N ATOM 988 NH2 ARG A 64 9.767 -22.673 -10.131 1.00 73.43 N ATOM 0 H ARG A 64 13.348 -22.867 -5.492 1.00 53.13 H new ATOM 0 HA ARG A 64 15.500 -21.352 -6.506 1.00 41.42 H new ATOM 0 HB2 ARG A 64 12.503 -21.056 -6.340 1.00 5.21 H new ATOM 0 HB3 ARG A 64 13.464 -19.695 -6.881 1.00 5.21 H new ATOM 0 HG2 ARG A 64 14.532 -21.378 -8.561 1.00 74.13 H new ATOM 0 HG3 ARG A 64 13.173 -22.414 -8.173 1.00 74.13 H new ATOM 0 HD2 ARG A 64 12.061 -19.841 -8.626 1.00 24.20 H new ATOM 0 HD3 ARG A 64 13.262 -20.060 -9.883 1.00 24.20 H new ATOM 0 HE ARG A 64 11.967 -21.757 -10.844 1.00 12.33 H new ATOM 0 HH11 ARG A 64 10.778 -20.921 -7.627 1.00 54.50 H new ATOM 0 HH12 ARG A 64 9.288 -21.854 -7.809 1.00 54.50 H new ATOM 0 HH21 ARG A 64 10.052 -22.953 -11.070 1.00 73.43 H new ATOM 0 HH22 ARG A 64 8.879 -22.999 -9.749 1.00 73.43 H new ATOM 1002 N ILE A 65 14.356 -20.429 -3.630 1.00 35.55 N ATOM 1003 CA ILE A 65 14.538 -19.504 -2.519 1.00 3.53 C ATOM 1004 C ILE A 65 16.017 -19.320 -2.194 1.00 33.15 C ATOM 1005 O ILE A 65 16.431 -18.262 -1.721 1.00 63.23 O ATOM 1006 CB ILE A 65 13.802 -19.988 -1.255 1.00 45.33 C ATOM 1007 CG1 ILE A 65 12.305 -20.130 -1.534 1.00 72.51 C ATOM 1008 CG2 ILE A 65 14.043 -19.026 -0.101 1.00 53.02 C ATOM 1009 CD1 ILE A 65 11.437 -19.872 -0.322 1.00 43.22 C ATOM 0 H ILE A 65 13.814 -21.262 -3.401 1.00 35.55 H new ATOM 0 HA ILE A 65 14.115 -18.549 -2.831 1.00 3.53 H new ATOM 0 HB ILE A 65 14.195 -20.966 -0.975 1.00 45.33 H new ATOM 0 HG12 ILE A 65 12.024 -19.436 -2.326 1.00 72.51 H new ATOM 0 HG13 ILE A 65 12.107 -21.135 -1.905 1.00 72.51 H new ATOM 0 HG21 ILE A 65 13.517 -19.381 0.785 1.00 53.02 H new ATOM 0 HG22 ILE A 65 15.111 -18.970 0.109 1.00 53.02 H new ATOM 0 HG23 ILE A 65 13.674 -18.036 -0.369 1.00 53.02 H new ATOM 0 HD11 ILE A 65 10.388 -19.990 -0.594 1.00 43.22 H new ATOM 0 HD12 ILE A 65 11.690 -20.582 0.465 1.00 43.22 H new ATOM 0 HD13 ILE A 65 11.606 -18.857 0.037 1.00 43.22 H new ATOM 1021 N GLU A 66 16.807 -20.358 -2.451 1.00 40.54 N ATOM 1022 CA GLU A 66 18.240 -20.310 -2.187 1.00 2.44 C ATOM 1023 C GLU A 66 18.991 -19.700 -3.367 1.00 24.31 C ATOM 1024 O GLU A 66 20.114 -19.219 -3.220 1.00 21.40 O ATOM 1025 CB GLU A 66 18.775 -21.714 -1.897 1.00 41.35 C ATOM 1026 CG GLU A 66 18.976 -22.557 -3.145 1.00 62.31 C ATOM 1027 CD GLU A 66 18.441 -23.967 -2.989 1.00 34.24 C ATOM 1028 OE1 GLU A 66 18.337 -24.437 -1.836 1.00 74.10 O ATOM 1029 OE2 GLU A 66 18.126 -24.601 -4.018 1.00 11.44 O ATOM 0 H GLU A 66 16.479 -21.241 -2.841 1.00 40.54 H new ATOM 0 HA GLU A 66 18.401 -19.680 -1.312 1.00 2.44 H new ATOM 0 HB2 GLU A 66 19.724 -21.630 -1.368 1.00 41.35 H new ATOM 0 HB3 GLU A 66 18.083 -22.227 -1.229 1.00 41.35 H new ATOM 0 HG2 GLU A 66 18.480 -22.075 -3.988 1.00 62.31 H new ATOM 0 HG3 GLU A 66 20.039 -22.600 -3.383 1.00 62.31 H new ATOM 1036 N ASN A 67 18.363 -19.726 -4.538 1.00 14.44 N ATOM 1037 CA ASN A 67 18.971 -19.177 -5.744 1.00 63.11 C ATOM 1038 C ASN A 67 18.662 -17.689 -5.881 1.00 63.43 C ATOM 1039 O ASN A 67 19.569 -16.861 -5.953 1.00 42.24 O ATOM 1040 CB ASN A 67 18.472 -19.929 -6.979 1.00 61.25 C ATOM 1041 CG ASN A 67 19.288 -21.175 -7.267 1.00 13.12 C ATOM 1042 OD1 ASN A 67 20.490 -21.217 -7.007 1.00 3.32 O ATOM 1043 ND2 ASN A 67 18.635 -22.198 -7.807 1.00 1.25 N ATOM 0 H ASN A 67 17.433 -20.122 -4.677 1.00 14.44 H new ATOM 0 HA ASN A 67 20.051 -19.299 -5.664 1.00 63.11 H new ATOM 0 HB2 ASN A 67 17.428 -20.207 -6.834 1.00 61.25 H new ATOM 0 HB3 ASN A 67 18.508 -19.266 -7.844 1.00 61.25 H new ATOM 0 HD21 ASN A 67 19.131 -23.063 -8.023 1.00 1.25 H new ATOM 0 HD22 ASN A 67 17.638 -22.119 -8.006 1.00 1.25 H new ATOM 1050 N ALA A 68 17.376 -17.359 -5.916 1.00 15.31 N ATOM 1051 CA ALA A 68 16.946 -15.971 -6.042 1.00 25.44 C ATOM 1052 C ALA A 68 17.510 -15.118 -4.911 1.00 4.23 C ATOM 1053 O ALA A 68 18.154 -14.097 -5.153 1.00 21.33 O ATOM 1054 CB ALA A 68 15.427 -15.888 -6.061 1.00 23.51 C ATOM 0 H ALA A 68 16.613 -18.033 -5.859 1.00 15.31 H new ATOM 0 HA ALA A 68 17.331 -15.581 -6.984 1.00 25.44 H new ATOM 0 HB1 ALA A 68 15.121 -14.846 -6.155 1.00 23.51 H new ATOM 0 HB2 ALA A 68 15.042 -16.458 -6.907 1.00 23.51 H new ATOM 0 HB3 ALA A 68 15.028 -16.301 -5.134 1.00 23.51 H new ATOM 1060 N MET A 69 17.264 -15.542 -3.676 1.00 34.13 N ATOM 1061 CA MET A 69 17.748 -14.816 -2.508 1.00 12.25 C ATOM 1062 C MET A 69 19.249 -14.564 -2.608 1.00 30.24 C ATOM 1063 O MET A 69 19.721 -13.458 -2.348 1.00 53.05 O ATOM 1064 CB MET A 69 17.434 -15.595 -1.229 1.00 74.53 C ATOM 1065 CG MET A 69 17.915 -14.906 0.037 1.00 11.20 C ATOM 1066 SD MET A 69 18.063 -16.039 1.432 1.00 60.03 S ATOM 1067 CE MET A 69 16.422 -16.755 1.462 1.00 74.33 C ATOM 0 H MET A 69 16.732 -16.385 -3.458 1.00 34.13 H new ATOM 0 HA MET A 69 17.237 -13.854 -2.473 1.00 12.25 H new ATOM 0 HB2 MET A 69 16.357 -15.748 -1.162 1.00 74.53 H new ATOM 0 HB3 MET A 69 17.893 -16.582 -1.293 1.00 74.53 H new ATOM 0 HG2 MET A 69 18.882 -14.441 -0.152 1.00 11.20 H new ATOM 0 HG3 MET A 69 17.222 -14.106 0.296 1.00 11.20 H new ATOM 0 HE1 MET A 69 16.406 -17.599 2.151 1.00 74.33 H new ATOM 0 HE2 MET A 69 15.703 -16.004 1.791 1.00 74.33 H new ATOM 0 HE3 MET A 69 16.156 -17.098 0.462 1.00 74.33 H new ATOM 1077 N ASN A 70 19.994 -15.598 -2.985 1.00 30.24 N ATOM 1078 CA ASN A 70 21.442 -15.489 -3.118 1.00 2.42 C ATOM 1079 C ASN A 70 21.815 -14.438 -4.160 1.00 33.32 C ATOM 1080 O ASN A 70 22.907 -13.873 -4.122 1.00 12.34 O ATOM 1081 CB ASN A 70 22.044 -16.842 -3.504 1.00 14.44 C ATOM 1082 CG ASN A 70 23.546 -16.773 -3.695 1.00 43.33 C ATOM 1083 OD1 ASN A 70 24.052 -16.969 -4.801 1.00 11.05 O ATOM 1084 ND2 ASN A 70 24.268 -16.493 -2.616 1.00 61.12 N ATOM 0 H ASN A 70 19.619 -16.521 -3.204 1.00 30.24 H new ATOM 0 HA ASN A 70 21.848 -15.180 -2.155 1.00 2.42 H new ATOM 0 HB2 ASN A 70 21.812 -17.574 -2.730 1.00 14.44 H new ATOM 0 HB3 ASN A 70 21.579 -17.194 -4.425 1.00 14.44 H new ATOM 0 HD21 ASN A 70 25.284 -16.433 -2.684 1.00 61.12 H new ATOM 0 HD22 ASN A 70 23.806 -16.338 -1.720 1.00 61.12 H new ATOM 1091 N GLU A 71 20.899 -14.183 -5.089 1.00 15.14 N ATOM 1092 CA GLU A 71 21.132 -13.201 -6.141 1.00 15.32 C ATOM 1093 C GLU A 71 20.716 -11.805 -5.684 1.00 72.21 C ATOM 1094 O GLU A 71 21.496 -10.856 -5.765 1.00 63.20 O ATOM 1095 CB GLU A 71 20.363 -13.585 -7.407 1.00 42.20 C ATOM 1096 CG GLU A 71 20.615 -15.013 -7.862 1.00 53.40 C ATOM 1097 CD GLU A 71 21.403 -15.082 -9.156 1.00 35.32 C ATOM 1098 OE1 GLU A 71 22.272 -14.211 -9.368 1.00 23.43 O ATOM 1099 OE2 GLU A 71 21.150 -16.007 -9.956 1.00 54.21 O ATOM 0 H GLU A 71 19.989 -14.643 -5.134 1.00 15.14 H new ATOM 0 HA GLU A 71 22.199 -13.189 -6.362 1.00 15.32 H new ATOM 0 HB2 GLU A 71 19.296 -13.452 -7.228 1.00 42.20 H new ATOM 0 HB3 GLU A 71 20.639 -12.902 -8.211 1.00 42.20 H new ATOM 0 HG2 GLU A 71 21.156 -15.549 -7.082 1.00 53.40 H new ATOM 0 HG3 GLU A 71 19.660 -15.522 -7.995 1.00 53.40 H new ATOM 1106 N ILE A 72 19.482 -11.689 -5.205 1.00 71.12 N ATOM 1107 CA ILE A 72 18.963 -10.411 -4.735 1.00 54.33 C ATOM 1108 C ILE A 72 19.752 -9.905 -3.532 1.00 71.44 C ATOM 1109 O ILE A 72 19.893 -8.699 -3.332 1.00 63.11 O ATOM 1110 CB ILE A 72 17.475 -10.514 -4.352 1.00 75.20 C ATOM 1111 CG1 ILE A 72 16.672 -11.134 -5.498 1.00 22.42 C ATOM 1112 CG2 ILE A 72 16.923 -9.142 -3.994 1.00 61.20 C ATOM 1113 CD1 ILE A 72 15.339 -10.460 -5.736 1.00 64.14 C ATOM 0 H ILE A 72 18.823 -12.464 -5.132 1.00 71.12 H new ATOM 0 HA ILE A 72 19.070 -9.706 -5.559 1.00 54.33 H new ATOM 0 HB ILE A 72 17.385 -11.160 -3.479 1.00 75.20 H new ATOM 0 HG12 ILE A 72 17.263 -11.085 -6.413 1.00 22.42 H new ATOM 0 HG13 ILE A 72 16.503 -12.189 -5.283 1.00 22.42 H new ATOM 0 HG21 ILE A 72 15.870 -9.232 -3.726 1.00 61.20 H new ATOM 0 HG22 ILE A 72 17.479 -8.735 -3.150 1.00 61.20 H new ATOM 0 HG23 ILE A 72 17.023 -8.475 -4.850 1.00 61.20 H new ATOM 0 HD11 ILE A 72 14.825 -10.952 -6.562 1.00 64.14 H new ATOM 0 HD12 ILE A 72 14.729 -10.531 -4.835 1.00 64.14 H new ATOM 0 HD13 ILE A 72 15.501 -9.411 -5.982 1.00 64.14 H new ATOM 1125 N SER A 73 20.266 -10.837 -2.735 1.00 52.52 N ATOM 1126 CA SER A 73 21.040 -10.486 -1.550 1.00 51.12 C ATOM 1127 C SER A 73 22.367 -9.841 -1.939 1.00 72.03 C ATOM 1128 O SER A 73 23.060 -9.267 -1.100 1.00 3.14 O ATOM 1129 CB SER A 73 21.295 -11.729 -0.696 1.00 3.14 C ATOM 1130 OG SER A 73 21.824 -11.377 0.571 1.00 21.11 O ATOM 0 H SER A 73 20.160 -11.840 -2.888 1.00 52.52 H new ATOM 0 HA SER A 73 20.463 -9.766 -0.969 1.00 51.12 H new ATOM 0 HB2 SER A 73 20.364 -12.281 -0.565 1.00 3.14 H new ATOM 0 HB3 SER A 73 21.989 -12.393 -1.212 1.00 3.14 H new ATOM 0 HG SER A 73 22.448 -10.629 0.468 1.00 21.11 H new ATOM 1136 N ARG A 74 22.713 -9.940 -3.219 1.00 21.45 N ATOM 1137 CA ARG A 74 23.957 -9.369 -3.720 1.00 52.50 C ATOM 1138 C ARG A 74 23.925 -7.845 -3.641 1.00 42.05 C ATOM 1139 O ARG A 74 23.007 -7.262 -3.065 1.00 74.22 O ATOM 1140 CB ARG A 74 24.200 -9.810 -5.164 1.00 65.52 C ATOM 1141 CG ARG A 74 24.316 -11.317 -5.329 1.00 24.03 C ATOM 1142 CD ARG A 74 25.589 -11.851 -4.690 1.00 40.10 C ATOM 1143 NE ARG A 74 26.775 -11.524 -5.477 1.00 61.20 N ATOM 1144 CZ ARG A 74 27.982 -12.019 -5.227 1.00 3.44 C ATOM 1145 NH1 ARG A 74 28.162 -12.858 -4.216 1.00 60.12 N ATOM 1146 NH2 ARG A 74 29.013 -11.674 -5.988 1.00 51.31 N ATOM 0 H ARG A 74 22.149 -10.410 -3.927 1.00 21.45 H new ATOM 0 HA ARG A 74 24.773 -9.732 -3.094 1.00 52.50 H new ATOM 0 HB2 ARG A 74 23.384 -9.446 -5.788 1.00 65.52 H new ATOM 0 HB3 ARG A 74 25.114 -9.342 -5.529 1.00 65.52 H new ATOM 0 HG2 ARG A 74 23.450 -11.801 -4.878 1.00 24.03 H new ATOM 0 HG3 ARG A 74 24.306 -11.570 -6.389 1.00 24.03 H new ATOM 0 HD2 ARG A 74 25.693 -11.436 -3.688 1.00 40.10 H new ATOM 0 HD3 ARG A 74 25.513 -12.933 -4.581 1.00 40.10 H new ATOM 0 HE ARG A 74 26.671 -10.880 -6.261 1.00 61.20 H new ATOM 0 HH11 ARG A 74 27.372 -13.125 -3.628 1.00 60.12 H new ATOM 0 HH12 ARG A 74 29.090 -13.237 -4.026 1.00 60.12 H new ATOM 0 HH21 ARG A 74 28.879 -11.028 -6.766 1.00 51.31 H new ATOM 0 HH22 ARG A 74 29.939 -12.055 -5.795 1.00 51.31 H new