USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 921 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 82 MET CE :methyl -124:sc= -9.57! (180deg=-14.8!) USER MOD Set 1.2: A 84 THR OG1 : rot 69:sc= -0.628 USER MOD Set 2.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= -0.0925 USER MOD Set 3.1: A 53 TYR OH : rot -133:sc= 0.991 USER MOD Set 3.2: A 106 GLN : amide:sc= -5.87! C(o=-4.9!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.142 (180deg=-0.21) USER MOD Single : A 11 CYS SG : rot 8:sc= -6.19! USER MOD Single : A 12 HIS : no HE2:sc= -6.26! C(o=-6.3!,f=-14!) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.17! C(o=-2.5!,f=-1.2!) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0.00375 (180deg=-0.0348) USER MOD Single : A 20 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Single : A 21 MET CE :methyl -169:sc= -4.42! (180deg=-4.97) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 68:sc= 0.541 USER MOD Single : A 38 SER OG : rot 91:sc= 0.991 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -0.153 (180deg=-0.155) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.00412) USER MOD Single : A 78 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.011) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.3) USER MOD Single : A 108 THR OG1 : rot 80:sc= -2.9! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -9.06! C(o=-11!,f=-9.1!) USER MOD Single : A 116 THR OG1 : rot 100:sc= -0.166 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 56:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.436 -2.113 -3.622 1.00 42.40 N ATOM 2 CA MET A 1 1.873 -1.879 -3.705 1.00 43.12 C ATOM 3 C MET A 1 2.170 -0.407 -3.975 1.00 60.34 C ATOM 4 O MET A 1 3.320 0.025 -3.912 1.00 3.43 O ATOM 5 CB MET A 1 2.490 -2.746 -4.805 1.00 11.24 C ATOM 6 CG MET A 1 2.428 -4.236 -4.510 1.00 52.22 C ATOM 7 SD MET A 1 1.258 -5.105 -5.572 1.00 22.52 S ATOM 8 CE MET A 1 2.333 -6.313 -6.342 1.00 45.03 C ATOM 0 H1 MET A 1 0.260 -3.111 -3.387 1.00 42.40 H new ATOM 0 H2 MET A 1 0.028 -1.506 -2.883 1.00 42.40 H new ATOM 0 H3 MET A 1 -0.006 -1.889 -4.537 1.00 42.40 H new ATOM 0 HA MET A 1 2.316 -2.151 -2.747 1.00 43.12 H new ATOM 0 HB2 MET A 1 1.974 -2.548 -5.745 1.00 11.24 H new ATOM 0 HB3 MET A 1 3.531 -2.455 -4.945 1.00 11.24 H new ATOM 0 HG2 MET A 1 3.420 -4.669 -4.637 1.00 52.22 H new ATOM 0 HG3 MET A 1 2.147 -4.385 -3.468 1.00 52.22 H new ATOM 0 HE1 MET A 1 1.754 -6.929 -7.030 1.00 45.03 H new ATOM 0 HE2 MET A 1 3.122 -5.800 -6.891 1.00 45.03 H new ATOM 0 HE3 MET A 1 2.778 -6.946 -5.574 1.00 45.03 H new ATOM 18 N ALA A 2 1.125 0.357 -4.278 1.00 23.44 N ATOM 19 CA ALA A 2 1.275 1.780 -4.556 1.00 35.32 C ATOM 20 C ALA A 2 2.591 2.064 -5.270 1.00 44.31 C ATOM 21 O ALA A 2 2.717 1.838 -6.473 1.00 40.43 O ATOM 22 CB ALA A 2 1.188 2.582 -3.266 1.00 33.54 C ATOM 0 H ALA A 2 0.166 0.014 -4.337 1.00 23.44 H new ATOM 0 HA ALA A 2 0.462 2.084 -5.215 1.00 35.32 H new ATOM 0 HB1 ALA A 2 1.302 3.643 -3.489 1.00 33.54 H new ATOM 0 HB2 ALA A 2 0.219 2.412 -2.796 1.00 33.54 H new ATOM 0 HB3 ALA A 2 1.981 2.267 -2.587 1.00 33.54 H new ATOM 28 N ALA A 3 3.570 2.562 -4.521 1.00 70.12 N ATOM 29 CA ALA A 3 4.878 2.876 -5.083 1.00 53.02 C ATOM 30 C ALA A 3 4.837 4.179 -5.875 1.00 35.15 C ATOM 31 O ALA A 3 4.769 4.167 -7.103 1.00 63.01 O ATOM 32 CB ALA A 3 5.361 1.735 -5.966 1.00 74.12 C ATOM 0 H ALA A 3 3.482 2.757 -3.524 1.00 70.12 H new ATOM 0 HA ALA A 3 5.579 3.004 -4.258 1.00 53.02 H new ATOM 0 HB1 ALA A 3 6.339 1.983 -6.379 1.00 74.12 H new ATOM 0 HB2 ALA A 3 5.438 0.824 -5.373 1.00 74.12 H new ATOM 0 HB3 ALA A 3 4.652 1.580 -6.780 1.00 74.12 H new ATOM 38 N GLU A 4 4.877 5.300 -5.162 1.00 14.41 N ATOM 39 CA GLU A 4 4.842 6.611 -5.799 1.00 41.44 C ATOM 40 C GLU A 4 3.808 6.644 -6.921 1.00 15.14 C ATOM 41 O GLU A 4 4.116 6.340 -8.072 1.00 44.53 O ATOM 42 CB GLU A 4 6.223 6.970 -6.354 1.00 15.04 C ATOM 43 CG GLU A 4 6.249 8.283 -7.118 1.00 61.21 C ATOM 44 CD GLU A 4 6.720 8.115 -8.550 1.00 23.14 C ATOM 45 OE1 GLU A 4 6.222 7.197 -9.234 1.00 34.32 O ATOM 46 OE2 GLU A 4 7.587 8.901 -8.986 1.00 23.34 O ATOM 0 H GLU A 4 4.934 5.327 -4.144 1.00 14.41 H new ATOM 0 HA GLU A 4 4.558 7.345 -5.045 1.00 41.44 H new ATOM 0 HB2 GLU A 4 6.934 7.025 -5.529 1.00 15.04 H new ATOM 0 HB3 GLU A 4 6.560 6.169 -7.012 1.00 15.04 H new ATOM 0 HG2 GLU A 4 5.250 8.720 -7.117 1.00 61.21 H new ATOM 0 HG3 GLU A 4 6.905 8.986 -6.604 1.00 61.21 H new ATOM 53 N GLU A 5 2.579 7.014 -6.573 1.00 52.35 N ATOM 54 CA GLU A 5 1.498 7.085 -7.550 1.00 45.23 C ATOM 55 C GLU A 5 1.329 8.509 -8.072 1.00 44.21 C ATOM 56 O GLU A 5 2.286 9.282 -8.121 1.00 74.42 O ATOM 57 CB GLU A 5 0.187 6.599 -6.930 1.00 22.42 C ATOM 58 CG GLU A 5 0.360 5.415 -5.992 1.00 53.42 C ATOM 59 CD GLU A 5 0.663 4.126 -6.730 1.00 30.21 C ATOM 60 OE1 GLU A 5 1.826 3.941 -7.146 1.00 72.35 O ATOM 61 OE2 GLU A 5 -0.262 3.302 -6.891 1.00 4.20 O ATOM 0 H GLU A 5 2.307 7.269 -5.623 1.00 52.35 H new ATOM 0 HA GLU A 5 1.757 6.437 -8.388 1.00 45.23 H new ATOM 0 HB2 GLU A 5 -0.273 7.421 -6.382 1.00 22.42 H new ATOM 0 HB3 GLU A 5 -0.502 6.322 -7.728 1.00 22.42 H new ATOM 0 HG2 GLU A 5 1.168 5.626 -5.291 1.00 53.42 H new ATOM 0 HG3 GLU A 5 -0.548 5.287 -5.403 1.00 53.42 H new ATOM 68 N GLY A 6 0.104 8.849 -8.462 1.00 23.02 N ATOM 69 CA GLY A 6 -0.169 10.178 -8.976 1.00 3.55 C ATOM 70 C GLY A 6 -0.444 11.181 -7.873 1.00 11.05 C ATOM 71 O GLY A 6 -1.128 12.181 -8.089 1.00 50.43 O ATOM 0 H GLY A 6 -0.704 8.227 -8.431 1.00 23.02 H new ATOM 0 HA2 GLY A 6 0.681 10.517 -9.568 1.00 3.55 H new ATOM 0 HA3 GLY A 6 -1.027 10.136 -9.647 1.00 3.55 H new ATOM 75 N VAL A 7 0.088 10.913 -6.684 1.00 62.44 N ATOM 76 CA VAL A 7 -0.104 11.799 -5.543 1.00 34.44 C ATOM 77 C VAL A 7 1.150 12.620 -5.267 1.00 12.30 C ATOM 78 O VAL A 7 2.177 12.443 -5.921 1.00 44.45 O ATOM 79 CB VAL A 7 -0.475 11.007 -4.274 1.00 53.23 C ATOM 80 CG1 VAL A 7 -1.338 9.805 -4.628 1.00 1.21 C ATOM 81 CG2 VAL A 7 0.779 10.573 -3.532 1.00 4.34 C ATOM 0 H VAL A 7 0.655 10.089 -6.487 1.00 62.44 H new ATOM 0 HA VAL A 7 -0.925 12.470 -5.798 1.00 34.44 H new ATOM 0 HB VAL A 7 -1.052 11.657 -3.616 1.00 53.23 H new ATOM 0 HG11 VAL A 7 -1.590 9.258 -3.720 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -2.253 10.144 -5.113 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -0.790 9.150 -5.305 1.00 1.21 H new ATOM 0 HG21 VAL A 7 0.498 10.015 -2.639 1.00 4.34 H new ATOM 0 HG22 VAL A 7 1.384 9.939 -4.180 1.00 4.34 H new ATOM 0 HG23 VAL A 7 1.354 11.453 -3.244 1.00 4.34 H new ATOM 91 N VAL A 8 1.059 13.520 -4.293 1.00 12.22 N ATOM 92 CA VAL A 8 2.187 14.369 -3.929 1.00 12.25 C ATOM 93 C VAL A 8 3.451 13.543 -3.718 1.00 13.25 C ATOM 94 O VAL A 8 3.688 13.021 -2.628 1.00 4.32 O ATOM 95 CB VAL A 8 1.893 15.174 -2.649 1.00 1.14 C ATOM 96 CG1 VAL A 8 0.711 16.107 -2.864 1.00 30.23 C ATOM 97 CG2 VAL A 8 1.638 14.237 -1.478 1.00 14.44 C ATOM 0 H VAL A 8 0.216 13.680 -3.742 1.00 12.22 H new ATOM 0 HA VAL A 8 2.343 15.061 -4.757 1.00 12.25 H new ATOM 0 HB VAL A 8 2.766 15.782 -2.414 1.00 1.14 H new ATOM 0 HG11 VAL A 8 0.518 16.667 -1.949 1.00 30.23 H new ATOM 0 HG12 VAL A 8 0.938 16.801 -3.673 1.00 30.23 H new ATOM 0 HG13 VAL A 8 -0.171 15.522 -3.124 1.00 30.23 H new ATOM 0 HG21 VAL A 8 1.432 14.822 -0.582 1.00 14.44 H new ATOM 0 HG22 VAL A 8 0.781 13.601 -1.701 1.00 14.44 H new ATOM 0 HG23 VAL A 8 2.518 13.615 -1.311 1.00 14.44 H new ATOM 107 N ILE A 9 4.258 13.429 -4.766 1.00 43.14 N ATOM 108 CA ILE A 9 5.499 12.668 -4.695 1.00 62.33 C ATOM 109 C ILE A 9 6.262 12.979 -3.412 1.00 61.41 C ATOM 110 O ILE A 9 5.908 13.898 -2.674 1.00 73.44 O ATOM 111 CB ILE A 9 6.409 12.959 -5.903 1.00 53.45 C ATOM 112 CG1 ILE A 9 5.597 12.925 -7.200 1.00 44.23 C ATOM 113 CG2 ILE A 9 7.551 11.957 -5.961 1.00 24.45 C ATOM 114 CD1 ILE A 9 4.742 11.686 -7.345 1.00 51.23 C ATOM 0 H ILE A 9 4.075 13.854 -5.675 1.00 43.14 H new ATOM 0 HA ILE A 9 5.223 11.614 -4.705 1.00 62.33 H new ATOM 0 HB ILE A 9 6.833 13.956 -5.787 1.00 53.45 H new ATOM 0 HG12 ILE A 9 4.956 13.806 -7.241 1.00 44.23 H new ATOM 0 HG13 ILE A 9 6.279 12.987 -8.048 1.00 44.23 H new ATOM 0 HG21 ILE A 9 8.185 12.177 -6.820 1.00 24.45 H new ATOM 0 HG22 ILE A 9 8.142 12.025 -5.048 1.00 24.45 H new ATOM 0 HG23 ILE A 9 7.146 10.949 -6.057 1.00 24.45 H new ATOM 0 HD11 ILE A 9 4.195 11.730 -8.287 1.00 51.23 H new ATOM 0 HD12 ILE A 9 5.379 10.801 -7.336 1.00 51.23 H new ATOM 0 HD13 ILE A 9 4.035 11.633 -6.517 1.00 51.23 H new ATOM 126 N ALA A 10 7.313 12.207 -3.153 1.00 52.12 N ATOM 127 CA ALA A 10 8.129 12.402 -1.961 1.00 53.43 C ATOM 128 C ALA A 10 9.605 12.165 -2.261 1.00 52.15 C ATOM 129 O ALA A 10 10.135 11.085 -2.000 1.00 23.30 O ATOM 130 CB ALA A 10 7.661 11.481 -0.844 1.00 54.24 C ATOM 0 H ALA A 10 7.619 11.441 -3.753 1.00 52.12 H new ATOM 0 HA ALA A 10 8.013 13.436 -1.637 1.00 53.43 H new ATOM 0 HB1 ALA A 10 8.279 11.638 0.040 1.00 54.24 H new ATOM 0 HB2 ALA A 10 6.621 11.701 -0.603 1.00 54.24 H new ATOM 0 HB3 ALA A 10 7.747 10.444 -1.168 1.00 54.24 H new ATOM 136 N CYS A 11 10.262 13.180 -2.812 1.00 22.41 N ATOM 137 CA CYS A 11 11.678 13.080 -3.149 1.00 52.43 C ATOM 138 C CYS A 11 12.499 12.667 -1.933 1.00 20.45 C ATOM 139 O CYS A 11 12.713 11.478 -1.689 1.00 51.45 O ATOM 140 CB CYS A 11 12.188 14.415 -3.694 1.00 43.04 C ATOM 141 SG CYS A 11 11.377 15.864 -2.979 1.00 35.42 S ATOM 0 H CYS A 11 9.838 14.080 -3.035 1.00 22.41 H new ATOM 0 HA CYS A 11 11.790 12.315 -3.917 1.00 52.43 H new ATOM 0 HB2 CYS A 11 13.260 14.484 -3.510 1.00 43.04 H new ATOM 0 HB3 CYS A 11 12.049 14.431 -4.775 1.00 43.04 H new ATOM 0 HG CYS A 11 10.605 15.491 -2.002 1.00 35.42 H new ATOM 147 N HIS A 12 12.959 13.655 -1.171 1.00 74.33 N ATOM 148 CA HIS A 12 13.758 13.393 0.020 1.00 10.34 C ATOM 149 C HIS A 12 15.117 12.809 -0.354 1.00 52.22 C ATOM 150 O HIS A 12 15.813 12.244 0.488 1.00 62.35 O ATOM 151 CB HIS A 12 13.019 12.436 0.956 1.00 11.32 C ATOM 152 CG HIS A 12 11.738 12.995 1.495 1.00 40.22 C ATOM 153 ND1 HIS A 12 11.325 12.810 2.797 1.00 0.33 N ATOM 154 CD2 HIS A 12 10.777 13.740 0.899 1.00 23.22 C ATOM 155 CE1 HIS A 12 10.165 13.415 2.979 1.00 11.42 C ATOM 156 NE2 HIS A 12 9.811 13.988 1.843 1.00 73.44 N ATOM 0 H HIS A 12 12.792 14.644 -1.358 1.00 74.33 H new ATOM 0 HA HIS A 12 13.919 14.341 0.534 1.00 10.34 H new ATOM 0 HB2 HIS A 12 12.805 11.511 0.421 1.00 11.32 H new ATOM 0 HB3 HIS A 12 13.673 12.179 1.789 1.00 11.32 H new ATOM 0 HD1 HIS A 12 11.835 12.287 3.509 1.00 0.33 H new ATOM 0 HD2 HIS A 12 10.771 14.076 -0.127 1.00 23.22 H new ATOM 0 HE1 HIS A 12 9.602 13.437 3.900 1.00 11.42 H new ATOM 164 N ASN A 13 15.487 12.950 -1.623 1.00 75.00 N ATOM 165 CA ASN A 13 16.761 12.435 -2.109 1.00 64.02 C ATOM 166 C ASN A 13 17.259 13.250 -3.299 1.00 4.22 C ATOM 167 O ASN A 13 18.218 12.868 -3.970 1.00 5.42 O ATOM 168 CB ASN A 13 16.623 10.964 -2.507 1.00 13.11 C ATOM 169 CG ASN A 13 17.835 10.452 -3.261 1.00 52.31 C ATOM 170 OD1 ASN A 13 17.633 10.075 -4.518 1.00 71.15 O flip ATOM 171 ND2 ASN A 13 18.939 10.397 -2.719 1.00 43.34 N flip ATOM 0 H ASN A 13 14.922 13.417 -2.333 1.00 75.00 H new ATOM 0 HA ASN A 13 17.489 12.519 -1.302 1.00 64.02 H new ATOM 0 HB2 ASN A 13 16.474 10.361 -1.611 1.00 13.11 H new ATOM 0 HB3 ASN A 13 15.734 10.840 -3.126 1.00 13.11 H new ATOM 0 HD21 ASN A 13 19.047 10.698 -1.750 1.00 43.34 H new ATOM 0 HD22 ASN A 13 19.746 10.051 -3.239 1.00 43.34 H new ATOM 178 N LYS A 14 16.601 14.376 -3.554 1.00 64.15 N ATOM 179 CA LYS A 14 16.977 15.248 -4.661 1.00 71.43 C ATOM 180 C LYS A 14 16.816 14.530 -5.998 1.00 11.13 C ATOM 181 O LYS A 14 15.902 14.828 -6.767 1.00 11.03 O ATOM 182 CB LYS A 14 18.422 15.722 -4.496 1.00 44.30 C ATOM 183 CG LYS A 14 19.040 16.248 -5.780 1.00 4.31 C ATOM 184 CD LYS A 14 19.955 17.432 -5.514 1.00 40.22 C ATOM 185 CE LYS A 14 19.164 18.669 -5.115 1.00 64.12 C ATOM 186 NZ LYS A 14 19.713 19.904 -5.741 1.00 25.25 N ATOM 0 H LYS A 14 15.805 14.706 -3.009 1.00 64.15 H new ATOM 0 HA LYS A 14 16.314 16.113 -4.650 1.00 71.43 H new ATOM 0 HB2 LYS A 14 18.454 16.506 -3.739 1.00 44.30 H new ATOM 0 HB3 LYS A 14 19.027 14.895 -4.124 1.00 44.30 H new ATOM 0 HG2 LYS A 14 19.605 15.452 -6.266 1.00 4.31 H new ATOM 0 HG3 LYS A 14 18.250 16.545 -6.470 1.00 4.31 H new ATOM 0 HD2 LYS A 14 20.659 17.178 -4.722 1.00 40.22 H new ATOM 0 HD3 LYS A 14 20.543 17.647 -6.406 1.00 40.22 H new ATOM 0 HE2 LYS A 14 18.122 18.545 -5.410 1.00 64.12 H new ATOM 0 HE3 LYS A 14 19.178 18.775 -4.030 1.00 64.12 H new ATOM 0 HZ1 LYS A 14 19.236 20.737 -5.341 1.00 25.25 H new ATOM 0 HZ2 LYS A 14 20.734 19.965 -5.551 1.00 25.25 H new ATOM 0 HZ3 LYS A 14 19.553 19.873 -6.768 1.00 25.25 H new ATOM 200 N ASP A 15 17.708 13.584 -6.267 1.00 22.51 N ATOM 201 CA ASP A 15 17.663 12.822 -7.509 1.00 63.45 C ATOM 202 C ASP A 15 16.224 12.624 -7.974 1.00 53.01 C ATOM 203 O ASP A 15 15.946 12.606 -9.173 1.00 31.34 O ATOM 204 CB ASP A 15 18.344 11.464 -7.325 1.00 53.23 C ATOM 205 CG ASP A 15 19.484 11.251 -8.301 1.00 41.12 C ATOM 206 OD1 ASP A 15 20.621 11.656 -7.982 1.00 2.01 O ATOM 207 OD2 ASP A 15 19.239 10.680 -9.385 1.00 23.02 O ATOM 0 H ASP A 15 18.471 13.326 -5.642 1.00 22.51 H new ATOM 0 HA ASP A 15 18.198 13.388 -8.272 1.00 63.45 H new ATOM 0 HB2 ASP A 15 18.723 11.386 -6.306 1.00 53.23 H new ATOM 0 HB3 ASP A 15 17.607 10.671 -7.453 1.00 53.23 H new ATOM 212 N GLU A 16 15.313 12.476 -7.017 1.00 23.42 N ATOM 213 CA GLU A 16 13.903 12.277 -7.329 1.00 52.31 C ATOM 214 C GLU A 16 13.177 13.615 -7.443 1.00 4.04 C ATOM 215 O GLU A 16 12.327 13.801 -8.313 1.00 34.31 O ATOM 216 CB GLU A 16 13.237 11.413 -6.257 1.00 33.24 C ATOM 217 CG GLU A 16 14.223 10.754 -5.307 1.00 70.52 C ATOM 218 CD GLU A 16 13.711 9.436 -4.757 1.00 4.42 C ATOM 219 OE1 GLU A 16 12.597 9.422 -4.194 1.00 13.43 O ATOM 220 OE2 GLU A 16 14.425 8.420 -4.889 1.00 1.43 O ATOM 0 H GLU A 16 15.527 12.490 -6.020 1.00 23.42 H new ATOM 0 HA GLU A 16 13.839 11.765 -8.289 1.00 52.31 H new ATOM 0 HB2 GLU A 16 12.548 12.031 -5.681 1.00 33.24 H new ATOM 0 HB3 GLU A 16 12.642 10.640 -6.743 1.00 33.24 H new ATOM 0 HG2 GLU A 16 15.166 10.585 -5.828 1.00 70.52 H new ATOM 0 HG3 GLU A 16 14.433 11.432 -4.480 1.00 70.52 H new ATOM 227 N PHE A 17 13.520 14.544 -6.556 1.00 51.13 N ATOM 228 CA PHE A 17 12.901 15.865 -6.555 1.00 31.51 C ATOM 229 C PHE A 17 12.998 16.512 -7.933 1.00 44.21 C ATOM 230 O PHE A 17 12.116 17.268 -8.339 1.00 51.42 O ATOM 231 CB PHE A 17 13.566 16.762 -5.509 1.00 70.20 C ATOM 232 CG PHE A 17 14.151 18.020 -6.084 1.00 13.34 C ATOM 233 CD1 PHE A 17 15.283 17.973 -6.880 1.00 65.22 C ATOM 234 CD2 PHE A 17 13.567 19.251 -5.828 1.00 25.34 C ATOM 235 CE1 PHE A 17 15.824 19.129 -7.409 1.00 51.54 C ATOM 236 CE2 PHE A 17 14.103 20.411 -6.354 1.00 63.14 C ATOM 237 CZ PHE A 17 15.232 20.350 -7.147 1.00 64.12 C ATOM 0 H PHE A 17 14.223 14.407 -5.829 1.00 51.13 H new ATOM 0 HA PHE A 17 11.847 15.745 -6.303 1.00 31.51 H new ATOM 0 HB2 PHE A 17 12.831 17.027 -4.749 1.00 70.20 H new ATOM 0 HB3 PHE A 17 14.354 16.200 -5.008 1.00 70.20 H new ATOM 0 HD1 PHE A 17 15.749 17.021 -7.090 1.00 65.22 H new ATOM 0 HD2 PHE A 17 12.683 19.304 -5.210 1.00 25.34 H new ATOM 0 HE1 PHE A 17 16.709 19.079 -8.027 1.00 51.54 H new ATOM 0 HE2 PHE A 17 13.640 21.364 -6.145 1.00 63.14 H new ATOM 0 HZ PHE A 17 15.651 21.255 -7.562 1.00 64.12 H new ATOM 247 N ASP A 18 14.077 16.210 -8.647 1.00 4.52 N ATOM 248 CA ASP A 18 14.291 16.762 -9.980 1.00 4.23 C ATOM 249 C ASP A 18 13.317 16.153 -10.983 1.00 14.23 C ATOM 250 O ASP A 18 12.873 16.821 -11.916 1.00 43.33 O ATOM 251 CB ASP A 18 15.731 16.513 -10.433 1.00 12.31 C ATOM 252 CG ASP A 18 16.605 17.744 -10.287 1.00 34.51 C ATOM 253 OD1 ASP A 18 16.139 18.847 -10.641 1.00 63.32 O ATOM 254 OD2 ASP A 18 17.754 17.603 -9.819 1.00 43.12 O ATOM 0 H ASP A 18 14.817 15.586 -8.325 1.00 4.52 H new ATOM 0 HA ASP A 18 14.113 17.836 -9.934 1.00 4.23 H new ATOM 0 HB2 ASP A 18 16.157 15.697 -9.849 1.00 12.31 H new ATOM 0 HB3 ASP A 18 15.731 16.193 -11.475 1.00 12.31 H new ATOM 259 N ALA A 19 12.988 14.881 -10.783 1.00 63.15 N ATOM 260 CA ALA A 19 12.066 14.182 -11.670 1.00 13.23 C ATOM 261 C ALA A 19 10.732 14.916 -11.763 1.00 22.01 C ATOM 262 O ALA A 19 10.045 14.845 -12.781 1.00 73.40 O ATOM 263 CB ALA A 19 11.852 12.754 -11.190 1.00 2.33 C ATOM 0 H ALA A 19 13.346 14.314 -10.015 1.00 63.15 H new ATOM 0 HA ALA A 19 12.508 14.156 -12.666 1.00 13.23 H new ATOM 0 HB1 ALA A 19 11.161 12.244 -11.862 1.00 2.33 H new ATOM 0 HB2 ALA A 19 12.806 12.226 -11.181 1.00 2.33 H new ATOM 0 HB3 ALA A 19 11.435 12.767 -10.183 1.00 2.33 H new ATOM 269 N GLN A 20 10.373 15.620 -10.694 1.00 23.40 N ATOM 270 CA GLN A 20 9.121 16.365 -10.656 1.00 53.00 C ATOM 271 C GLN A 20 9.341 17.820 -11.055 1.00 50.43 C ATOM 272 O GLN A 20 8.665 18.340 -11.943 1.00 33.34 O ATOM 273 CB GLN A 20 8.503 16.295 -9.258 1.00 42.13 C ATOM 274 CG GLN A 20 7.521 15.148 -9.084 1.00 14.41 C ATOM 275 CD GLN A 20 8.053 13.836 -9.625 1.00 2.14 C ATOM 276 OE1 GLN A 20 7.455 13.229 -10.513 1.00 33.21 O ATOM 277 NE2 GLN A 20 9.185 13.391 -9.090 1.00 55.04 N ATOM 0 H GLN A 20 10.932 15.690 -9.843 1.00 23.40 H new ATOM 0 HA GLN A 20 8.436 15.911 -11.372 1.00 53.00 H new ATOM 0 HB2 GLN A 20 9.301 16.194 -8.522 1.00 42.13 H new ATOM 0 HB3 GLN A 20 7.992 17.235 -9.048 1.00 42.13 H new ATOM 0 HG2 GLN A 20 7.288 15.032 -8.026 1.00 14.41 H new ATOM 0 HG3 GLN A 20 6.588 15.394 -9.591 1.00 14.41 H new ATOM 0 HE21 GLN A 20 9.647 13.927 -8.356 1.00 55.04 H new ATOM 0 HE22 GLN A 20 9.592 12.513 -9.414 1.00 55.04 H new ATOM 286 N MET A 21 10.291 18.473 -10.394 1.00 21.03 N ATOM 287 CA MET A 21 10.601 19.869 -10.681 1.00 34.12 C ATOM 288 C MET A 21 10.778 20.089 -12.180 1.00 2.13 C ATOM 289 O MET A 21 10.593 21.199 -12.681 1.00 62.43 O ATOM 290 CB MET A 21 11.868 20.296 -9.937 1.00 74.11 C ATOM 291 CG MET A 21 11.752 21.658 -9.273 1.00 3.40 C ATOM 292 SD MET A 21 11.203 21.551 -7.559 1.00 12.30 S ATOM 293 CE MET A 21 9.878 20.354 -7.702 1.00 43.12 C ATOM 0 H MET A 21 10.860 18.058 -9.656 1.00 21.03 H new ATOM 0 HA MET A 21 9.765 20.479 -10.339 1.00 34.12 H new ATOM 0 HB2 MET A 21 12.103 19.550 -9.178 1.00 74.11 H new ATOM 0 HB3 MET A 21 12.703 20.312 -10.637 1.00 74.11 H new ATOM 0 HG2 MET A 21 12.719 22.159 -9.310 1.00 3.40 H new ATOM 0 HG3 MET A 21 11.052 22.274 -9.837 1.00 3.40 H new ATOM 0 HE1 MET A 21 9.312 20.325 -6.771 1.00 43.12 H new ATOM 0 HE2 MET A 21 9.217 20.639 -8.520 1.00 43.12 H new ATOM 0 HE3 MET A 21 10.298 19.368 -7.902 1.00 43.12 H new ATOM 303 N THR A 22 11.139 19.025 -12.891 1.00 55.43 N ATOM 304 CA THR A 22 11.342 19.103 -14.332 1.00 45.22 C ATOM 305 C THR A 22 10.084 18.692 -15.089 1.00 25.24 C ATOM 306 O THR A 22 9.922 19.014 -16.266 1.00 14.24 O ATOM 307 CB THR A 22 12.514 18.210 -14.783 1.00 12.02 C ATOM 308 OG1 THR A 22 13.687 19.006 -14.985 1.00 20.32 O ATOM 309 CG2 THR A 22 12.168 17.472 -16.067 1.00 63.42 C ATOM 0 H THR A 22 11.297 18.100 -12.492 1.00 55.43 H new ATOM 0 HA THR A 22 11.577 20.142 -14.562 1.00 45.22 H new ATOM 0 HB THR A 22 12.705 17.476 -14.001 1.00 12.02 H new ATOM 0 HG1 THR A 22 14.428 18.431 -15.270 1.00 20.32 H new ATOM 0 HG21 THR A 22 13.010 16.848 -16.366 1.00 63.42 H new ATOM 0 HG22 THR A 22 11.292 16.845 -15.901 1.00 63.42 H new ATOM 0 HG23 THR A 22 11.953 18.194 -16.855 1.00 63.42 H new ATOM 317 N LYS A 23 9.196 17.978 -14.405 1.00 51.25 N ATOM 318 CA LYS A 23 7.950 17.524 -15.012 1.00 21.33 C ATOM 319 C LYS A 23 6.888 18.618 -14.959 1.00 25.31 C ATOM 320 O LYS A 23 5.692 18.337 -15.016 1.00 14.31 O ATOM 321 CB LYS A 23 7.440 16.269 -14.299 1.00 64.23 C ATOM 322 CG LYS A 23 7.649 14.991 -15.094 1.00 54.31 C ATOM 323 CD LYS A 23 7.858 13.795 -14.181 1.00 60.34 C ATOM 324 CE LYS A 23 9.147 13.059 -14.514 1.00 73.53 C ATOM 325 NZ LYS A 23 8.993 12.183 -15.709 1.00 34.11 N ATOM 0 H LYS A 23 9.316 17.701 -13.431 1.00 51.25 H new ATOM 0 HA LYS A 23 8.149 17.286 -16.057 1.00 21.33 H new ATOM 0 HB2 LYS A 23 7.946 16.176 -13.338 1.00 64.23 H new ATOM 0 HB3 LYS A 23 6.377 16.387 -14.089 1.00 64.23 H new ATOM 0 HG2 LYS A 23 6.785 14.814 -15.735 1.00 54.31 H new ATOM 0 HG3 LYS A 23 8.513 15.106 -15.749 1.00 54.31 H new ATOM 0 HD2 LYS A 23 7.885 14.128 -13.144 1.00 60.34 H new ATOM 0 HD3 LYS A 23 7.013 13.112 -14.274 1.00 60.34 H new ATOM 0 HE2 LYS A 23 9.942 13.782 -14.694 1.00 73.53 H new ATOM 0 HE3 LYS A 23 9.452 12.456 -13.659 1.00 73.53 H new ATOM 0 HZ1 LYS A 23 9.893 11.699 -15.903 1.00 34.11 H new ATOM 0 HZ2 LYS A 23 8.252 11.476 -15.528 1.00 34.11 H new ATOM 0 HZ3 LYS A 23 8.727 12.761 -16.531 1.00 34.11 H new ATOM 339 N ALA A 24 7.335 19.865 -14.851 1.00 21.30 N ATOM 340 CA ALA A 24 6.423 21.001 -14.794 1.00 63.53 C ATOM 341 C ALA A 24 6.721 21.999 -15.908 1.00 14.34 C ATOM 342 O ALA A 24 5.814 22.462 -16.600 1.00 35.41 O ATOM 343 CB ALA A 24 6.511 21.680 -13.436 1.00 14.12 C ATOM 0 H ALA A 24 8.323 20.114 -14.801 1.00 21.30 H new ATOM 0 HA ALA A 24 5.408 20.630 -14.936 1.00 63.53 H new ATOM 0 HB1 ALA A 24 5.825 22.526 -13.407 1.00 14.12 H new ATOM 0 HB2 ALA A 24 6.242 20.968 -12.655 1.00 14.12 H new ATOM 0 HB3 ALA A 24 7.529 22.032 -13.271 1.00 14.12 H new ATOM 349 N LYS A 25 7.997 22.329 -16.075 1.00 12.32 N ATOM 350 CA LYS A 25 8.415 23.273 -17.104 1.00 50.14 C ATOM 351 C LYS A 25 8.134 22.719 -18.497 1.00 73.33 C ATOM 352 O LYS A 25 7.681 23.443 -19.383 1.00 35.10 O ATOM 353 CB LYS A 25 9.906 23.589 -16.961 1.00 74.30 C ATOM 354 CG LYS A 25 10.782 22.352 -16.863 1.00 44.41 C ATOM 355 CD LYS A 25 11.816 22.488 -15.757 1.00 71.25 C ATOM 356 CE LYS A 25 12.450 23.870 -15.753 1.00 53.54 C ATOM 357 NZ LYS A 25 13.852 23.836 -15.253 1.00 12.42 N ATOM 0 H LYS A 25 8.760 21.956 -15.510 1.00 12.32 H new ATOM 0 HA LYS A 25 7.841 24.191 -16.974 1.00 50.14 H new ATOM 0 HB2 LYS A 25 10.226 24.184 -17.816 1.00 74.30 H new ATOM 0 HB3 LYS A 25 10.056 24.202 -16.072 1.00 74.30 H new ATOM 0 HG2 LYS A 25 10.159 21.478 -16.675 1.00 44.41 H new ATOM 0 HG3 LYS A 25 11.286 22.185 -17.815 1.00 44.41 H new ATOM 0 HD2 LYS A 25 11.345 22.300 -14.792 1.00 71.25 H new ATOM 0 HD3 LYS A 25 12.590 21.732 -15.886 1.00 71.25 H new ATOM 0 HE2 LYS A 25 12.435 24.279 -16.763 1.00 53.54 H new ATOM 0 HE3 LYS A 25 11.858 24.539 -15.129 1.00 53.54 H new ATOM 0 HZ1 LYS A 25 14.249 24.797 -15.266 1.00 12.42 H new ATOM 0 HZ2 LYS A 25 13.865 23.469 -14.280 1.00 12.42 H new ATOM 0 HZ3 LYS A 25 14.423 23.218 -15.864 1.00 12.42 H new ATOM 371 N GLU A 26 8.404 21.430 -18.682 1.00 43.45 N ATOM 372 CA GLU A 26 8.179 20.780 -19.968 1.00 40.31 C ATOM 373 C GLU A 26 6.740 20.285 -20.083 1.00 2.13 C ATOM 374 O GLU A 26 6.104 20.429 -21.126 1.00 64.24 O ATOM 375 CB GLU A 26 9.149 19.611 -20.150 1.00 75.40 C ATOM 376 CG GLU A 26 9.499 18.903 -18.852 1.00 33.30 C ATOM 377 CD GLU A 26 9.812 17.433 -19.055 1.00 73.00 C ATOM 378 OE1 GLU A 26 8.860 16.627 -19.111 1.00 34.55 O ATOM 379 OE2 GLU A 26 11.008 17.089 -19.158 1.00 54.20 O ATOM 0 H GLU A 26 8.778 20.816 -17.958 1.00 43.45 H new ATOM 0 HA GLU A 26 8.356 21.515 -20.754 1.00 40.31 H new ATOM 0 HB2 GLU A 26 8.711 18.890 -20.840 1.00 75.40 H new ATOM 0 HB3 GLU A 26 10.065 19.979 -20.612 1.00 75.40 H new ATOM 0 HG2 GLU A 26 10.358 19.394 -18.395 1.00 33.30 H new ATOM 0 HG3 GLU A 26 8.668 19.001 -18.154 1.00 33.30 H new ATOM 386 N ALA A 27 6.234 19.701 -19.002 1.00 31.23 N ATOM 387 CA ALA A 27 4.871 19.185 -18.980 1.00 14.55 C ATOM 388 C ALA A 27 3.857 20.305 -19.190 1.00 50.14 C ATOM 389 O ALA A 27 2.786 20.088 -19.755 1.00 71.32 O ATOM 390 CB ALA A 27 4.600 18.466 -17.667 1.00 34.14 C ATOM 0 H ALA A 27 6.748 19.573 -18.130 1.00 31.23 H new ATOM 0 HA ALA A 27 4.765 18.475 -19.800 1.00 14.55 H new ATOM 0 HB1 ALA A 27 3.578 18.086 -17.664 1.00 34.14 H new ATOM 0 HB2 ALA A 27 5.297 17.635 -17.557 1.00 34.14 H new ATOM 0 HB3 ALA A 27 4.730 19.161 -16.838 1.00 34.14 H new ATOM 396 N GLY A 28 4.203 21.504 -18.732 1.00 15.33 N ATOM 397 CA GLY A 28 3.311 22.640 -18.879 1.00 42.01 C ATOM 398 C GLY A 28 2.359 22.785 -17.709 1.00 12.42 C ATOM 399 O GLY A 28 1.201 23.167 -17.884 1.00 23.42 O ATOM 0 H GLY A 28 5.085 21.709 -18.262 1.00 15.33 H new ATOM 0 HA2 GLY A 28 3.901 23.551 -18.978 1.00 42.01 H new ATOM 0 HA3 GLY A 28 2.737 22.530 -19.799 1.00 42.01 H new ATOM 403 N LYS A 29 2.845 22.479 -16.511 1.00 3.42 N ATOM 404 CA LYS A 29 2.030 22.577 -15.306 1.00 1.12 C ATOM 405 C LYS A 29 2.808 23.242 -14.175 1.00 25.21 C ATOM 406 O LYS A 29 4.038 23.296 -14.202 1.00 21.40 O ATOM 407 CB LYS A 29 1.561 21.188 -14.868 1.00 61.45 C ATOM 408 CG LYS A 29 2.686 20.293 -14.375 1.00 55.44 C ATOM 409 CD LYS A 29 2.225 18.854 -14.218 1.00 60.11 C ATOM 410 CE LYS A 29 1.483 18.368 -15.454 1.00 30.13 C ATOM 411 NZ LYS A 29 1.592 16.892 -15.621 1.00 51.24 N ATOM 0 H LYS A 29 3.800 22.161 -16.349 1.00 3.42 H new ATOM 0 HA LYS A 29 1.160 23.192 -15.536 1.00 1.12 H new ATOM 0 HB2 LYS A 29 0.821 21.297 -14.075 1.00 61.45 H new ATOM 0 HB3 LYS A 29 1.062 20.701 -15.706 1.00 61.45 H new ATOM 0 HG2 LYS A 29 3.519 20.335 -15.076 1.00 55.44 H new ATOM 0 HG3 LYS A 29 3.055 20.664 -13.419 1.00 55.44 H new ATOM 0 HD2 LYS A 29 3.087 18.213 -14.034 1.00 60.11 H new ATOM 0 HD3 LYS A 29 1.575 18.772 -13.347 1.00 60.11 H new ATOM 0 HE2 LYS A 29 0.432 18.649 -15.381 1.00 30.13 H new ATOM 0 HE3 LYS A 29 1.885 18.864 -16.337 1.00 30.13 H new ATOM 0 HZ1 LYS A 29 1.074 16.600 -16.474 1.00 51.24 H new ATOM 0 HZ2 LYS A 29 2.593 16.626 -15.716 1.00 51.24 H new ATOM 0 HZ3 LYS A 29 1.186 16.418 -14.789 1.00 51.24 H new ATOM 425 N VAL A 30 2.084 23.746 -13.181 1.00 23.24 N ATOM 426 CA VAL A 30 2.707 24.405 -12.039 1.00 23.43 C ATOM 427 C VAL A 30 3.411 23.395 -11.139 1.00 11.24 C ATOM 428 O VAL A 30 3.126 22.198 -11.188 1.00 44.44 O ATOM 429 CB VAL A 30 1.672 25.184 -11.206 1.00 74.35 C ATOM 430 CG1 VAL A 30 1.834 24.875 -9.726 1.00 64.31 C ATOM 431 CG2 VAL A 30 1.796 26.678 -11.465 1.00 24.44 C ATOM 0 H VAL A 30 1.065 23.711 -13.143 1.00 23.24 H new ATOM 0 HA VAL A 30 3.441 25.105 -12.439 1.00 23.43 H new ATOM 0 HB VAL A 30 0.674 24.867 -11.510 1.00 74.35 H new ATOM 0 HG11 VAL A 30 1.094 25.435 -9.154 1.00 64.31 H new ATOM 0 HG12 VAL A 30 1.690 23.808 -9.559 1.00 64.31 H new ATOM 0 HG13 VAL A 30 2.835 25.161 -9.402 1.00 64.31 H new ATOM 0 HG21 VAL A 30 1.057 27.213 -10.868 1.00 24.44 H new ATOM 0 HG22 VAL A 30 2.796 27.013 -11.190 1.00 24.44 H new ATOM 0 HG23 VAL A 30 1.624 26.880 -12.522 1.00 24.44 H new ATOM 441 N VAL A 31 4.331 23.886 -10.315 1.00 24.03 N ATOM 442 CA VAL A 31 5.076 23.027 -9.401 1.00 55.30 C ATOM 443 C VAL A 31 4.689 23.301 -7.952 1.00 31.10 C ATOM 444 O VAL A 31 4.426 24.443 -7.574 1.00 44.22 O ATOM 445 CB VAL A 31 6.595 23.221 -9.561 1.00 1.12 C ATOM 446 CG1 VAL A 31 7.339 22.607 -8.385 1.00 34.24 C ATOM 447 CG2 VAL A 31 7.073 22.623 -10.875 1.00 72.23 C ATOM 0 H VAL A 31 4.579 24.874 -10.261 1.00 24.03 H new ATOM 0 HA VAL A 31 4.821 21.998 -9.654 1.00 55.30 H new ATOM 0 HB VAL A 31 6.807 24.290 -9.576 1.00 1.12 H new ATOM 0 HG11 VAL A 31 8.411 22.754 -8.516 1.00 34.24 H new ATOM 0 HG12 VAL A 31 7.017 23.086 -7.461 1.00 34.24 H new ATOM 0 HG13 VAL A 31 7.123 21.540 -8.335 1.00 34.24 H new ATOM 0 HG21 VAL A 31 8.149 22.769 -10.971 1.00 72.23 H new ATOM 0 HG22 VAL A 31 6.849 21.556 -10.892 1.00 72.23 H new ATOM 0 HG23 VAL A 31 6.564 23.114 -11.705 1.00 72.23 H new ATOM 457 N ILE A 32 4.656 22.246 -7.145 1.00 4.02 N ATOM 458 CA ILE A 32 4.303 22.373 -5.736 1.00 44.13 C ATOM 459 C ILE A 32 5.155 21.451 -4.871 1.00 24.03 C ATOM 460 O ILE A 32 4.871 20.259 -4.749 1.00 51.14 O ATOM 461 CB ILE A 32 2.816 22.053 -5.498 1.00 11.24 C ATOM 462 CG1 ILE A 32 1.936 22.885 -6.433 1.00 43.12 C ATOM 463 CG2 ILE A 32 2.445 22.311 -4.045 1.00 22.12 C ATOM 464 CD1 ILE A 32 1.399 22.103 -7.611 1.00 55.21 C ATOM 0 H ILE A 32 4.869 21.294 -7.442 1.00 4.02 H new ATOM 0 HA ILE A 32 4.493 23.409 -5.455 1.00 44.13 H new ATOM 0 HB ILE A 32 2.648 20.998 -5.715 1.00 11.24 H new ATOM 0 HG12 ILE A 32 1.099 23.292 -5.865 1.00 43.12 H new ATOM 0 HG13 ILE A 32 2.512 23.733 -6.802 1.00 43.12 H new ATOM 0 HG21 ILE A 32 1.391 22.080 -3.892 1.00 22.12 H new ATOM 0 HG22 ILE A 32 3.052 21.679 -3.397 1.00 22.12 H new ATOM 0 HG23 ILE A 32 2.626 23.358 -3.804 1.00 22.12 H new ATOM 0 HD11 ILE A 32 0.784 22.755 -8.231 1.00 55.21 H new ATOM 0 HD12 ILE A 32 2.230 21.719 -8.202 1.00 55.21 H new ATOM 0 HD13 ILE A 32 0.795 21.270 -7.250 1.00 55.21 H new ATOM 476 N ILE A 33 6.200 22.011 -4.270 1.00 31.21 N ATOM 477 CA ILE A 33 7.092 21.239 -3.413 1.00 15.42 C ATOM 478 C ILE A 33 6.758 21.451 -1.940 1.00 74.11 C ATOM 479 O ILE A 33 6.691 22.585 -1.465 1.00 34.32 O ATOM 480 CB ILE A 33 8.566 21.614 -3.652 1.00 61.13 C ATOM 481 CG1 ILE A 33 8.763 22.107 -5.087 1.00 41.41 C ATOM 482 CG2 ILE A 33 9.468 20.422 -3.368 1.00 1.33 C ATOM 483 CD1 ILE A 33 8.782 23.615 -5.210 1.00 65.13 C ATOM 0 H ILE A 33 6.450 22.996 -4.361 1.00 31.21 H new ATOM 0 HA ILE A 33 6.946 20.190 -3.669 1.00 15.42 H new ATOM 0 HB ILE A 33 8.836 22.420 -2.970 1.00 61.13 H new ATOM 0 HG12 ILE A 33 9.700 21.707 -5.475 1.00 41.41 H new ATOM 0 HG13 ILE A 33 7.964 21.709 -5.712 1.00 41.41 H new ATOM 0 HG21 ILE A 33 10.507 20.702 -3.541 1.00 1.33 H new ATOM 0 HG22 ILE A 33 9.344 20.111 -2.331 1.00 1.33 H new ATOM 0 HG23 ILE A 33 9.200 19.597 -4.028 1.00 1.33 H new ATOM 0 HD11 ILE A 33 8.925 23.893 -6.254 1.00 65.13 H new ATOM 0 HD12 ILE A 33 7.836 24.021 -4.853 1.00 65.13 H new ATOM 0 HD13 ILE A 33 9.599 24.019 -4.612 1.00 65.13 H new ATOM 495 N ASP A 34 6.551 20.352 -1.222 1.00 51.44 N ATOM 496 CA ASP A 34 6.227 20.417 0.198 1.00 31.30 C ATOM 497 C ASP A 34 7.467 20.166 1.050 1.00 20.32 C ATOM 498 O ASP A 34 7.790 19.022 1.373 1.00 44.33 O ATOM 499 CB ASP A 34 5.141 19.396 0.542 1.00 22.30 C ATOM 500 CG ASP A 34 5.079 19.095 2.027 1.00 52.14 C ATOM 501 OD1 ASP A 34 4.619 19.970 2.790 1.00 71.32 O ATOM 502 OD2 ASP A 34 5.491 17.985 2.426 1.00 54.45 O ATOM 0 H ASP A 34 6.602 19.406 -1.600 1.00 51.44 H new ATOM 0 HA ASP A 34 5.855 21.418 0.416 1.00 31.30 H new ATOM 0 HB2 ASP A 34 4.174 19.773 0.210 1.00 22.30 H new ATOM 0 HB3 ASP A 34 5.328 18.472 -0.006 1.00 22.30 H new ATOM 507 N PHE A 35 8.159 21.242 1.411 1.00 75.41 N ATOM 508 CA PHE A 35 9.365 21.138 2.224 1.00 53.11 C ATOM 509 C PHE A 35 9.039 20.598 3.613 1.00 23.04 C ATOM 510 O PHE A 35 7.969 20.031 3.838 1.00 41.24 O ATOM 511 CB PHE A 35 10.045 22.504 2.342 1.00 73.34 C ATOM 512 CG PHE A 35 10.898 22.853 1.156 1.00 71.32 C ATOM 513 CD1 PHE A 35 12.104 22.206 0.939 1.00 30.22 C ATOM 514 CD2 PHE A 35 10.494 23.827 0.258 1.00 51.15 C ATOM 515 CE1 PHE A 35 12.891 22.526 -0.151 1.00 23.32 C ATOM 516 CE2 PHE A 35 11.277 24.151 -0.835 1.00 31.15 C ATOM 517 CZ PHE A 35 12.477 23.498 -1.039 1.00 53.54 C ATOM 0 H PHE A 35 7.905 22.196 1.153 1.00 75.41 H new ATOM 0 HA PHE A 35 10.046 20.442 1.733 1.00 53.11 H new ATOM 0 HB2 PHE A 35 9.281 23.271 2.469 1.00 73.34 H new ATOM 0 HB3 PHE A 35 10.662 22.517 3.240 1.00 73.34 H new ATOM 0 HD1 PHE A 35 12.433 21.443 1.629 1.00 30.22 H new ATOM 0 HD2 PHE A 35 9.556 24.340 0.413 1.00 51.15 H new ATOM 0 HE1 PHE A 35 13.830 22.016 -0.308 1.00 23.32 H new ATOM 0 HE2 PHE A 35 10.951 24.913 -1.528 1.00 31.15 H new ATOM 0 HZ PHE A 35 13.090 23.748 -1.892 1.00 53.54 H new ATOM 527 N THR A 36 9.971 20.777 4.545 1.00 50.23 N ATOM 528 CA THR A 36 9.786 20.307 5.912 1.00 54.13 C ATOM 529 C THR A 36 11.113 20.250 6.658 1.00 4.44 C ATOM 530 O THR A 36 12.139 19.872 6.093 1.00 53.02 O ATOM 531 CB THR A 36 9.132 18.913 5.943 1.00 63.55 C ATOM 532 OG1 THR A 36 9.366 18.290 7.211 1.00 61.13 O ATOM 533 CG2 THR A 36 9.683 18.032 4.831 1.00 51.34 C ATOM 0 H THR A 36 10.862 21.244 4.377 1.00 50.23 H new ATOM 0 HA THR A 36 9.126 21.021 6.405 1.00 54.13 H new ATOM 0 HB THR A 36 8.060 19.036 5.791 1.00 63.55 H new ATOM 0 HG1 THR A 36 8.872 18.771 7.908 1.00 61.13 H new ATOM 0 HG21 THR A 36 9.206 17.053 4.873 1.00 51.34 H new ATOM 0 HG22 THR A 36 9.478 18.494 3.865 1.00 51.34 H new ATOM 0 HG23 THR A 36 10.760 17.917 4.957 1.00 51.34 H new ATOM 541 N ALA A 37 11.087 20.628 7.932 1.00 1.33 N ATOM 542 CA ALA A 37 12.289 20.618 8.757 1.00 32.52 C ATOM 543 C ALA A 37 12.626 19.203 9.217 1.00 45.31 C ATOM 544 O ALA A 37 12.043 18.230 8.741 1.00 70.33 O ATOM 545 CB ALA A 37 12.114 21.537 9.957 1.00 73.11 C ATOM 0 H ALA A 37 10.247 20.945 8.415 1.00 1.33 H new ATOM 0 HA ALA A 37 13.119 20.984 8.152 1.00 32.52 H new ATOM 0 HB1 ALA A 37 13.019 21.519 10.564 1.00 73.11 H new ATOM 0 HB2 ALA A 37 11.928 22.554 9.612 1.00 73.11 H new ATOM 0 HB3 ALA A 37 11.269 21.197 10.556 1.00 73.11 H new ATOM 551 N SER A 38 13.572 19.098 10.145 1.00 64.42 N ATOM 552 CA SER A 38 13.991 17.801 10.665 1.00 11.55 C ATOM 553 C SER A 38 12.847 17.120 11.410 1.00 73.12 C ATOM 554 O SER A 38 12.676 15.904 11.327 1.00 34.42 O ATOM 555 CB SER A 38 15.193 17.966 11.597 1.00 45.43 C ATOM 556 OG SER A 38 15.829 16.722 11.834 1.00 2.40 O ATOM 0 H SER A 38 14.062 19.894 10.552 1.00 64.42 H new ATOM 0 HA SER A 38 14.277 17.174 9.821 1.00 11.55 H new ATOM 0 HB2 SER A 38 15.905 18.664 11.157 1.00 45.43 H new ATOM 0 HB3 SER A 38 14.867 18.397 12.543 1.00 45.43 H new ATOM 0 HG SER A 38 16.532 16.582 11.166 1.00 2.40 H new ATOM 562 N TRP A 39 12.067 17.912 12.136 1.00 51.51 N ATOM 563 CA TRP A 39 10.938 17.386 12.896 1.00 44.44 C ATOM 564 C TRP A 39 9.626 17.989 12.408 1.00 54.21 C ATOM 565 O TRP A 39 8.709 17.267 12.015 1.00 73.04 O ATOM 566 CB TRP A 39 11.123 17.673 14.387 1.00 52.34 C ATOM 567 CG TRP A 39 12.482 17.305 14.899 1.00 63.33 C ATOM 568 CD1 TRP A 39 12.866 16.098 15.410 1.00 20.11 C ATOM 569 CD2 TRP A 39 13.637 18.150 14.950 1.00 33.05 C ATOM 570 NE1 TRP A 39 14.190 16.142 15.777 1.00 54.13 N ATOM 571 CE2 TRP A 39 14.685 17.390 15.504 1.00 23.51 C ATOM 572 CE3 TRP A 39 13.887 19.474 14.581 1.00 4.22 C ATOM 573 CZ2 TRP A 39 15.962 17.912 15.697 1.00 35.42 C ATOM 574 CZ3 TRP A 39 15.154 19.991 14.774 1.00 64.02 C ATOM 575 CH2 TRP A 39 16.179 19.211 15.327 1.00 73.12 C ATOM 0 H TRP A 39 12.195 18.921 12.215 1.00 51.51 H new ATOM 0 HA TRP A 39 10.899 16.307 12.743 1.00 44.44 H new ATOM 0 HB2 TRP A 39 10.949 18.733 14.570 1.00 52.34 H new ATOM 0 HB3 TRP A 39 10.369 17.124 14.951 1.00 52.34 H new ATOM 0 HD1 TRP A 39 12.224 15.236 15.511 1.00 20.11 H new ATOM 0 HE1 TRP A 39 14.718 15.371 16.186 1.00 54.13 H new ATOM 0 HE3 TRP A 39 13.104 20.083 14.153 1.00 4.22 H new ATOM 0 HZ2 TRP A 39 16.753 17.313 16.124 1.00 35.42 H new ATOM 0 HZ3 TRP A 39 15.358 21.014 14.494 1.00 64.02 H new ATOM 0 HH2 TRP A 39 17.159 19.644 15.464 1.00 73.12 H new ATOM 586 N CYS A 40 9.542 19.315 12.436 1.00 72.52 N ATOM 587 CA CYS A 40 8.340 20.014 11.997 1.00 55.05 C ATOM 588 C CYS A 40 7.680 19.283 10.831 1.00 4.22 C ATOM 589 O CYS A 40 8.310 19.038 9.803 1.00 11.01 O ATOM 590 CB CYS A 40 8.679 21.448 11.588 1.00 3.23 C ATOM 591 SG CYS A 40 7.377 22.648 11.953 1.00 34.13 S ATOM 0 H CYS A 40 10.292 19.927 12.758 1.00 72.52 H new ATOM 0 HA CYS A 40 7.639 20.038 12.831 1.00 55.05 H new ATOM 0 HB2 CYS A 40 9.593 21.753 12.098 1.00 3.23 H new ATOM 0 HB3 CYS A 40 8.888 21.469 10.519 1.00 3.23 H new ATOM 0 HG CYS A 40 7.758 23.831 11.573 1.00 34.13 H new ATOM 597 N GLY A 41 6.408 18.936 11.001 1.00 41.05 N ATOM 598 CA GLY A 41 5.685 18.235 9.956 1.00 62.13 C ATOM 599 C GLY A 41 4.696 17.229 10.510 1.00 62.41 C ATOM 600 O GLY A 41 5.064 16.132 10.931 1.00 61.30 O ATOM 0 H GLY A 41 5.865 19.128 11.843 1.00 41.05 H new ATOM 0 HA2 GLY A 41 5.154 18.959 9.337 1.00 62.13 H new ATOM 0 HA3 GLY A 41 6.396 17.722 9.308 1.00 62.13 H new ATOM 604 N PRO A 42 3.408 17.601 10.516 1.00 13.21 N ATOM 605 CA PRO A 42 2.336 16.738 11.022 1.00 64.45 C ATOM 606 C PRO A 42 2.086 15.535 10.118 1.00 40.23 C ATOM 607 O PRO A 42 2.011 14.399 10.587 1.00 64.11 O ATOM 608 CB PRO A 42 1.115 17.659 11.036 1.00 54.52 C ATOM 609 CG PRO A 42 1.407 18.693 10.003 1.00 24.51 C ATOM 610 CD PRO A 42 2.897 18.894 10.030 1.00 63.03 C ATOM 0 HA PRO A 42 2.579 16.316 11.997 1.00 64.45 H new ATOM 0 HB2 PRO A 42 0.203 17.111 10.800 1.00 54.52 H new ATOM 0 HB3 PRO A 42 0.971 18.110 12.018 1.00 54.52 H new ATOM 0 HG2 PRO A 42 1.075 18.365 9.018 1.00 24.51 H new ATOM 0 HG3 PRO A 42 0.883 19.623 10.223 1.00 24.51 H new ATOM 0 HD2 PRO A 42 3.288 19.134 9.041 1.00 63.03 H new ATOM 0 HD3 PRO A 42 3.180 19.712 10.692 1.00 63.03 H new ATOM 618 N CYS A 43 1.958 15.793 8.821 1.00 73.51 N ATOM 619 CA CYS A 43 1.715 14.730 7.851 1.00 42.40 C ATOM 620 C CYS A 43 0.732 13.704 8.404 1.00 61.45 C ATOM 621 O CYS A 43 0.859 12.507 8.145 1.00 31.53 O ATOM 622 CB CYS A 43 3.030 14.045 7.475 1.00 53.01 C ATOM 623 SG CYS A 43 4.249 15.149 6.723 1.00 31.43 S ATOM 0 H CYS A 43 2.018 16.728 8.417 1.00 73.51 H new ATOM 0 HA CYS A 43 1.279 15.178 6.958 1.00 42.40 H new ATOM 0 HB2 CYS A 43 3.463 13.598 8.370 1.00 53.01 H new ATOM 0 HB3 CYS A 43 2.818 13.230 6.783 1.00 53.01 H new ATOM 0 HG CYS A 43 5.327 14.479 6.443 1.00 31.43 H new ATOM 629 N ARG A 44 -0.246 14.180 9.166 1.00 35.23 N ATOM 630 CA ARG A 44 -1.250 13.303 9.758 1.00 64.20 C ATOM 631 C ARG A 44 -2.648 13.892 9.599 1.00 33.22 C ATOM 632 O ARG A 44 -3.543 13.254 9.043 1.00 25.22 O ATOM 633 CB ARG A 44 -0.947 13.073 11.240 1.00 64.23 C ATOM 634 CG ARG A 44 0.006 11.916 11.494 1.00 4.52 C ATOM 635 CD ARG A 44 -0.457 11.059 12.662 1.00 41.42 C ATOM 636 NE ARG A 44 0.665 10.552 13.447 1.00 11.13 N ATOM 637 CZ ARG A 44 0.521 9.857 14.570 1.00 1.33 C ATOM 638 NH1 ARG A 44 -0.690 9.588 15.037 1.00 55.32 N ATOM 639 NH2 ARG A 44 1.591 9.430 15.229 1.00 73.30 N ATOM 0 H ARG A 44 -0.365 15.168 9.389 1.00 35.23 H new ATOM 0 HA ARG A 44 -1.216 12.347 9.235 1.00 64.20 H new ATOM 0 HB2 ARG A 44 -0.520 13.983 11.660 1.00 64.23 H new ATOM 0 HB3 ARG A 44 -1.882 12.886 11.769 1.00 64.23 H new ATOM 0 HG2 ARG A 44 0.081 11.301 10.597 1.00 4.52 H new ATOM 0 HG3 ARG A 44 1.004 12.303 11.699 1.00 4.52 H new ATOM 0 HD2 ARG A 44 -1.113 11.646 13.305 1.00 41.42 H new ATOM 0 HD3 ARG A 44 -1.045 10.221 12.286 1.00 41.42 H new ATOM 0 HE ARG A 44 1.611 10.742 13.115 1.00 11.13 H new ATOM 0 HH11 ARG A 44 -1.515 9.915 14.534 1.00 55.32 H new ATOM 0 HH12 ARG A 44 -0.797 9.054 15.900 1.00 55.32 H new ATOM 0 HH21 ARG A 44 2.525 9.635 14.873 1.00 73.30 H new ATOM 0 HH22 ARG A 44 1.480 8.896 16.091 1.00 73.30 H new ATOM 653 N PHE A 45 -2.830 15.113 10.092 1.00 70.51 N ATOM 654 CA PHE A 45 -4.120 15.787 10.006 1.00 0.23 C ATOM 655 C PHE A 45 -4.416 16.214 8.572 1.00 51.53 C ATOM 656 O PHE A 45 -5.538 16.065 8.087 1.00 34.35 O ATOM 657 CB PHE A 45 -4.143 17.008 10.929 1.00 73.41 C ATOM 658 CG PHE A 45 -5.351 17.881 10.738 1.00 65.41 C ATOM 659 CD1 PHE A 45 -5.410 18.783 9.689 1.00 41.53 C ATOM 660 CD2 PHE A 45 -6.426 17.799 11.608 1.00 62.50 C ATOM 661 CE1 PHE A 45 -6.520 19.588 9.510 1.00 44.12 C ATOM 662 CE2 PHE A 45 -7.538 18.600 11.434 1.00 51.12 C ATOM 663 CZ PHE A 45 -7.585 19.497 10.384 1.00 24.23 C ATOM 0 H PHE A 45 -2.101 15.655 10.555 1.00 70.51 H new ATOM 0 HA PHE A 45 -4.891 15.085 10.323 1.00 0.23 H new ATOM 0 HB2 PHE A 45 -4.108 16.671 11.965 1.00 73.41 H new ATOM 0 HB3 PHE A 45 -3.245 17.601 10.756 1.00 73.41 H new ATOM 0 HD1 PHE A 45 -4.580 18.859 9.003 1.00 41.53 H new ATOM 0 HD2 PHE A 45 -6.394 17.101 12.432 1.00 62.50 H new ATOM 0 HE1 PHE A 45 -6.554 20.287 8.687 1.00 44.12 H new ATOM 0 HE2 PHE A 45 -8.370 18.525 12.118 1.00 51.12 H new ATOM 0 HZ PHE A 45 -8.453 20.125 10.247 1.00 24.23 H new ATOM 673 N ILE A 46 -3.402 16.747 7.898 1.00 13.32 N ATOM 674 CA ILE A 46 -3.553 17.196 6.520 1.00 73.24 C ATOM 675 C ILE A 46 -2.899 16.219 5.549 1.00 72.52 C ATOM 676 O ILE A 46 -2.759 16.508 4.361 1.00 3.21 O ATOM 677 CB ILE A 46 -2.942 18.594 6.312 1.00 11.23 C ATOM 678 CG1 ILE A 46 -3.626 19.306 5.143 1.00 35.34 C ATOM 679 CG2 ILE A 46 -1.444 18.487 6.070 1.00 21.13 C ATOM 680 CD1 ILE A 46 -3.633 20.813 5.274 1.00 70.34 C ATOM 0 H ILE A 46 -2.467 16.878 8.284 1.00 13.32 H new ATOM 0 HA ILE A 46 -4.623 17.243 6.320 1.00 73.24 H new ATOM 0 HB ILE A 46 -3.104 19.182 7.215 1.00 11.23 H new ATOM 0 HG12 ILE A 46 -3.122 19.032 4.216 1.00 35.34 H new ATOM 0 HG13 ILE A 46 -4.654 18.952 5.063 1.00 35.34 H new ATOM 0 HG21 ILE A 46 -1.027 19.483 5.925 1.00 21.13 H new ATOM 0 HG22 ILE A 46 -0.969 18.017 6.931 1.00 21.13 H new ATOM 0 HG23 ILE A 46 -1.261 17.884 5.181 1.00 21.13 H new ATOM 0 HD11 ILE A 46 -4.134 21.251 4.410 1.00 70.34 H new ATOM 0 HD12 ILE A 46 -4.163 21.097 6.183 1.00 70.34 H new ATOM 0 HD13 ILE A 46 -2.607 21.179 5.323 1.00 70.34 H new ATOM 692 N ALA A 47 -2.503 15.059 6.063 1.00 63.24 N ATOM 693 CA ALA A 47 -1.867 14.037 5.241 1.00 71.54 C ATOM 694 C ALA A 47 -2.752 13.653 4.060 1.00 75.22 C ATOM 695 O ALA A 47 -2.337 13.695 2.902 1.00 41.33 O ATOM 696 CB ALA A 47 -1.543 12.810 6.081 1.00 73.14 C ATOM 0 H ALA A 47 -2.611 14.804 7.045 1.00 63.24 H new ATOM 0 HA ALA A 47 -0.938 14.449 4.847 1.00 71.54 H new ATOM 0 HB1 ALA A 47 -1.068 12.055 5.454 1.00 73.14 H new ATOM 0 HB2 ALA A 47 -0.866 13.090 6.888 1.00 73.14 H new ATOM 0 HB3 ALA A 47 -2.463 12.405 6.503 1.00 73.14 H new ATOM 702 N PRO A 48 -4.003 13.268 4.357 1.00 65.11 N ATOM 703 CA PRO A 48 -4.972 12.869 3.333 1.00 75.12 C ATOM 704 C PRO A 48 -5.433 14.046 2.480 1.00 1.33 C ATOM 705 O PRO A 48 -6.310 13.904 1.628 1.00 32.55 O ATOM 706 CB PRO A 48 -6.141 12.311 4.149 1.00 22.42 C ATOM 707 CG PRO A 48 -6.035 12.986 5.473 1.00 60.02 C ATOM 708 CD PRO A 48 -4.566 13.193 5.716 1.00 45.34 C ATOM 0 HA PRO A 48 -4.547 12.155 2.627 1.00 75.12 H new ATOM 0 HB2 PRO A 48 -7.096 12.526 3.670 1.00 22.42 H new ATOM 0 HB3 PRO A 48 -6.072 11.228 4.250 1.00 22.42 H new ATOM 0 HG2 PRO A 48 -6.568 13.937 5.470 1.00 60.02 H new ATOM 0 HG3 PRO A 48 -6.478 12.375 6.259 1.00 60.02 H new ATOM 0 HD2 PRO A 48 -4.377 14.106 6.280 1.00 45.34 H new ATOM 0 HD3 PRO A 48 -4.133 12.371 6.286 1.00 45.34 H new ATOM 716 N VAL A 49 -4.835 15.210 2.715 1.00 51.34 N ATOM 717 CA VAL A 49 -5.183 16.413 1.967 1.00 61.42 C ATOM 718 C VAL A 49 -4.166 16.688 0.865 1.00 72.55 C ATOM 719 O VAL A 49 -4.532 16.948 -0.282 1.00 33.32 O ATOM 720 CB VAL A 49 -5.268 17.643 2.890 1.00 73.42 C ATOM 721 CG1 VAL A 49 -5.106 18.925 2.087 1.00 34.35 C ATOM 722 CG2 VAL A 49 -6.584 17.645 3.654 1.00 62.42 C ATOM 0 H VAL A 49 -4.108 15.345 3.417 1.00 51.34 H new ATOM 0 HA VAL A 49 -6.161 16.236 1.519 1.00 61.42 H new ATOM 0 HB VAL A 49 -4.454 17.591 3.613 1.00 73.42 H new ATOM 0 HG11 VAL A 49 -5.169 19.784 2.756 1.00 34.35 H new ATOM 0 HG12 VAL A 49 -4.136 18.923 1.590 1.00 34.35 H new ATOM 0 HG13 VAL A 49 -5.897 18.989 1.340 1.00 34.35 H new ATOM 0 HG21 VAL A 49 -6.628 18.521 4.301 1.00 62.42 H new ATOM 0 HG22 VAL A 49 -7.414 17.674 2.948 1.00 62.42 H new ATOM 0 HG23 VAL A 49 -6.654 16.742 4.260 1.00 62.42 H new ATOM 732 N PHE A 50 -2.887 16.628 1.219 1.00 61.30 N ATOM 733 CA PHE A 50 -1.816 16.871 0.260 1.00 63.22 C ATOM 734 C PHE A 50 -1.829 15.822 -0.848 1.00 74.23 C ATOM 735 O PHE A 50 -2.189 16.113 -1.989 1.00 24.13 O ATOM 736 CB PHE A 50 -0.459 16.865 0.966 1.00 25.24 C ATOM 737 CG PHE A 50 -0.337 17.908 2.040 1.00 41.43 C ATOM 738 CD1 PHE A 50 -1.309 18.884 2.189 1.00 52.32 C ATOM 739 CD2 PHE A 50 0.749 17.913 2.900 1.00 42.20 C ATOM 740 CE1 PHE A 50 -1.199 19.846 3.175 1.00 12.21 C ATOM 741 CE2 PHE A 50 0.864 18.872 3.889 1.00 43.34 C ATOM 742 CZ PHE A 50 -0.112 19.839 4.027 1.00 42.52 C ATOM 0 H PHE A 50 -2.567 16.413 2.163 1.00 61.30 H new ATOM 0 HA PHE A 50 -1.980 17.851 -0.189 1.00 63.22 H new ATOM 0 HB2 PHE A 50 -0.291 15.882 1.405 1.00 25.24 H new ATOM 0 HB3 PHE A 50 0.327 17.022 0.227 1.00 25.24 H new ATOM 0 HD1 PHE A 50 -2.162 18.893 1.527 1.00 52.32 H new ATOM 0 HD2 PHE A 50 1.515 17.159 2.797 1.00 42.20 H new ATOM 0 HE1 PHE A 50 -1.962 20.603 3.279 1.00 12.21 H new ATOM 0 HE2 PHE A 50 1.716 18.865 4.553 1.00 43.34 H new ATOM 0 HZ PHE A 50 -0.026 20.588 4.800 1.00 42.52 H new ATOM 752 N ALA A 51 -1.435 14.600 -0.503 1.00 40.45 N ATOM 753 CA ALA A 51 -1.403 13.507 -1.467 1.00 40.43 C ATOM 754 C ALA A 51 -2.689 13.459 -2.285 1.00 72.21 C ATOM 755 O ALA A 51 -2.652 13.371 -3.512 1.00 22.32 O ATOM 756 CB ALA A 51 -1.178 12.182 -0.755 1.00 23.01 C ATOM 0 H ALA A 51 -1.134 14.342 0.437 1.00 40.45 H new ATOM 0 HA ALA A 51 -0.574 13.684 -2.152 1.00 40.43 H new ATOM 0 HB1 ALA A 51 -1.156 11.375 -1.487 1.00 23.01 H new ATOM 0 HB2 ALA A 51 -0.229 12.213 -0.221 1.00 23.01 H new ATOM 0 HB3 ALA A 51 -1.988 12.008 -0.046 1.00 23.01 H new ATOM 762 N GLU A 52 -3.825 13.516 -1.597 1.00 31.01 N ATOM 763 CA GLU A 52 -5.123 13.477 -2.261 1.00 64.31 C ATOM 764 C GLU A 52 -5.301 14.683 -3.178 1.00 51.32 C ATOM 765 O GLU A 52 -5.956 14.596 -4.217 1.00 71.51 O ATOM 766 CB GLU A 52 -6.249 13.438 -1.226 1.00 72.34 C ATOM 767 CG GLU A 52 -6.846 14.802 -0.924 1.00 44.13 C ATOM 768 CD GLU A 52 -8.059 14.721 -0.019 1.00 31.24 C ATOM 769 OE1 GLU A 52 -8.887 13.807 -0.218 1.00 53.51 O ATOM 770 OE2 GLU A 52 -8.181 15.570 0.889 1.00 61.21 O ATOM 0 H GLU A 52 -3.873 13.589 -0.581 1.00 31.01 H new ATOM 0 HA GLU A 52 -5.166 12.572 -2.867 1.00 64.31 H new ATOM 0 HB2 GLU A 52 -7.038 12.777 -1.585 1.00 72.34 H new ATOM 0 HB3 GLU A 52 -5.866 13.005 -0.302 1.00 72.34 H new ATOM 0 HG2 GLU A 52 -6.089 15.430 -0.455 1.00 44.13 H new ATOM 0 HG3 GLU A 52 -7.127 15.286 -1.859 1.00 44.13 H new ATOM 777 N TYR A 53 -4.715 15.809 -2.786 1.00 24.30 N ATOM 778 CA TYR A 53 -4.811 17.034 -3.570 1.00 43.22 C ATOM 779 C TYR A 53 -3.985 16.929 -4.848 1.00 44.15 C ATOM 780 O TYR A 53 -4.440 17.306 -5.928 1.00 32.41 O ATOM 781 CB TYR A 53 -4.341 18.232 -2.743 1.00 22.10 C ATOM 782 CG TYR A 53 -5.416 18.811 -1.852 1.00 1.34 C ATOM 783 CD1 TYR A 53 -6.606 18.129 -1.633 1.00 15.03 C ATOM 784 CD2 TYR A 53 -5.242 20.041 -1.229 1.00 41.21 C ATOM 785 CE1 TYR A 53 -7.592 18.655 -0.820 1.00 21.44 C ATOM 786 CE2 TYR A 53 -6.221 20.574 -0.413 1.00 72.33 C ATOM 787 CZ TYR A 53 -7.394 19.877 -0.212 1.00 34.12 C ATOM 788 OH TYR A 53 -8.373 20.405 0.599 1.00 60.20 O ATOM 0 H TYR A 53 -4.168 15.898 -1.930 1.00 24.30 H new ATOM 0 HA TYR A 53 -5.856 17.178 -3.845 1.00 43.22 H new ATOM 0 HB2 TYR A 53 -3.495 17.928 -2.127 1.00 22.10 H new ATOM 0 HB3 TYR A 53 -3.982 19.010 -3.417 1.00 22.10 H new ATOM 0 HD1 TYR A 53 -6.763 17.171 -2.106 1.00 15.03 H new ATOM 0 HD2 TYR A 53 -4.325 20.590 -1.386 1.00 41.21 H new ATOM 0 HE1 TYR A 53 -8.512 18.112 -0.662 1.00 21.44 H new ATOM 0 HE2 TYR A 53 -6.069 21.531 0.065 1.00 72.33 H new ATOM 0 HH TYR A 53 -8.514 21.348 0.371 1.00 60.20 H new ATOM 798 N ALA A 54 -2.767 16.414 -4.717 1.00 64.24 N ATOM 799 CA ALA A 54 -1.877 16.256 -5.861 1.00 62.00 C ATOM 800 C ALA A 54 -2.632 15.728 -7.076 1.00 14.12 C ATOM 801 O ALA A 54 -2.430 16.195 -8.197 1.00 34.00 O ATOM 802 CB ALA A 54 -0.725 15.327 -5.509 1.00 24.31 C ATOM 0 H ALA A 54 -2.374 16.099 -3.830 1.00 64.24 H new ATOM 0 HA ALA A 54 -1.474 17.237 -6.114 1.00 62.00 H new ATOM 0 HB1 ALA A 54 -0.069 15.218 -6.372 1.00 24.31 H new ATOM 0 HB2 ALA A 54 -0.162 15.746 -4.675 1.00 24.31 H new ATOM 0 HB3 ALA A 54 -1.118 14.350 -5.227 1.00 24.31 H new ATOM 808 N LYS A 55 -3.503 14.751 -6.846 1.00 54.23 N ATOM 809 CA LYS A 55 -4.291 14.159 -7.921 1.00 45.14 C ATOM 810 C LYS A 55 -5.470 15.054 -8.289 1.00 2.12 C ATOM 811 O LYS A 55 -5.791 15.224 -9.465 1.00 73.42 O ATOM 812 CB LYS A 55 -4.796 12.775 -7.508 1.00 53.14 C ATOM 813 CG LYS A 55 -3.721 11.892 -6.899 1.00 74.53 C ATOM 814 CD LYS A 55 -4.323 10.800 -6.030 1.00 71.24 C ATOM 815 CE LYS A 55 -5.265 9.909 -6.827 1.00 5.24 C ATOM 816 NZ LYS A 55 -4.551 8.754 -7.438 1.00 43.34 N ATOM 0 H LYS A 55 -3.681 14.352 -5.924 1.00 54.23 H new ATOM 0 HA LYS A 55 -3.648 14.058 -8.796 1.00 45.14 H new ATOM 0 HB2 LYS A 55 -5.607 12.893 -6.790 1.00 53.14 H new ATOM 0 HB3 LYS A 55 -5.214 12.274 -8.381 1.00 53.14 H new ATOM 0 HG2 LYS A 55 -3.127 11.440 -7.693 1.00 74.53 H new ATOM 0 HG3 LYS A 55 -3.043 12.502 -6.301 1.00 74.53 H new ATOM 0 HD2 LYS A 55 -3.525 10.195 -5.600 1.00 71.24 H new ATOM 0 HD3 LYS A 55 -4.864 11.252 -5.199 1.00 71.24 H new ATOM 0 HE2 LYS A 55 -6.057 9.542 -6.174 1.00 5.24 H new ATOM 0 HE3 LYS A 55 -5.744 10.496 -7.611 1.00 5.24 H new ATOM 0 HZ1 LYS A 55 -5.227 8.171 -7.972 1.00 43.34 H new ATOM 0 HZ2 LYS A 55 -3.812 9.103 -8.080 1.00 43.34 H new ATOM 0 HZ3 LYS A 55 -4.115 8.179 -6.689 1.00 43.34 H new ATOM 830 N LYS A 56 -6.111 15.626 -7.275 1.00 42.22 N ATOM 831 CA LYS A 56 -7.253 16.507 -7.491 1.00 21.52 C ATOM 832 C LYS A 56 -6.901 17.626 -8.465 1.00 5.55 C ATOM 833 O LYS A 56 -7.760 18.120 -9.195 1.00 45.52 O ATOM 834 CB LYS A 56 -7.723 17.101 -6.161 1.00 44.32 C ATOM 835 CG LYS A 56 -8.269 16.068 -5.192 1.00 33.31 C ATOM 836 CD LYS A 56 -9.667 16.430 -4.720 1.00 12.54 C ATOM 837 CE LYS A 56 -9.681 17.768 -3.995 1.00 32.30 C ATOM 838 NZ LYS A 56 -11.014 18.427 -4.073 1.00 40.25 N ATOM 0 H LYS A 56 -5.859 15.495 -6.295 1.00 42.22 H new ATOM 0 HA LYS A 56 -8.060 15.916 -7.923 1.00 21.52 H new ATOM 0 HB2 LYS A 56 -6.889 17.623 -5.691 1.00 44.32 H new ATOM 0 HB3 LYS A 56 -8.494 17.845 -6.358 1.00 44.32 H new ATOM 0 HG2 LYS A 56 -8.288 15.090 -5.674 1.00 33.31 H new ATOM 0 HG3 LYS A 56 -7.604 15.987 -4.333 1.00 33.31 H new ATOM 0 HD2 LYS A 56 -10.342 16.471 -5.575 1.00 12.54 H new ATOM 0 HD3 LYS A 56 -10.041 15.651 -4.056 1.00 12.54 H new ATOM 0 HE2 LYS A 56 -9.411 17.618 -2.950 1.00 32.30 H new ATOM 0 HE3 LYS A 56 -8.926 18.424 -4.428 1.00 32.30 H new ATOM 0 HZ1 LYS A 56 -10.982 19.335 -3.567 1.00 40.25 H new ATOM 0 HZ2 LYS A 56 -11.261 18.594 -5.069 1.00 40.25 H new ATOM 0 HZ3 LYS A 56 -11.731 17.813 -3.637 1.00 40.25 H new ATOM 852 N PHE A 57 -5.632 18.022 -8.470 1.00 62.25 N ATOM 853 CA PHE A 57 -5.166 19.083 -9.355 1.00 41.32 C ATOM 854 C PHE A 57 -4.198 18.535 -10.400 1.00 0.13 C ATOM 855 O PHE A 57 -2.983 18.511 -10.204 1.00 64.14 O ATOM 856 CB PHE A 57 -4.487 20.190 -8.546 1.00 31.05 C ATOM 857 CG PHE A 57 -5.438 21.245 -8.057 1.00 34.54 C ATOM 858 CD1 PHE A 57 -6.091 21.099 -6.843 1.00 72.33 C ATOM 859 CD2 PHE A 57 -5.680 22.382 -8.811 1.00 31.52 C ATOM 860 CE1 PHE A 57 -6.967 22.067 -6.390 1.00 40.43 C ATOM 861 CE2 PHE A 57 -6.554 23.354 -8.363 1.00 34.32 C ATOM 862 CZ PHE A 57 -7.200 23.196 -7.152 1.00 25.13 C ATOM 0 H PHE A 57 -4.908 17.624 -7.871 1.00 62.25 H new ATOM 0 HA PHE A 57 -6.032 19.498 -9.870 1.00 41.32 H new ATOM 0 HB2 PHE A 57 -3.980 19.745 -7.690 1.00 31.05 H new ATOM 0 HB3 PHE A 57 -3.720 20.661 -9.161 1.00 31.05 H new ATOM 0 HD1 PHE A 57 -5.913 20.218 -6.244 1.00 72.33 H new ATOM 0 HD2 PHE A 57 -5.180 22.510 -9.760 1.00 31.52 H new ATOM 0 HE1 PHE A 57 -7.469 21.941 -5.442 1.00 40.43 H new ATOM 0 HE2 PHE A 57 -6.732 24.237 -8.959 1.00 34.32 H new ATOM 0 HZ PHE A 57 -7.886 23.953 -6.802 1.00 25.13 H new ATOM 872 N PRO A 58 -4.748 18.083 -11.536 1.00 55.33 N ATOM 873 CA PRO A 58 -3.953 17.527 -12.635 1.00 22.14 C ATOM 874 C PRO A 58 -3.121 18.590 -13.345 1.00 34.24 C ATOM 875 O PRO A 58 -2.372 18.288 -14.273 1.00 13.32 O ATOM 876 CB PRO A 58 -5.009 16.953 -13.582 1.00 60.13 C ATOM 877 CG PRO A 58 -6.240 17.744 -13.302 1.00 22.24 C ATOM 878 CD PRO A 58 -6.190 18.082 -11.837 1.00 60.51 C ATOM 0 HA PRO A 58 -3.231 16.790 -12.283 1.00 22.14 H new ATOM 0 HB2 PRO A 58 -4.703 17.053 -14.623 1.00 60.13 H new ATOM 0 HB3 PRO A 58 -5.171 15.891 -13.398 1.00 60.13 H new ATOM 0 HG2 PRO A 58 -6.270 18.648 -13.910 1.00 22.24 H new ATOM 0 HG3 PRO A 58 -7.135 17.170 -13.540 1.00 22.24 H new ATOM 0 HD2 PRO A 58 -6.644 19.052 -11.633 1.00 60.51 H new ATOM 0 HD3 PRO A 58 -6.725 17.347 -11.236 1.00 60.51 H new ATOM 886 N GLY A 59 -3.258 19.836 -12.901 1.00 73.11 N ATOM 887 CA GLY A 59 -2.513 20.924 -13.506 1.00 11.53 C ATOM 888 C GLY A 59 -1.218 21.218 -12.774 1.00 34.52 C ATOM 889 O GLY A 59 -0.655 22.304 -12.905 1.00 74.24 O ATOM 0 H GLY A 59 -3.871 20.111 -12.134 1.00 73.11 H new ATOM 0 HA2 GLY A 59 -2.292 20.676 -14.544 1.00 11.53 H new ATOM 0 HA3 GLY A 59 -3.132 21.821 -13.518 1.00 11.53 H new ATOM 893 N ALA A 60 -0.746 20.247 -11.999 1.00 22.22 N ATOM 894 CA ALA A 60 0.491 20.406 -11.243 1.00 55.04 C ATOM 895 C ALA A 60 1.210 19.071 -11.080 1.00 13.31 C ATOM 896 O ALA A 60 0.629 18.010 -11.306 1.00 72.23 O ATOM 897 CB ALA A 60 0.202 21.022 -9.883 1.00 10.45 C ATOM 0 H ALA A 60 -1.201 19.342 -11.878 1.00 22.22 H new ATOM 0 HA ALA A 60 1.146 21.075 -11.801 1.00 55.04 H new ATOM 0 HB1 ALA A 60 1.134 21.135 -9.329 1.00 10.45 H new ATOM 0 HB2 ALA A 60 -0.261 22.000 -10.017 1.00 10.45 H new ATOM 0 HB3 ALA A 60 -0.474 20.374 -9.326 1.00 10.45 H new ATOM 903 N VAL A 61 2.478 19.132 -10.686 1.00 31.10 N ATOM 904 CA VAL A 61 3.276 17.928 -10.492 1.00 25.41 C ATOM 905 C VAL A 61 3.234 17.468 -9.039 1.00 11.21 C ATOM 906 O VAL A 61 3.214 16.270 -8.756 1.00 12.35 O ATOM 907 CB VAL A 61 4.743 18.154 -10.904 1.00 41.24 C ATOM 908 CG1 VAL A 61 4.835 18.494 -12.384 1.00 43.22 C ATOM 909 CG2 VAL A 61 5.371 19.250 -10.057 1.00 2.30 C ATOM 0 H VAL A 61 2.974 20.002 -10.495 1.00 31.10 H new ATOM 0 HA VAL A 61 2.842 17.156 -11.127 1.00 25.41 H new ATOM 0 HB VAL A 61 5.297 17.231 -10.732 1.00 41.24 H new ATOM 0 HG11 VAL A 61 5.879 18.650 -12.657 1.00 43.22 H new ATOM 0 HG12 VAL A 61 4.425 17.673 -12.972 1.00 43.22 H new ATOM 0 HG13 VAL A 61 4.267 19.403 -12.585 1.00 43.22 H new ATOM 0 HG21 VAL A 61 6.407 19.396 -10.362 1.00 2.30 H new ATOM 0 HG22 VAL A 61 4.817 20.179 -10.195 1.00 2.30 H new ATOM 0 HG23 VAL A 61 5.339 18.961 -9.006 1.00 2.30 H new ATOM 919 N PHE A 62 3.220 18.429 -8.121 1.00 31.34 N ATOM 920 CA PHE A 62 3.180 18.123 -6.695 1.00 41.22 C ATOM 921 C PHE A 62 4.374 17.264 -6.290 1.00 4.55 C ATOM 922 O PHE A 62 4.909 16.504 -7.097 1.00 24.51 O ATOM 923 CB PHE A 62 1.877 17.403 -6.343 1.00 13.44 C ATOM 924 CG PHE A 62 0.662 18.283 -6.435 1.00 64.53 C ATOM 925 CD1 PHE A 62 0.031 18.489 -7.652 1.00 23.55 C ATOM 926 CD2 PHE A 62 0.152 18.902 -5.306 1.00 53.43 C ATOM 927 CE1 PHE A 62 -1.086 19.298 -7.740 1.00 23.44 C ATOM 928 CE2 PHE A 62 -0.965 19.712 -5.388 1.00 54.32 C ATOM 929 CZ PHE A 62 -1.585 19.909 -6.606 1.00 54.25 C ATOM 0 H PHE A 62 3.236 19.425 -8.339 1.00 31.34 H new ATOM 0 HA PHE A 62 3.228 19.063 -6.145 1.00 41.22 H new ATOM 0 HB2 PHE A 62 1.750 16.551 -7.011 1.00 13.44 H new ATOM 0 HB3 PHE A 62 1.953 17.006 -5.331 1.00 13.44 H new ATOM 0 HD1 PHE A 62 0.416 18.012 -8.541 1.00 23.55 H new ATOM 0 HD2 PHE A 62 0.632 18.750 -4.351 1.00 53.43 H new ATOM 0 HE1 PHE A 62 -1.568 19.452 -8.694 1.00 23.44 H new ATOM 0 HE2 PHE A 62 -1.352 20.190 -4.501 1.00 54.32 H new ATOM 0 HZ PHE A 62 -2.459 20.540 -6.672 1.00 54.25 H new ATOM 939 N LEU A 63 4.788 17.392 -5.034 1.00 13.44 N ATOM 940 CA LEU A 63 5.919 16.629 -4.519 1.00 3.00 C ATOM 941 C LEU A 63 6.334 17.133 -3.140 1.00 62.23 C ATOM 942 O LEU A 63 6.205 18.319 -2.836 1.00 20.34 O ATOM 943 CB LEU A 63 7.102 16.719 -5.485 1.00 1.33 C ATOM 944 CG LEU A 63 8.490 16.557 -4.863 1.00 71.04 C ATOM 945 CD1 LEU A 63 9.074 15.196 -5.210 1.00 12.23 C ATOM 946 CD2 LEU A 63 9.416 17.671 -5.329 1.00 2.02 C ATOM 0 H LEU A 63 4.357 18.017 -4.353 1.00 13.44 H new ATOM 0 HA LEU A 63 5.611 15.587 -4.427 1.00 3.00 H new ATOM 0 HB2 LEU A 63 6.978 15.955 -6.252 1.00 1.33 H new ATOM 0 HB3 LEU A 63 7.062 17.685 -5.988 1.00 1.33 H new ATOM 0 HG LEU A 63 8.392 16.622 -3.779 1.00 71.04 H new ATOM 0 HD11 LEU A 63 10.062 15.098 -4.759 1.00 12.23 H new ATOM 0 HD12 LEU A 63 8.421 14.412 -4.827 1.00 12.23 H new ATOM 0 HD13 LEU A 63 9.158 15.102 -6.293 1.00 12.23 H new ATOM 0 HD21 LEU A 63 10.399 17.540 -4.877 1.00 2.02 H new ATOM 0 HD22 LEU A 63 9.509 17.637 -6.415 1.00 2.02 H new ATOM 0 HD23 LEU A 63 9.005 18.635 -5.030 1.00 2.02 H new ATOM 958 N LYS A 64 6.835 16.224 -2.310 1.00 43.33 N ATOM 959 CA LYS A 64 7.273 16.576 -0.965 1.00 23.53 C ATOM 960 C LYS A 64 8.777 16.371 -0.811 1.00 60.21 C ATOM 961 O LYS A 64 9.314 15.329 -1.189 1.00 14.04 O ATOM 962 CB LYS A 64 6.525 15.736 0.073 1.00 70.30 C ATOM 963 CG LYS A 64 7.438 14.891 0.945 1.00 71.24 C ATOM 964 CD LYS A 64 6.647 13.905 1.788 1.00 25.24 C ATOM 965 CE LYS A 64 5.592 13.185 0.963 1.00 51.53 C ATOM 966 NZ LYS A 64 5.249 11.856 1.538 1.00 34.34 N ATOM 0 H LYS A 64 6.948 15.238 -2.546 1.00 43.33 H new ATOM 0 HA LYS A 64 7.049 17.630 -0.801 1.00 23.53 H new ATOM 0 HB2 LYS A 64 5.939 16.398 0.710 1.00 70.30 H new ATOM 0 HB3 LYS A 64 5.820 15.082 -0.441 1.00 70.30 H new ATOM 0 HG2 LYS A 64 8.144 14.349 0.316 1.00 71.24 H new ATOM 0 HG3 LYS A 64 8.024 15.540 1.596 1.00 71.24 H new ATOM 0 HD2 LYS A 64 7.326 13.175 2.229 1.00 25.24 H new ATOM 0 HD3 LYS A 64 6.168 14.433 2.613 1.00 25.24 H new ATOM 0 HE2 LYS A 64 4.693 13.799 0.907 1.00 51.53 H new ATOM 0 HE3 LYS A 64 5.954 13.057 -0.057 1.00 51.53 H new ATOM 0 HZ1 LYS A 64 4.414 11.472 1.051 1.00 34.34 H new ATOM 0 HZ2 LYS A 64 6.051 11.206 1.413 1.00 34.34 H new ATOM 0 HZ3 LYS A 64 5.041 11.959 2.552 1.00 34.34 H new ATOM 980 N VAL A 65 9.452 17.371 -0.253 1.00 61.13 N ATOM 981 CA VAL A 65 10.894 17.299 -0.047 1.00 53.24 C ATOM 982 C VAL A 65 11.242 17.391 1.434 1.00 64.31 C ATOM 983 O VAL A 65 10.423 17.812 2.250 1.00 33.33 O ATOM 984 CB VAL A 65 11.626 18.422 -0.806 1.00 54.02 C ATOM 985 CG1 VAL A 65 11.311 19.777 -0.190 1.00 34.51 C ATOM 986 CG2 VAL A 65 13.125 18.168 -0.817 1.00 23.44 C ATOM 0 H VAL A 65 9.024 18.240 0.064 1.00 61.13 H new ATOM 0 HA VAL A 65 11.222 16.335 -0.435 1.00 53.24 H new ATOM 0 HB VAL A 65 11.274 18.428 -1.838 1.00 54.02 H new ATOM 0 HG11 VAL A 65 11.837 20.558 -0.740 1.00 34.51 H new ATOM 0 HG12 VAL A 65 10.237 19.959 -0.240 1.00 34.51 H new ATOM 0 HG13 VAL A 65 11.633 19.787 0.851 1.00 34.51 H new ATOM 0 HG21 VAL A 65 13.626 18.971 -1.357 1.00 23.44 H new ATOM 0 HG22 VAL A 65 13.496 18.133 0.207 1.00 23.44 H new ATOM 0 HG23 VAL A 65 13.329 17.217 -1.309 1.00 23.44 H new ATOM 996 N ASP A 66 12.464 16.994 1.774 1.00 51.41 N ATOM 997 CA ASP A 66 12.923 17.033 3.158 1.00 52.04 C ATOM 998 C ASP A 66 14.155 17.922 3.297 1.00 73.11 C ATOM 999 O ASP A 66 15.215 17.623 2.747 1.00 74.42 O ATOM 1000 CB ASP A 66 13.239 15.621 3.652 1.00 21.40 C ATOM 1001 CG ASP A 66 12.771 15.387 5.075 1.00 5.11 C ATOM 1002 OD1 ASP A 66 13.163 16.171 5.964 1.00 4.31 O ATOM 1003 OD2 ASP A 66 12.014 14.420 5.300 1.00 62.41 O ATOM 0 H ASP A 66 13.154 16.642 1.111 1.00 51.41 H new ATOM 0 HA ASP A 66 12.124 17.453 3.769 1.00 52.04 H new ATOM 0 HB2 ASP A 66 12.765 14.894 2.993 1.00 21.40 H new ATOM 0 HB3 ASP A 66 14.314 15.451 3.594 1.00 21.40 H new ATOM 1008 N VAL A 67 14.007 19.017 4.035 1.00 4.34 N ATOM 1009 CA VAL A 67 15.108 19.950 4.247 1.00 13.22 C ATOM 1010 C VAL A 67 16.051 19.450 5.336 1.00 73.25 C ATOM 1011 O VAL A 67 16.610 20.239 6.098 1.00 60.45 O ATOM 1012 CB VAL A 67 14.591 21.349 4.634 1.00 21.20 C ATOM 1013 CG1 VAL A 67 13.389 21.728 3.783 1.00 40.51 C ATOM 1014 CG2 VAL A 67 14.243 21.397 6.114 1.00 5.22 C ATOM 0 H VAL A 67 13.136 19.280 4.496 1.00 4.34 H new ATOM 0 HA VAL A 67 15.651 20.019 3.304 1.00 13.22 H new ATOM 0 HB VAL A 67 15.382 22.075 4.446 1.00 21.20 H new ATOM 0 HG11 VAL A 67 13.038 22.719 4.070 1.00 40.51 H new ATOM 0 HG12 VAL A 67 13.676 21.736 2.731 1.00 40.51 H new ATOM 0 HG13 VAL A 67 12.591 21.001 3.936 1.00 40.51 H new ATOM 0 HG21 VAL A 67 13.880 22.392 6.370 1.00 5.22 H new ATOM 0 HG22 VAL A 67 13.468 20.661 6.330 1.00 5.22 H new ATOM 0 HG23 VAL A 67 15.131 21.172 6.704 1.00 5.22 H new ATOM 1024 N ASP A 68 16.223 18.134 5.402 1.00 0.31 N ATOM 1025 CA ASP A 68 17.100 17.527 6.397 1.00 43.54 C ATOM 1026 C ASP A 68 18.113 16.599 5.734 1.00 51.04 C ATOM 1027 O ASP A 68 19.065 16.149 6.370 1.00 44.34 O ATOM 1028 CB ASP A 68 16.278 16.753 7.428 1.00 64.10 C ATOM 1029 CG ASP A 68 17.078 16.417 8.671 1.00 20.33 C ATOM 1030 OD1 ASP A 68 17.159 17.275 9.574 1.00 2.41 O ATOM 1031 OD2 ASP A 68 17.624 15.295 8.741 1.00 15.22 O ATOM 0 H ASP A 68 15.767 17.468 4.779 1.00 0.31 H new ATOM 0 HA ASP A 68 17.643 18.325 6.903 1.00 43.54 H new ATOM 0 HB2 ASP A 68 15.405 17.342 7.709 1.00 64.10 H new ATOM 0 HB3 ASP A 68 15.909 15.832 6.977 1.00 64.10 H new ATOM 1036 N GLU A 69 17.899 16.316 4.452 1.00 13.14 N ATOM 1037 CA GLU A 69 18.792 15.439 3.705 1.00 44.43 C ATOM 1038 C GLU A 69 19.248 16.104 2.409 1.00 50.12 C ATOM 1039 O GLU A 69 20.400 15.963 1.997 1.00 5.54 O ATOM 1040 CB GLU A 69 18.098 14.112 3.393 1.00 12.11 C ATOM 1041 CG GLU A 69 16.670 14.274 2.899 1.00 61.42 C ATOM 1042 CD GLU A 69 15.666 13.539 3.766 1.00 50.03 C ATOM 1043 OE1 GLU A 69 15.373 14.028 4.877 1.00 54.12 O ATOM 1044 OE2 GLU A 69 15.174 12.476 3.334 1.00 60.22 O ATOM 0 H GLU A 69 17.116 16.681 3.910 1.00 13.14 H new ATOM 0 HA GLU A 69 19.669 15.245 4.323 1.00 44.43 H new ATOM 0 HB2 GLU A 69 18.676 13.578 2.639 1.00 12.11 H new ATOM 0 HB3 GLU A 69 18.095 13.493 4.290 1.00 12.11 H new ATOM 0 HG2 GLU A 69 16.416 15.334 2.874 1.00 61.42 H new ATOM 0 HG3 GLU A 69 16.599 13.905 1.876 1.00 61.42 H new ATOM 1051 N LEU A 70 18.336 16.828 1.770 1.00 74.22 N ATOM 1052 CA LEU A 70 18.642 17.515 0.520 1.00 61.32 C ATOM 1053 C LEU A 70 18.329 19.004 0.626 1.00 62.22 C ATOM 1054 O LEU A 70 18.123 19.679 -0.382 1.00 54.45 O ATOM 1055 CB LEU A 70 17.849 16.896 -0.633 1.00 0.13 C ATOM 1056 CG LEU A 70 16.396 17.352 -0.768 1.00 73.30 C ATOM 1057 CD1 LEU A 70 15.903 17.149 -2.193 1.00 2.25 C ATOM 1058 CD2 LEU A 70 15.508 16.604 0.216 1.00 24.34 C ATOM 0 H LEU A 70 17.378 16.955 2.097 1.00 74.22 H new ATOM 0 HA LEU A 70 19.708 17.400 0.323 1.00 61.32 H new ATOM 0 HB2 LEU A 70 18.367 17.120 -1.565 1.00 0.13 H new ATOM 0 HB3 LEU A 70 17.859 15.813 -0.514 1.00 0.13 H new ATOM 0 HG LEU A 70 16.347 18.416 -0.536 1.00 73.30 H new ATOM 0 HD11 LEU A 70 14.867 17.479 -2.270 1.00 2.25 H new ATOM 0 HD12 LEU A 70 16.521 17.730 -2.878 1.00 2.25 H new ATOM 0 HD13 LEU A 70 15.967 16.092 -2.453 1.00 2.25 H new ATOM 0 HD21 LEU A 70 14.478 16.942 0.105 1.00 24.34 H new ATOM 0 HD22 LEU A 70 15.563 15.534 0.015 1.00 24.34 H new ATOM 0 HD23 LEU A 70 15.847 16.800 1.233 1.00 24.34 H new ATOM 1070 N LYS A 71 18.298 19.510 1.854 1.00 52.53 N ATOM 1071 CA LYS A 71 18.014 20.920 2.093 1.00 11.51 C ATOM 1072 C LYS A 71 18.550 21.784 0.956 1.00 4.21 C ATOM 1073 O LYS A 71 17.960 22.807 0.610 1.00 31.23 O ATOM 1074 CB LYS A 71 18.629 21.367 3.421 1.00 0.42 C ATOM 1075 CG LYS A 71 19.650 20.390 3.978 1.00 13.22 C ATOM 1076 CD LYS A 71 20.842 21.113 4.582 1.00 63.04 C ATOM 1077 CE LYS A 71 21.910 21.395 3.536 1.00 4.01 C ATOM 1078 NZ LYS A 71 22.723 22.594 3.883 1.00 64.50 N ATOM 0 H LYS A 71 18.466 18.965 2.699 1.00 52.53 H new ATOM 0 HA LYS A 71 16.932 21.044 2.140 1.00 11.51 H new ATOM 0 HB2 LYS A 71 19.105 22.338 3.283 1.00 0.42 H new ATOM 0 HB3 LYS A 71 17.833 21.504 4.153 1.00 0.42 H new ATOM 0 HG2 LYS A 71 19.180 19.764 4.737 1.00 13.22 H new ATOM 0 HG3 LYS A 71 19.990 19.726 3.184 1.00 13.22 H new ATOM 0 HD2 LYS A 71 20.512 22.051 5.029 1.00 63.04 H new ATOM 0 HD3 LYS A 71 21.267 20.510 5.384 1.00 63.04 H new ATOM 0 HE2 LYS A 71 22.564 20.528 3.441 1.00 4.01 H new ATOM 0 HE3 LYS A 71 21.437 21.545 2.565 1.00 4.01 H new ATOM 0 HZ1 LYS A 71 22.590 23.326 3.156 1.00 64.50 H new ATOM 0 HZ2 LYS A 71 22.419 22.964 4.806 1.00 64.50 H new ATOM 0 HZ3 LYS A 71 23.728 22.330 3.929 1.00 64.50 H new ATOM 1092 N GLU A 72 19.672 21.364 0.378 1.00 13.43 N ATOM 1093 CA GLU A 72 20.286 22.101 -0.720 1.00 60.43 C ATOM 1094 C GLU A 72 19.222 22.720 -1.622 1.00 3.30 C ATOM 1095 O GLU A 72 19.451 23.754 -2.251 1.00 34.14 O ATOM 1096 CB GLU A 72 21.190 21.177 -1.540 1.00 0.32 C ATOM 1097 CG GLU A 72 20.431 20.285 -2.508 1.00 24.24 C ATOM 1098 CD GLU A 72 21.299 19.187 -3.092 1.00 5.31 C ATOM 1099 OE1 GLU A 72 22.150 19.497 -3.952 1.00 55.24 O ATOM 1100 OE2 GLU A 72 21.128 18.018 -2.688 1.00 3.03 O ATOM 0 H GLU A 72 20.173 20.519 0.652 1.00 13.43 H new ATOM 0 HA GLU A 72 20.888 22.903 -0.294 1.00 60.43 H new ATOM 0 HB2 GLU A 72 21.902 21.783 -2.100 1.00 0.32 H new ATOM 0 HB3 GLU A 72 21.768 20.552 -0.860 1.00 0.32 H new ATOM 0 HG2 GLU A 72 19.582 19.836 -1.993 1.00 24.24 H new ATOM 0 HG3 GLU A 72 20.028 20.894 -3.317 1.00 24.24 H new ATOM 1107 N VAL A 73 18.059 22.080 -1.681 1.00 14.55 N ATOM 1108 CA VAL A 73 16.959 22.568 -2.504 1.00 73.12 C ATOM 1109 C VAL A 73 16.209 23.697 -1.807 1.00 53.41 C ATOM 1110 O VAL A 73 15.900 24.720 -2.417 1.00 53.43 O ATOM 1111 CB VAL A 73 15.967 21.439 -2.841 1.00 73.11 C ATOM 1112 CG1 VAL A 73 14.819 21.971 -3.686 1.00 61.21 C ATOM 1113 CG2 VAL A 73 16.679 20.299 -3.552 1.00 64.43 C ATOM 0 H VAL A 73 17.854 21.222 -1.169 1.00 14.55 H new ATOM 0 HA VAL A 73 17.398 22.944 -3.428 1.00 73.12 H new ATOM 0 HB VAL A 73 15.553 21.053 -1.910 1.00 73.11 H new ATOM 0 HG11 VAL A 73 14.128 21.159 -3.914 1.00 61.21 H new ATOM 0 HG12 VAL A 73 14.293 22.751 -3.135 1.00 61.21 H new ATOM 0 HG13 VAL A 73 15.212 22.385 -4.615 1.00 61.21 H new ATOM 0 HG21 VAL A 73 15.963 19.510 -3.782 1.00 64.43 H new ATOM 0 HG22 VAL A 73 17.123 20.668 -4.477 1.00 64.43 H new ATOM 0 HG23 VAL A 73 17.462 19.901 -2.907 1.00 64.43 H new ATOM 1123 N ALA A 74 15.919 23.505 -0.524 1.00 61.44 N ATOM 1124 CA ALA A 74 15.207 24.508 0.257 1.00 4.22 C ATOM 1125 C ALA A 74 16.042 25.775 0.415 1.00 21.41 C ATOM 1126 O ALA A 74 15.503 26.878 0.487 1.00 2.44 O ATOM 1127 CB ALA A 74 14.833 23.947 1.621 1.00 0.10 C ATOM 0 H ALA A 74 16.167 22.663 -0.004 1.00 61.44 H new ATOM 0 HA ALA A 74 14.295 24.770 -0.279 1.00 4.22 H new ATOM 0 HB1 ALA A 74 14.302 24.707 2.194 1.00 0.10 H new ATOM 0 HB2 ALA A 74 14.192 23.075 1.492 1.00 0.10 H new ATOM 0 HB3 ALA A 74 15.737 23.656 2.155 1.00 0.10 H new ATOM 1133 N GLU A 75 17.360 25.607 0.469 1.00 72.44 N ATOM 1134 CA GLU A 75 18.268 26.737 0.620 1.00 52.43 C ATOM 1135 C GLU A 75 18.209 27.649 -0.602 1.00 42.44 C ATOM 1136 O GLU A 75 18.533 28.835 -0.523 1.00 63.55 O ATOM 1137 CB GLU A 75 19.701 26.245 0.834 1.00 75.43 C ATOM 1138 CG GLU A 75 19.819 25.159 1.890 1.00 63.21 C ATOM 1139 CD GLU A 75 20.759 25.541 3.017 1.00 45.25 C ATOM 1140 OE1 GLU A 75 21.763 26.233 2.742 1.00 33.32 O ATOM 1141 OE2 GLU A 75 20.493 25.149 4.172 1.00 53.24 O ATOM 0 H GLU A 75 17.822 24.699 0.410 1.00 72.44 H new ATOM 0 HA GLU A 75 17.954 27.308 1.494 1.00 52.43 H new ATOM 0 HB2 GLU A 75 20.091 25.866 -0.111 1.00 75.43 H new ATOM 0 HB3 GLU A 75 20.327 27.090 1.121 1.00 75.43 H new ATOM 0 HG2 GLU A 75 18.832 24.948 2.301 1.00 63.21 H new ATOM 0 HG3 GLU A 75 20.173 24.240 1.423 1.00 63.21 H new ATOM 1148 N LYS A 76 17.794 27.088 -1.733 1.00 32.13 N ATOM 1149 CA LYS A 76 17.691 27.848 -2.973 1.00 2.13 C ATOM 1150 C LYS A 76 16.392 28.646 -3.016 1.00 11.13 C ATOM 1151 O LYS A 76 16.338 29.733 -3.592 1.00 64.31 O ATOM 1152 CB LYS A 76 17.765 26.909 -4.179 1.00 24.24 C ATOM 1153 CG LYS A 76 16.406 26.458 -4.683 1.00 35.33 C ATOM 1154 CD LYS A 76 16.484 25.098 -5.357 1.00 14.13 C ATOM 1155 CE LYS A 76 16.220 25.201 -6.851 1.00 62.12 C ATOM 1156 NZ LYS A 76 16.124 23.860 -7.491 1.00 63.40 N ATOM 0 H LYS A 76 17.523 26.108 -1.816 1.00 32.13 H new ATOM 0 HA LYS A 76 18.527 28.546 -3.012 1.00 2.13 H new ATOM 0 HB2 LYS A 76 18.295 27.412 -4.988 1.00 24.24 H new ATOM 0 HB3 LYS A 76 18.353 26.031 -3.910 1.00 24.24 H new ATOM 0 HG2 LYS A 76 15.705 26.412 -3.850 1.00 35.33 H new ATOM 0 HG3 LYS A 76 16.016 27.192 -5.388 1.00 35.33 H new ATOM 0 HD2 LYS A 76 17.470 24.664 -5.190 1.00 14.13 H new ATOM 0 HD3 LYS A 76 15.757 24.424 -4.904 1.00 14.13 H new ATOM 0 HE2 LYS A 76 15.294 25.751 -7.019 1.00 62.12 H new ATOM 0 HE3 LYS A 76 17.020 25.772 -7.323 1.00 62.12 H new ATOM 0 HZ1 LYS A 76 15.944 23.973 -8.509 1.00 63.40 H new ATOM 0 HZ2 LYS A 76 17.017 23.345 -7.353 1.00 63.40 H new ATOM 0 HZ3 LYS A 76 15.344 23.324 -7.059 1.00 63.40 H new ATOM 1170 N TYR A 77 15.348 28.101 -2.402 1.00 12.04 N ATOM 1171 CA TYR A 77 14.049 28.762 -2.371 1.00 35.02 C ATOM 1172 C TYR A 77 13.867 29.546 -1.074 1.00 75.45 C ATOM 1173 O TYR A 77 12.999 30.412 -0.977 1.00 34.14 O ATOM 1174 CB TYR A 77 12.926 27.734 -2.520 1.00 61.41 C ATOM 1175 CG TYR A 77 12.963 26.983 -3.832 1.00 23.21 C ATOM 1176 CD1 TYR A 77 13.389 27.605 -4.999 1.00 55.42 C ATOM 1177 CD2 TYR A 77 12.572 25.652 -3.905 1.00 24.43 C ATOM 1178 CE1 TYR A 77 13.424 26.924 -6.200 1.00 75.33 C ATOM 1179 CE2 TYR A 77 12.606 24.962 -5.101 1.00 75.20 C ATOM 1180 CZ TYR A 77 13.032 25.602 -6.246 1.00 14.10 C ATOM 1181 OH TYR A 77 13.065 24.919 -7.440 1.00 33.31 O ATOM 0 H TYR A 77 15.376 27.203 -1.919 1.00 12.04 H new ATOM 0 HA TYR A 77 14.006 29.461 -3.206 1.00 35.02 H new ATOM 0 HB2 TYR A 77 12.988 27.019 -1.700 1.00 61.41 H new ATOM 0 HB3 TYR A 77 11.966 28.241 -2.428 1.00 61.41 H new ATOM 0 HD1 TYR A 77 13.698 28.639 -4.966 1.00 55.42 H new ATOM 0 HD2 TYR A 77 12.236 25.148 -3.011 1.00 24.43 H new ATOM 0 HE1 TYR A 77 13.756 27.423 -7.098 1.00 75.33 H new ATOM 0 HE2 TYR A 77 12.301 23.927 -5.139 1.00 75.20 H new ATOM 0 HH TYR A 77 12.758 23.999 -7.299 1.00 33.31 H new ATOM 1191 N ASN A 78 14.693 29.234 -0.081 1.00 41.04 N ATOM 1192 CA ASN A 78 14.625 29.908 1.210 1.00 14.20 C ATOM 1193 C ASN A 78 13.401 29.451 1.998 1.00 22.34 C ATOM 1194 O ASN A 78 12.414 30.178 2.111 1.00 23.12 O ATOM 1195 CB ASN A 78 14.582 31.425 1.015 1.00 14.21 C ATOM 1196 CG ASN A 78 14.890 32.181 2.293 1.00 41.30 C ATOM 1197 OD1 ASN A 78 14.148 33.079 2.690 1.00 11.55 O ATOM 1198 ND2 ASN A 78 15.990 31.820 2.943 1.00 2.01 N ATOM 0 H ASN A 78 15.417 28.519 -0.146 1.00 41.04 H new ATOM 0 HA ASN A 78 15.519 29.646 1.776 1.00 14.20 H new ATOM 0 HB2 ASN A 78 15.299 31.710 0.246 1.00 14.21 H new ATOM 0 HB3 ASN A 78 13.595 31.714 0.654 1.00 14.21 H new ATOM 0 HD21 ASN A 78 16.249 32.293 3.809 1.00 2.01 H new ATOM 0 HD22 ASN A 78 16.576 31.070 2.577 1.00 2.01 H new ATOM 1205 N VAL A 79 13.474 28.240 2.543 1.00 14.20 N ATOM 1206 CA VAL A 79 12.373 27.686 3.323 1.00 64.44 C ATOM 1207 C VAL A 79 12.730 27.614 4.803 1.00 1.31 C ATOM 1208 O VAL A 79 11.940 27.143 5.620 1.00 75.45 O ATOM 1209 CB VAL A 79 11.990 26.278 2.830 1.00 62.43 C ATOM 1210 CG1 VAL A 79 12.319 26.121 1.353 1.00 74.13 C ATOM 1211 CG2 VAL A 79 12.696 25.214 3.657 1.00 73.41 C ATOM 0 H VAL A 79 14.283 27.625 2.459 1.00 14.20 H new ATOM 0 HA VAL A 79 11.522 28.354 3.190 1.00 64.44 H new ATOM 0 HB VAL A 79 10.915 26.149 2.954 1.00 62.43 H new ATOM 0 HG11 VAL A 79 12.041 25.120 1.023 1.00 74.13 H new ATOM 0 HG12 VAL A 79 11.764 26.860 0.776 1.00 74.13 H new ATOM 0 HG13 VAL A 79 13.388 26.270 1.201 1.00 74.13 H new ATOM 0 HG21 VAL A 79 12.414 24.225 3.295 1.00 73.41 H new ATOM 0 HG22 VAL A 79 13.775 25.339 3.567 1.00 73.41 H new ATOM 0 HG23 VAL A 79 12.406 25.314 4.703 1.00 73.41 H new ATOM 1221 N GLU A 80 13.926 28.086 5.142 1.00 51.44 N ATOM 1222 CA GLU A 80 14.387 28.075 6.525 1.00 41.42 C ATOM 1223 C GLU A 80 13.920 26.813 7.244 1.00 14.53 C ATOM 1224 O GLU A 80 13.732 26.813 8.460 1.00 3.05 O ATOM 1225 CB GLU A 80 13.880 29.315 7.265 1.00 51.03 C ATOM 1226 CG GLU A 80 12.535 29.815 6.764 1.00 43.00 C ATOM 1227 CD GLU A 80 11.996 30.967 7.590 1.00 25.44 C ATOM 1228 OE1 GLU A 80 11.998 30.855 8.834 1.00 2.03 O ATOM 1229 OE2 GLU A 80 11.573 31.979 6.994 1.00 62.41 O ATOM 0 H GLU A 80 14.592 28.480 4.478 1.00 51.44 H new ATOM 0 HA GLU A 80 15.477 28.086 6.518 1.00 41.42 H new ATOM 0 HB2 GLU A 80 13.800 29.086 8.328 1.00 51.03 H new ATOM 0 HB3 GLU A 80 14.615 30.113 7.165 1.00 51.03 H new ATOM 0 HG2 GLU A 80 12.633 30.132 5.726 1.00 43.00 H new ATOM 0 HG3 GLU A 80 11.818 28.994 6.780 1.00 43.00 H new ATOM 1236 N ALA A 81 13.733 25.740 6.483 1.00 52.31 N ATOM 1237 CA ALA A 81 13.289 24.472 7.047 1.00 71.42 C ATOM 1238 C ALA A 81 11.849 24.564 7.541 1.00 42.23 C ATOM 1239 O ALA A 81 11.579 25.153 8.587 1.00 71.00 O ATOM 1240 CB ALA A 81 14.211 24.046 8.180 1.00 62.14 C ATOM 0 H ALA A 81 13.882 25.724 5.474 1.00 52.31 H new ATOM 0 HA ALA A 81 13.328 23.720 6.259 1.00 71.42 H new ATOM 0 HB1 ALA A 81 13.867 23.097 8.592 1.00 62.14 H new ATOM 0 HB2 ALA A 81 15.226 23.930 7.799 1.00 62.14 H new ATOM 0 HB3 ALA A 81 14.202 24.805 8.962 1.00 62.14 H new ATOM 1246 N MET A 82 10.929 23.980 6.781 1.00 70.43 N ATOM 1247 CA MET A 82 9.516 23.996 7.142 1.00 3.45 C ATOM 1248 C MET A 82 8.670 23.332 6.061 1.00 42.31 C ATOM 1249 O MET A 82 9.108 23.142 4.926 1.00 22.21 O ATOM 1250 CB MET A 82 9.042 25.434 7.367 1.00 63.44 C ATOM 1251 CG MET A 82 8.277 26.012 6.188 1.00 75.34 C ATOM 1252 SD MET A 82 8.406 27.807 6.089 1.00 52.43 S ATOM 1253 CE MET A 82 9.653 27.987 4.816 1.00 3.40 C ATOM 0 H MET A 82 11.136 23.490 5.911 1.00 70.43 H new ATOM 0 HA MET A 82 9.397 23.432 8.067 1.00 3.45 H new ATOM 0 HB2 MET A 82 8.407 25.464 8.252 1.00 63.44 H new ATOM 0 HB3 MET A 82 9.907 26.065 7.573 1.00 63.44 H new ATOM 0 HG2 MET A 82 8.655 25.573 5.265 1.00 75.34 H new ATOM 0 HG3 MET A 82 7.227 25.731 6.268 1.00 75.34 H new ATOM 0 HE1 MET A 82 10.480 28.584 5.199 1.00 3.40 H new ATOM 0 HE2 MET A 82 10.020 27.003 4.525 1.00 3.40 H new ATOM 0 HE3 MET A 82 9.218 28.484 3.949 1.00 3.40 H new ATOM 1263 N PRO A 83 7.429 22.971 6.418 1.00 71.40 N ATOM 1264 CA PRO A 83 6.496 22.323 5.492 1.00 72.54 C ATOM 1265 C PRO A 83 6.011 23.270 4.400 1.00 40.13 C ATOM 1266 O PRO A 83 4.960 23.053 3.796 1.00 52.11 O ATOM 1267 CB PRO A 83 5.332 21.906 6.394 1.00 14.41 C ATOM 1268 CG PRO A 83 5.385 22.854 7.542 1.00 21.15 C ATOM 1269 CD PRO A 83 6.841 23.167 7.754 1.00 54.05 C ATOM 0 HA PRO A 83 6.961 21.492 4.961 1.00 72.54 H new ATOM 0 HB2 PRO A 83 4.380 21.974 5.868 1.00 14.41 H new ATOM 0 HB3 PRO A 83 5.439 20.874 6.727 1.00 14.41 H new ATOM 0 HG2 PRO A 83 4.818 23.760 7.326 1.00 21.15 H new ATOM 0 HG3 PRO A 83 4.947 22.409 8.436 1.00 21.15 H new ATOM 0 HD2 PRO A 83 6.985 24.187 8.111 1.00 54.05 H new ATOM 0 HD3 PRO A 83 7.291 22.504 8.493 1.00 54.05 H new ATOM 1277 N THR A 84 6.784 24.323 4.150 1.00 71.43 N ATOM 1278 CA THR A 84 6.433 25.304 3.131 1.00 72.21 C ATOM 1279 C THR A 84 6.165 24.631 1.789 1.00 15.53 C ATOM 1280 O THR A 84 7.030 23.949 1.242 1.00 63.43 O ATOM 1281 CB THR A 84 7.547 26.352 2.953 1.00 2.30 C ATOM 1282 OG1 THR A 84 7.169 27.581 3.583 1.00 55.21 O ATOM 1283 CG2 THR A 84 7.829 26.598 1.478 1.00 14.14 C ATOM 0 H THR A 84 7.657 24.518 4.640 1.00 71.43 H new ATOM 0 HA THR A 84 5.526 25.803 3.472 1.00 72.21 H new ATOM 0 HB THR A 84 8.454 25.968 3.421 1.00 2.30 H new ATOM 0 HG1 THR A 84 7.159 27.461 4.556 1.00 55.21 H new ATOM 0 HG21 THR A 84 8.619 27.342 1.378 1.00 14.14 H new ATOM 0 HG22 THR A 84 8.145 25.667 1.008 1.00 14.14 H new ATOM 0 HG23 THR A 84 6.925 26.962 0.990 1.00 14.14 H new ATOM 1291 N PHE A 85 4.960 24.829 1.264 1.00 41.51 N ATOM 1292 CA PHE A 85 4.578 24.242 -0.015 1.00 33.43 C ATOM 1293 C PHE A 85 5.143 25.053 -1.177 1.00 21.40 C ATOM 1294 O PHE A 85 4.460 25.290 -2.174 1.00 33.01 O ATOM 1295 CB PHE A 85 3.054 24.161 -0.128 1.00 11.23 C ATOM 1296 CG PHE A 85 2.517 22.763 -0.014 1.00 64.12 C ATOM 1297 CD1 PHE A 85 2.783 21.823 -0.997 1.00 74.00 C ATOM 1298 CD2 PHE A 85 1.747 22.389 1.075 1.00 23.41 C ATOM 1299 CE1 PHE A 85 2.291 20.535 -0.896 1.00 13.25 C ATOM 1300 CE2 PHE A 85 1.253 21.102 1.182 1.00 1.33 C ATOM 1301 CZ PHE A 85 1.524 20.175 0.195 1.00 20.12 C ATOM 0 H PHE A 85 4.232 25.391 1.704 1.00 41.51 H new ATOM 0 HA PHE A 85 4.993 23.235 -0.062 1.00 33.43 H new ATOM 0 HB2 PHE A 85 2.607 24.778 0.651 1.00 11.23 H new ATOM 0 HB3 PHE A 85 2.746 24.583 -1.085 1.00 11.23 H new ATOM 0 HD1 PHE A 85 3.382 22.100 -1.852 1.00 74.00 H new ATOM 0 HD2 PHE A 85 1.530 23.110 1.849 1.00 23.41 H new ATOM 0 HE1 PHE A 85 2.506 19.812 -1.669 1.00 13.25 H new ATOM 0 HE2 PHE A 85 0.656 20.822 2.037 1.00 1.33 H new ATOM 0 HZ PHE A 85 1.137 19.170 0.276 1.00 20.12 H new ATOM 1311 N LEU A 86 6.395 25.476 -1.041 1.00 61.54 N ATOM 1312 CA LEU A 86 7.054 26.261 -2.079 1.00 70.23 C ATOM 1313 C LEU A 86 6.560 25.856 -3.465 1.00 24.44 C ATOM 1314 O LEU A 86 6.329 24.676 -3.732 1.00 43.44 O ATOM 1315 CB LEU A 86 8.571 26.084 -1.994 1.00 40.42 C ATOM 1316 CG LEU A 86 9.409 27.331 -2.280 1.00 11.23 C ATOM 1317 CD1 LEU A 86 8.760 28.173 -3.368 1.00 31.24 C ATOM 1318 CD2 LEU A 86 9.597 28.150 -1.011 1.00 31.44 C ATOM 0 H LEU A 86 6.974 25.289 -0.222 1.00 61.54 H new ATOM 0 HA LEU A 86 6.807 27.310 -1.918 1.00 70.23 H new ATOM 0 HB2 LEU A 86 8.819 25.725 -0.995 1.00 40.42 H new ATOM 0 HB3 LEU A 86 8.866 25.304 -2.696 1.00 40.42 H new ATOM 0 HG LEU A 86 10.390 27.012 -2.632 1.00 11.23 H new ATOM 0 HD11 LEU A 86 9.371 29.056 -3.558 1.00 31.24 H new ATOM 0 HD12 LEU A 86 8.678 27.585 -4.282 1.00 31.24 H new ATOM 0 HD13 LEU A 86 7.766 28.482 -3.045 1.00 31.24 H new ATOM 0 HD21 LEU A 86 10.196 29.033 -1.233 1.00 31.44 H new ATOM 0 HD22 LEU A 86 8.624 28.458 -0.629 1.00 31.44 H new ATOM 0 HD23 LEU A 86 10.107 27.546 -0.260 1.00 31.44 H new ATOM 1330 N PHE A 87 6.403 26.841 -4.342 1.00 70.25 N ATOM 1331 CA PHE A 87 5.938 26.587 -5.701 1.00 62.12 C ATOM 1332 C PHE A 87 6.986 27.018 -6.724 1.00 35.03 C ATOM 1333 O PHE A 87 7.793 27.910 -6.463 1.00 13.55 O ATOM 1334 CB PHE A 87 4.623 27.325 -5.959 1.00 50.12 C ATOM 1335 CG PHE A 87 3.466 26.781 -5.171 1.00 53.23 C ATOM 1336 CD1 PHE A 87 3.431 26.904 -3.792 1.00 1.24 C ATOM 1337 CD2 PHE A 87 2.412 26.147 -5.810 1.00 42.53 C ATOM 1338 CE1 PHE A 87 2.368 26.404 -3.064 1.00 72.23 C ATOM 1339 CE2 PHE A 87 1.346 25.645 -5.088 1.00 51.51 C ATOM 1340 CZ PHE A 87 1.323 25.775 -3.713 1.00 63.23 C ATOM 0 H PHE A 87 6.591 27.822 -4.137 1.00 70.25 H new ATOM 0 HA PHE A 87 5.772 25.515 -5.807 1.00 62.12 H new ATOM 0 HB2 PHE A 87 4.754 28.380 -5.716 1.00 50.12 H new ATOM 0 HB3 PHE A 87 4.387 27.269 -7.022 1.00 50.12 H new ATOM 0 HD1 PHE A 87 4.244 27.397 -3.279 1.00 1.24 H new ATOM 0 HD2 PHE A 87 2.424 26.044 -6.885 1.00 42.53 H new ATOM 0 HE1 PHE A 87 2.354 26.505 -1.989 1.00 72.23 H new ATOM 0 HE2 PHE A 87 0.532 25.152 -5.598 1.00 51.51 H new ATOM 0 HZ PHE A 87 0.490 25.386 -3.146 1.00 63.23 H new ATOM 1350 N ILE A 88 6.966 26.377 -7.888 1.00 10.44 N ATOM 1351 CA ILE A 88 7.913 26.694 -8.949 1.00 51.45 C ATOM 1352 C ILE A 88 7.227 26.707 -10.312 1.00 24.04 C ATOM 1353 O ILE A 88 7.386 25.781 -11.108 1.00 2.42 O ATOM 1354 CB ILE A 88 9.078 25.688 -8.983 1.00 45.32 C ATOM 1355 CG1 ILE A 88 9.592 25.422 -7.567 1.00 30.22 C ATOM 1356 CG2 ILE A 88 10.200 26.207 -9.870 1.00 63.04 C ATOM 1357 CD1 ILE A 88 10.472 26.526 -7.025 1.00 42.43 C ATOM 0 H ILE A 88 6.305 25.636 -8.120 1.00 10.44 H new ATOM 0 HA ILE A 88 8.308 27.687 -8.734 1.00 51.45 H new ATOM 0 HB ILE A 88 8.715 24.749 -9.401 1.00 45.32 H new ATOM 0 HG12 ILE A 88 8.741 25.287 -6.900 1.00 30.22 H new ATOM 0 HG13 ILE A 88 10.152 24.487 -7.562 1.00 30.22 H new ATOM 0 HG21 ILE A 88 11.016 25.485 -9.884 1.00 63.04 H new ATOM 0 HG22 ILE A 88 9.826 26.351 -10.883 1.00 63.04 H new ATOM 0 HG23 ILE A 88 10.563 27.157 -9.479 1.00 63.04 H new ATOM 0 HD11 ILE A 88 10.799 26.269 -6.018 1.00 42.43 H new ATOM 0 HD12 ILE A 88 11.343 26.647 -7.670 1.00 42.43 H new ATOM 0 HD13 ILE A 88 9.909 27.459 -6.997 1.00 42.43 H new ATOM 1369 N LYS A 89 6.465 27.763 -10.574 1.00 43.24 N ATOM 1370 CA LYS A 89 5.757 27.900 -11.842 1.00 30.14 C ATOM 1371 C LYS A 89 6.704 28.352 -12.948 1.00 41.43 C ATOM 1372 O LYS A 89 7.347 29.397 -12.840 1.00 33.13 O ATOM 1373 CB LYS A 89 4.606 28.899 -11.701 1.00 31.51 C ATOM 1374 CG LYS A 89 3.947 29.257 -13.021 1.00 74.35 C ATOM 1375 CD LYS A 89 3.292 30.627 -12.964 1.00 61.14 C ATOM 1376 CE LYS A 89 2.241 30.697 -11.867 1.00 43.31 C ATOM 1377 NZ LYS A 89 0.960 31.273 -12.362 1.00 42.10 N ATOM 0 H LYS A 89 6.322 28.537 -9.925 1.00 43.24 H new ATOM 0 HA LYS A 89 5.353 26.924 -12.111 1.00 30.14 H new ATOM 0 HB2 LYS A 89 3.854 28.482 -11.030 1.00 31.51 H new ATOM 0 HB3 LYS A 89 4.981 29.809 -11.233 1.00 31.51 H new ATOM 0 HG2 LYS A 89 4.692 29.242 -13.817 1.00 74.35 H new ATOM 0 HG3 LYS A 89 3.199 28.505 -13.271 1.00 74.35 H new ATOM 0 HD2 LYS A 89 4.053 31.388 -12.790 1.00 61.14 H new ATOM 0 HD3 LYS A 89 2.831 30.851 -13.926 1.00 61.14 H new ATOM 0 HE2 LYS A 89 2.061 29.697 -11.472 1.00 43.31 H new ATOM 0 HE3 LYS A 89 2.617 31.302 -11.042 1.00 43.31 H new ATOM 0 HZ1 LYS A 89 0.270 31.304 -11.585 1.00 42.10 H new ATOM 0 HZ2 LYS A 89 1.126 32.237 -12.716 1.00 42.10 H new ATOM 0 HZ3 LYS A 89 0.588 30.681 -13.132 1.00 42.10 H new ATOM 1391 N ASP A 90 6.784 27.561 -14.012 1.00 64.01 N ATOM 1392 CA ASP A 90 7.651 27.882 -15.140 1.00 62.21 C ATOM 1393 C ASP A 90 9.083 27.428 -14.872 1.00 34.31 C ATOM 1394 O ASP A 90 9.929 27.450 -15.764 1.00 62.53 O ATOM 1395 CB ASP A 90 7.624 29.385 -15.420 1.00 40.22 C ATOM 1396 CG ASP A 90 7.896 29.708 -16.876 1.00 61.24 C ATOM 1397 OD1 ASP A 90 8.818 29.098 -17.456 1.00 64.14 O ATOM 1398 OD2 ASP A 90 7.187 30.571 -17.436 1.00 24.13 O ATOM 0 H ASP A 90 6.259 26.693 -14.117 1.00 64.01 H new ATOM 0 HA ASP A 90 7.278 27.350 -16.015 1.00 62.21 H new ATOM 0 HB2 ASP A 90 6.651 29.787 -15.137 1.00 40.22 H new ATOM 0 HB3 ASP A 90 8.367 29.881 -14.796 1.00 40.22 H new ATOM 1403 N GLY A 91 9.346 27.017 -13.635 1.00 1.11 N ATOM 1404 CA GLY A 91 10.676 26.565 -13.271 1.00 21.21 C ATOM 1405 C GLY A 91 11.485 27.642 -12.576 1.00 40.44 C ATOM 1406 O GLY A 91 12.657 27.848 -12.891 1.00 30.44 O ATOM 0 H GLY A 91 8.662 26.989 -12.879 1.00 1.11 H new ATOM 0 HA2 GLY A 91 10.595 25.697 -12.617 1.00 21.21 H new ATOM 0 HA3 GLY A 91 11.204 26.240 -14.168 1.00 21.21 H new ATOM 1410 N ALA A 92 10.858 28.334 -11.630 1.00 72.25 N ATOM 1411 CA ALA A 92 11.527 29.396 -10.890 1.00 21.23 C ATOM 1412 C ALA A 92 10.995 29.490 -9.464 1.00 12.12 C ATOM 1413 O ALA A 92 11.538 28.874 -8.547 1.00 51.24 O ATOM 1414 CB ALA A 92 11.359 30.727 -11.607 1.00 75.12 C ATOM 0 H ALA A 92 9.887 28.178 -11.358 1.00 72.25 H new ATOM 0 HA ALA A 92 12.589 29.156 -10.839 1.00 21.23 H new ATOM 0 HB1 ALA A 92 11.864 31.511 -11.042 1.00 75.12 H new ATOM 0 HB2 ALA A 92 11.794 30.661 -12.604 1.00 75.12 H new ATOM 0 HB3 ALA A 92 10.298 30.965 -11.689 1.00 75.12 H new ATOM 1420 N GLU A 93 9.930 30.266 -9.285 1.00 21.45 N ATOM 1421 CA GLU A 93 9.326 30.441 -7.969 1.00 24.22 C ATOM 1422 C GLU A 93 8.074 31.308 -8.056 1.00 75.31 C ATOM 1423 O GLU A 93 8.158 32.523 -8.229 1.00 52.22 O ATOM 1424 CB GLU A 93 10.331 31.072 -7.002 1.00 54.44 C ATOM 1425 CG GLU A 93 10.043 30.769 -5.542 1.00 10.04 C ATOM 1426 CD GLU A 93 11.277 30.885 -4.668 1.00 12.43 C ATOM 1427 OE1 GLU A 93 12.290 31.440 -5.142 1.00 10.24 O ATOM 1428 OE2 GLU A 93 11.228 30.421 -3.509 1.00 43.32 O ATOM 0 H GLU A 93 9.468 30.783 -10.034 1.00 21.45 H new ATOM 0 HA GLU A 93 9.041 29.458 -7.595 1.00 24.22 H new ATOM 0 HB2 GLU A 93 11.332 30.716 -7.248 1.00 54.44 H new ATOM 0 HB3 GLU A 93 10.333 32.152 -7.147 1.00 54.44 H new ATOM 0 HG2 GLU A 93 9.278 31.454 -5.177 1.00 10.04 H new ATOM 0 HG3 GLU A 93 9.636 29.762 -5.457 1.00 10.04 H new ATOM 1435 N ALA A 94 6.912 30.673 -7.936 1.00 23.24 N ATOM 1436 CA ALA A 94 5.642 31.385 -7.999 1.00 61.03 C ATOM 1437 C ALA A 94 5.212 31.866 -6.617 1.00 64.25 C ATOM 1438 O ALA A 94 4.581 32.914 -6.483 1.00 44.41 O ATOM 1439 CB ALA A 94 4.568 30.495 -8.608 1.00 43.53 C ATOM 0 H ALA A 94 6.825 29.667 -7.795 1.00 23.24 H new ATOM 0 HA ALA A 94 5.776 32.261 -8.634 1.00 61.03 H new ATOM 0 HB1 ALA A 94 3.625 31.039 -8.649 1.00 43.53 H new ATOM 0 HB2 ALA A 94 4.864 30.205 -9.616 1.00 43.53 H new ATOM 0 HB3 ALA A 94 4.445 29.602 -7.995 1.00 43.53 H new ATOM 1445 N ASP A 95 5.557 31.093 -5.594 1.00 23.24 N ATOM 1446 CA ASP A 95 5.207 31.440 -4.221 1.00 43.43 C ATOM 1447 C ASP A 95 5.226 30.205 -3.326 1.00 52.13 C ATOM 1448 O ASP A 95 5.509 29.098 -3.784 1.00 21.33 O ATOM 1449 CB ASP A 95 3.827 32.098 -4.175 1.00 43.22 C ATOM 1450 CG ASP A 95 3.909 33.610 -4.092 1.00 71.22 C ATOM 1451 OD1 ASP A 95 4.844 34.118 -3.439 1.00 60.03 O ATOM 1452 OD2 ASP A 95 3.037 34.285 -4.679 1.00 61.43 O ATOM 0 H ASP A 95 6.079 30.222 -5.689 1.00 23.24 H new ATOM 0 HA ASP A 95 5.950 32.146 -3.850 1.00 43.43 H new ATOM 0 HB2 ASP A 95 3.263 31.816 -5.064 1.00 43.22 H new ATOM 0 HB3 ASP A 95 3.276 31.719 -3.315 1.00 43.22 H new ATOM 1457 N LYS A 96 4.923 30.403 -2.048 1.00 20.33 N ATOM 1458 CA LYS A 96 4.904 29.306 -1.087 1.00 63.11 C ATOM 1459 C LYS A 96 3.641 29.352 -0.233 1.00 4.31 C ATOM 1460 O LYS A 96 2.818 30.257 -0.373 1.00 3.15 O ATOM 1461 CB LYS A 96 6.142 29.366 -0.190 1.00 23.44 C ATOM 1462 CG LYS A 96 6.193 30.599 0.696 1.00 72.41 C ATOM 1463 CD LYS A 96 7.203 31.612 0.184 1.00 72.22 C ATOM 1464 CE LYS A 96 8.622 31.235 0.582 1.00 75.20 C ATOM 1465 NZ LYS A 96 8.967 31.735 1.941 1.00 25.44 N ATOM 0 H LYS A 96 4.687 31.313 -1.653 1.00 20.33 H new ATOM 0 HA LYS A 96 4.911 28.369 -1.643 1.00 63.11 H new ATOM 0 HB2 LYS A 96 6.168 28.476 0.439 1.00 23.44 H new ATOM 0 HB3 LYS A 96 7.035 29.341 -0.815 1.00 23.44 H new ATOM 0 HG2 LYS A 96 5.205 31.058 0.739 1.00 72.41 H new ATOM 0 HG3 LYS A 96 6.453 30.307 1.713 1.00 72.41 H new ATOM 0 HD2 LYS A 96 7.134 31.679 -0.902 1.00 72.22 H new ATOM 0 HD3 LYS A 96 6.963 32.599 0.580 1.00 72.22 H new ATOM 0 HE2 LYS A 96 8.731 30.151 0.555 1.00 75.20 H new ATOM 0 HE3 LYS A 96 9.324 31.644 -0.145 1.00 75.20 H new ATOM 0 HZ1 LYS A 96 9.942 31.458 2.176 1.00 25.44 H new ATOM 0 HZ2 LYS A 96 8.888 32.772 1.960 1.00 25.44 H new ATOM 0 HZ3 LYS A 96 8.313 31.325 2.638 1.00 25.44 H new ATOM 1479 N VAL A 97 3.495 28.372 0.653 1.00 41.01 N ATOM 1480 CA VAL A 97 2.334 28.303 1.532 1.00 72.23 C ATOM 1481 C VAL A 97 2.701 27.694 2.881 1.00 52.54 C ATOM 1482 O VAL A 97 3.214 28.381 3.764 1.00 23.23 O ATOM 1483 CB VAL A 97 1.200 27.475 0.899 1.00 73.40 C ATOM 1484 CG1 VAL A 97 0.130 27.157 1.932 1.00 33.14 C ATOM 1485 CG2 VAL A 97 0.602 28.211 -0.290 1.00 41.42 C ATOM 0 H VAL A 97 4.166 27.615 0.781 1.00 41.01 H new ATOM 0 HA VAL A 97 1.988 29.326 1.681 1.00 72.23 H new ATOM 0 HB VAL A 97 1.618 26.534 0.542 1.00 73.40 H new ATOM 0 HG11 VAL A 97 -0.663 26.572 1.466 1.00 33.14 H new ATOM 0 HG12 VAL A 97 0.571 26.586 2.749 1.00 33.14 H new ATOM 0 HG13 VAL A 97 -0.286 28.086 2.322 1.00 33.14 H new ATOM 0 HG21 VAL A 97 -0.198 27.611 -0.725 1.00 41.42 H new ATOM 0 HG22 VAL A 97 0.199 29.168 0.040 1.00 41.42 H new ATOM 0 HG23 VAL A 97 1.376 28.382 -1.039 1.00 41.42 H new ATOM 1495 N VAL A 98 2.434 26.401 3.032 1.00 5.05 N ATOM 1496 CA VAL A 98 2.738 25.699 4.273 1.00 22.55 C ATOM 1497 C VAL A 98 2.016 24.357 4.336 1.00 5.14 C ATOM 1498 O VAL A 98 0.827 24.266 4.037 1.00 33.31 O ATOM 1499 CB VAL A 98 2.346 26.538 5.504 1.00 44.00 C ATOM 1500 CG1 VAL A 98 1.710 25.659 6.570 1.00 60.13 C ATOM 1501 CG2 VAL A 98 3.560 27.268 6.059 1.00 42.35 C ATOM 0 H VAL A 98 2.008 25.819 2.311 1.00 5.05 H new ATOM 0 HA VAL A 98 3.815 25.531 4.285 1.00 22.55 H new ATOM 0 HB VAL A 98 1.612 27.282 5.195 1.00 44.00 H new ATOM 0 HG11 VAL A 98 1.440 26.270 7.432 1.00 60.13 H new ATOM 0 HG12 VAL A 98 0.815 25.186 6.165 1.00 60.13 H new ATOM 0 HG13 VAL A 98 2.419 24.890 6.878 1.00 60.13 H new ATOM 0 HG21 VAL A 98 3.265 27.856 6.928 1.00 42.35 H new ATOM 0 HG22 VAL A 98 4.318 26.542 6.352 1.00 42.35 H new ATOM 0 HG23 VAL A 98 3.967 27.930 5.295 1.00 42.35 H new ATOM 1511 N GLY A 99 2.746 23.317 4.729 1.00 74.44 N ATOM 1512 CA GLY A 99 2.158 21.993 4.824 1.00 2.13 C ATOM 1513 C GLY A 99 1.446 21.769 6.143 1.00 31.15 C ATOM 1514 O GLY A 99 1.565 20.703 6.747 1.00 15.22 O ATOM 0 H GLY A 99 3.733 23.368 4.983 1.00 74.44 H new ATOM 0 HA2 GLY A 99 1.452 21.852 4.005 1.00 2.13 H new ATOM 0 HA3 GLY A 99 2.939 21.242 4.704 1.00 2.13 H new ATOM 1518 N ALA A 100 0.705 22.777 6.593 1.00 70.52 N ATOM 1519 CA ALA A 100 -0.029 22.684 7.849 1.00 52.24 C ATOM 1520 C ALA A 100 -1.282 23.553 7.817 1.00 3.55 C ATOM 1521 O ALA A 100 -1.908 23.793 8.850 1.00 73.02 O ATOM 1522 CB ALA A 100 0.865 23.084 9.013 1.00 15.31 C ATOM 0 H ALA A 100 0.597 23.667 6.106 1.00 70.52 H new ATOM 0 HA ALA A 100 -0.341 21.648 7.985 1.00 52.24 H new ATOM 0 HB1 ALA A 100 0.304 23.010 9.945 1.00 15.31 H new ATOM 0 HB2 ALA A 100 1.727 22.419 9.055 1.00 15.31 H new ATOM 0 HB3 ALA A 100 1.205 24.110 8.875 1.00 15.31 H new ATOM 1528 N ARG A 101 -1.641 24.024 6.627 1.00 24.34 N ATOM 1529 CA ARG A 101 -2.817 24.868 6.463 1.00 54.32 C ATOM 1530 C ARG A 101 -3.788 24.258 5.456 1.00 32.01 C ATOM 1531 O ARG A 101 -3.465 24.108 4.278 1.00 60.14 O ATOM 1532 CB ARG A 101 -2.406 26.269 6.006 1.00 12.31 C ATOM 1533 CG ARG A 101 -2.075 27.211 7.152 1.00 24.33 C ATOM 1534 CD ARG A 101 -0.676 27.790 7.010 1.00 2.14 C ATOM 1535 NE ARG A 101 -0.621 29.193 7.413 1.00 70.11 N ATOM 1536 CZ ARG A 101 0.500 29.814 7.763 1.00 70.21 C ATOM 1537 NH1 ARG A 101 1.653 29.159 7.759 1.00 0.43 N ATOM 1538 NH2 ARG A 101 0.469 31.092 8.117 1.00 51.21 N ATOM 0 H ARG A 101 -1.134 23.835 5.763 1.00 24.34 H new ATOM 0 HA ARG A 101 -3.319 24.940 7.428 1.00 54.32 H new ATOM 0 HB2 ARG A 101 -1.538 26.188 5.351 1.00 12.31 H new ATOM 0 HB3 ARG A 101 -3.213 26.700 5.414 1.00 12.31 H new ATOM 0 HG2 ARG A 101 -2.804 28.021 7.181 1.00 24.33 H new ATOM 0 HG3 ARG A 101 -2.155 26.676 8.099 1.00 24.33 H new ATOM 0 HD2 ARG A 101 0.019 27.211 7.617 1.00 2.14 H new ATOM 0 HD3 ARG A 101 -0.349 27.697 5.975 1.00 2.14 H new ATOM 0 HE ARG A 101 -1.491 29.725 7.426 1.00 70.11 H new ATOM 0 HH11 ARG A 101 1.680 28.176 7.487 1.00 0.43 H new ATOM 0 HH12 ARG A 101 2.512 29.638 8.028 1.00 0.43 H new ATOM 0 HH21 ARG A 101 -0.416 31.599 8.121 1.00 51.21 H new ATOM 0 HH22 ARG A 101 1.330 31.568 8.386 1.00 51.21 H new ATOM 1552 N LYS A 102 -4.979 23.907 5.929 1.00 54.03 N ATOM 1553 CA LYS A 102 -5.999 23.314 5.071 1.00 24.44 C ATOM 1554 C LYS A 102 -6.870 24.392 4.435 1.00 22.02 C ATOM 1555 O LYS A 102 -7.914 24.097 3.854 1.00 72.30 O ATOM 1556 CB LYS A 102 -6.871 22.347 5.875 1.00 20.15 C ATOM 1557 CG LYS A 102 -7.342 21.144 5.076 1.00 12.32 C ATOM 1558 CD LYS A 102 -8.588 21.466 4.268 1.00 71.52 C ATOM 1559 CE LYS A 102 -9.453 20.231 4.063 1.00 42.25 C ATOM 1560 NZ LYS A 102 -10.726 20.312 4.830 1.00 54.30 N ATOM 0 H LYS A 102 -5.262 24.023 6.902 1.00 54.03 H new ATOM 0 HA LYS A 102 -5.495 22.764 4.276 1.00 24.44 H new ATOM 0 HB2 LYS A 102 -6.309 21.999 6.742 1.00 20.15 H new ATOM 0 HB3 LYS A 102 -7.741 22.884 6.253 1.00 20.15 H new ATOM 0 HG2 LYS A 102 -6.547 20.817 4.406 1.00 12.32 H new ATOM 0 HG3 LYS A 102 -7.550 20.315 5.753 1.00 12.32 H new ATOM 0 HD2 LYS A 102 -9.166 22.236 4.779 1.00 71.52 H new ATOM 0 HD3 LYS A 102 -8.300 21.875 3.300 1.00 71.52 H new ATOM 0 HE2 LYS A 102 -9.675 20.115 3.002 1.00 42.25 H new ATOM 0 HE3 LYS A 102 -8.899 19.344 4.371 1.00 42.25 H new ATOM 0 HZ1 LYS A 102 -11.287 19.452 4.664 1.00 54.30 H new ATOM 0 HZ2 LYS A 102 -10.515 20.397 5.845 1.00 54.30 H new ATOM 0 HZ3 LYS A 102 -11.267 21.144 4.518 1.00 54.30 H new ATOM 1574 N ASP A 103 -6.433 25.641 4.548 1.00 51.51 N ATOM 1575 CA ASP A 103 -7.172 26.764 3.981 1.00 31.23 C ATOM 1576 C ASP A 103 -6.249 27.668 3.170 1.00 12.14 C ATOM 1577 O ASP A 103 -6.696 28.635 2.553 1.00 35.12 O ATOM 1578 CB ASP A 103 -7.849 27.569 5.092 1.00 60.04 C ATOM 1579 CG ASP A 103 -6.860 28.383 5.902 1.00 44.33 C ATOM 1580 OD1 ASP A 103 -6.125 27.785 6.715 1.00 43.21 O ATOM 1581 OD2 ASP A 103 -6.821 29.619 5.723 1.00 22.13 O ATOM 0 H ASP A 103 -5.571 25.902 5.027 1.00 51.51 H new ATOM 0 HA ASP A 103 -7.937 26.365 3.315 1.00 31.23 H new ATOM 0 HB2 ASP A 103 -8.591 28.236 4.653 1.00 60.04 H new ATOM 0 HB3 ASP A 103 -8.384 26.889 5.755 1.00 60.04 H new ATOM 1586 N ASP A 104 -4.960 27.348 3.177 1.00 20.14 N ATOM 1587 CA ASP A 104 -3.974 28.131 2.443 1.00 44.34 C ATOM 1588 C ASP A 104 -3.400 27.329 1.279 1.00 51.03 C ATOM 1589 O ASP A 104 -3.072 27.885 0.230 1.00 64.13 O ATOM 1590 CB ASP A 104 -2.846 28.576 3.376 1.00 55.42 C ATOM 1591 CG ASP A 104 -2.274 29.926 2.990 1.00 53.22 C ATOM 1592 OD1 ASP A 104 -3.043 30.776 2.495 1.00 52.42 O ATOM 1593 OD2 ASP A 104 -1.057 30.132 3.182 1.00 54.21 O ATOM 0 H ASP A 104 -4.574 26.551 3.683 1.00 20.14 H new ATOM 0 HA ASP A 104 -4.473 29.013 2.043 1.00 44.34 H new ATOM 0 HB2 ASP A 104 -3.221 28.622 4.398 1.00 55.42 H new ATOM 0 HB3 ASP A 104 -2.051 27.830 3.362 1.00 55.42 H new ATOM 1598 N LEU A 105 -3.281 26.020 1.471 1.00 74.01 N ATOM 1599 CA LEU A 105 -2.746 25.140 0.437 1.00 13.34 C ATOM 1600 C LEU A 105 -3.630 25.160 -0.805 1.00 75.53 C ATOM 1601 O LEU A 105 -3.263 25.732 -1.831 1.00 2.23 O ATOM 1602 CB LEU A 105 -2.625 23.711 0.969 1.00 11.10 C ATOM 1603 CG LEU A 105 -2.542 22.607 -0.086 1.00 4.41 C ATOM 1604 CD1 LEU A 105 -1.124 22.489 -0.623 1.00 62.50 C ATOM 1605 CD2 LEU A 105 -3.008 21.280 0.493 1.00 24.43 C ATOM 0 H LEU A 105 -3.548 25.544 2.333 1.00 74.01 H new ATOM 0 HA LEU A 105 -1.756 25.503 0.161 1.00 13.34 H new ATOM 0 HB2 LEU A 105 -1.737 23.653 1.598 1.00 11.10 H new ATOM 0 HB3 LEU A 105 -3.483 23.509 1.610 1.00 11.10 H new ATOM 0 HG LEU A 105 -3.201 22.870 -0.913 1.00 4.41 H new ATOM 0 HD11 LEU A 105 -1.083 21.699 -1.373 1.00 62.50 H new ATOM 0 HD12 LEU A 105 -0.827 23.435 -1.076 1.00 62.50 H new ATOM 0 HD13 LEU A 105 -0.444 22.249 0.194 1.00 62.50 H new ATOM 0 HD21 LEU A 105 -2.942 20.506 -0.272 1.00 24.43 H new ATOM 0 HD22 LEU A 105 -2.375 21.010 1.338 1.00 24.43 H new ATOM 0 HD23 LEU A 105 -4.041 21.372 0.828 1.00 24.43 H new ATOM 1617 N GLN A 106 -4.798 24.532 -0.705 1.00 23.24 N ATOM 1618 CA GLN A 106 -5.735 24.479 -1.821 1.00 24.44 C ATOM 1619 C GLN A 106 -5.971 25.869 -2.400 1.00 45.41 C ATOM 1620 O GLN A 106 -6.170 26.025 -3.604 1.00 62.00 O ATOM 1621 CB GLN A 106 -7.063 23.869 -1.370 1.00 32.11 C ATOM 1622 CG GLN A 106 -7.613 24.485 -0.094 1.00 34.24 C ATOM 1623 CD GLN A 106 -7.677 23.494 1.052 1.00 3.33 C ATOM 1624 OE1 GLN A 106 -8.649 22.752 1.193 1.00 23.50 O ATOM 1625 NE2 GLN A 106 -6.638 23.478 1.879 1.00 22.11 N ATOM 0 H GLN A 106 -5.117 24.053 0.137 1.00 23.24 H new ATOM 0 HA GLN A 106 -5.300 23.851 -2.599 1.00 24.44 H new ATOM 0 HB2 GLN A 106 -7.797 23.988 -2.167 1.00 32.11 H new ATOM 0 HB3 GLN A 106 -6.928 22.798 -1.218 1.00 32.11 H new ATOM 0 HG2 GLN A 106 -6.988 25.330 0.196 1.00 34.24 H new ATOM 0 HG3 GLN A 106 -8.611 24.878 -0.286 1.00 34.24 H new ATOM 0 HE21 GLN A 106 -5.853 24.111 1.724 1.00 22.11 H new ATOM 0 HE22 GLN A 106 -6.625 22.833 2.669 1.00 22.11 H new ATOM 1634 N ASN A 107 -5.947 26.878 -1.534 1.00 62.34 N ATOM 1635 CA ASN A 107 -6.159 28.256 -1.961 1.00 12.14 C ATOM 1636 C ASN A 107 -5.039 28.717 -2.888 1.00 51.42 C ATOM 1637 O ASN A 107 -5.237 29.591 -3.733 1.00 51.22 O ATOM 1638 CB ASN A 107 -6.243 29.181 -0.744 1.00 63.25 C ATOM 1639 CG ASN A 107 -5.918 30.621 -1.090 1.00 2.20 C ATOM 1640 OD1 ASN A 107 -6.435 31.170 -2.063 1.00 72.32 O ATOM 1641 ND2 ASN A 107 -5.056 31.241 -0.292 1.00 14.12 N ATOM 0 H ASN A 107 -5.783 26.767 -0.533 1.00 62.34 H new ATOM 0 HA ASN A 107 -7.100 28.300 -2.509 1.00 12.14 H new ATOM 0 HB2 ASN A 107 -7.246 29.129 -0.320 1.00 63.25 H new ATOM 0 HB3 ASN A 107 -5.554 28.830 0.024 1.00 63.25 H new ATOM 0 HD21 ASN A 107 -4.798 32.211 -0.475 1.00 14.12 H new ATOM 0 HD22 ASN A 107 -4.652 30.747 0.504 1.00 14.12 H new ATOM 1648 N THR A 108 -3.861 28.124 -2.725 1.00 62.43 N ATOM 1649 CA THR A 108 -2.709 28.473 -3.547 1.00 2.13 C ATOM 1650 C THR A 108 -2.690 27.665 -4.839 1.00 41.44 C ATOM 1651 O THR A 108 -2.492 28.216 -5.923 1.00 65.40 O ATOM 1652 CB THR A 108 -1.388 28.240 -2.790 1.00 23.03 C ATOM 1653 OG1 THR A 108 -1.177 29.288 -1.837 1.00 53.21 O ATOM 1654 CG2 THR A 108 -0.214 28.182 -3.755 1.00 44.34 C ATOM 0 H THR A 108 -3.679 27.399 -2.031 1.00 62.43 H new ATOM 0 HA THR A 108 -2.801 29.533 -3.786 1.00 2.13 H new ATOM 0 HB THR A 108 -1.458 27.285 -2.269 1.00 23.03 H new ATOM 0 HG1 THR A 108 -1.716 29.116 -1.037 1.00 53.21 H new ATOM 0 HG21 THR A 108 0.708 28.017 -3.197 1.00 44.34 H new ATOM 0 HG22 THR A 108 -0.363 27.364 -4.460 1.00 44.34 H new ATOM 0 HG23 THR A 108 -0.144 29.123 -4.300 1.00 44.34 H new ATOM 1662 N ILE A 109 -2.898 26.359 -4.718 1.00 70.32 N ATOM 1663 CA ILE A 109 -2.907 25.476 -5.878 1.00 45.23 C ATOM 1664 C ILE A 109 -3.919 25.945 -6.918 1.00 21.31 C ATOM 1665 O ILE A 109 -3.754 25.703 -8.114 1.00 2.42 O ATOM 1666 CB ILE A 109 -3.232 24.025 -5.479 1.00 62.20 C ATOM 1667 CG1 ILE A 109 -1.999 23.351 -4.874 1.00 21.25 C ATOM 1668 CG2 ILE A 109 -3.731 23.243 -6.685 1.00 20.00 C ATOM 1669 CD1 ILE A 109 -1.904 23.503 -3.372 1.00 24.25 C ATOM 0 H ILE A 109 -3.063 25.888 -3.828 1.00 70.32 H new ATOM 0 HA ILE A 109 -1.906 25.510 -6.308 1.00 45.23 H new ATOM 0 HB ILE A 109 -4.021 24.039 -4.727 1.00 62.20 H new ATOM 0 HG12 ILE A 109 -2.016 22.290 -5.123 1.00 21.25 H new ATOM 0 HG13 ILE A 109 -1.104 23.772 -5.331 1.00 21.25 H new ATOM 0 HG21 ILE A 109 -3.957 22.219 -6.387 1.00 20.00 H new ATOM 0 HG22 ILE A 109 -4.633 23.714 -7.076 1.00 20.00 H new ATOM 0 HG23 ILE A 109 -2.962 23.235 -7.457 1.00 20.00 H new ATOM 0 HD11 ILE A 109 -1.006 23.001 -3.012 1.00 24.25 H new ATOM 0 HD12 ILE A 109 -1.856 24.561 -3.116 1.00 24.25 H new ATOM 0 HD13 ILE A 109 -2.782 23.056 -2.905 1.00 24.25 H new ATOM 1681 N VAL A 110 -4.967 26.618 -6.454 1.00 71.10 N ATOM 1682 CA VAL A 110 -6.006 27.124 -7.344 1.00 24.43 C ATOM 1683 C VAL A 110 -5.555 28.400 -8.045 1.00 63.00 C ATOM 1684 O VAL A 110 -6.003 28.706 -9.150 1.00 13.41 O ATOM 1685 CB VAL A 110 -7.312 27.406 -6.578 1.00 70.41 C ATOM 1686 CG1 VAL A 110 -7.758 26.171 -5.810 1.00 30.02 C ATOM 1687 CG2 VAL A 110 -7.135 28.591 -5.642 1.00 10.42 C ATOM 0 H VAL A 110 -5.119 26.826 -5.467 1.00 71.10 H new ATOM 0 HA VAL A 110 -6.190 26.350 -8.089 1.00 24.43 H new ATOM 0 HB VAL A 110 -8.090 27.656 -7.300 1.00 70.41 H new ATOM 0 HG11 VAL A 110 -8.682 26.389 -5.275 1.00 30.02 H new ATOM 0 HG12 VAL A 110 -7.927 25.350 -6.507 1.00 30.02 H new ATOM 0 HG13 VAL A 110 -6.984 25.887 -5.097 1.00 30.02 H new ATOM 0 HG21 VAL A 110 -8.068 28.776 -5.109 1.00 10.42 H new ATOM 0 HG22 VAL A 110 -6.344 28.373 -4.924 1.00 10.42 H new ATOM 0 HG23 VAL A 110 -6.866 29.475 -6.221 1.00 10.42 H new ATOM 1697 N LYS A 111 -4.664 29.142 -7.396 1.00 62.10 N ATOM 1698 CA LYS A 111 -4.149 30.385 -7.957 1.00 11.51 C ATOM 1699 C LYS A 111 -3.010 30.111 -8.934 1.00 12.41 C ATOM 1700 O LYS A 111 -2.777 30.885 -9.864 1.00 21.44 O ATOM 1701 CB LYS A 111 -3.664 31.311 -6.839 1.00 14.22 C ATOM 1702 CG LYS A 111 -2.153 31.347 -6.691 1.00 31.53 C ATOM 1703 CD LYS A 111 -1.740 31.682 -5.268 1.00 0.25 C ATOM 1704 CE LYS A 111 -1.317 33.138 -5.138 1.00 74.44 C ATOM 1705 NZ LYS A 111 -0.177 33.302 -4.196 1.00 5.34 N ATOM 0 H LYS A 111 -4.283 28.904 -6.480 1.00 62.10 H new ATOM 0 HA LYS A 111 -4.959 30.873 -8.499 1.00 11.51 H new ATOM 0 HB2 LYS A 111 -4.026 32.321 -7.033 1.00 14.22 H new ATOM 0 HB3 LYS A 111 -4.105 30.990 -5.896 1.00 14.22 H new ATOM 0 HG2 LYS A 111 -1.736 30.381 -6.974 1.00 31.53 H new ATOM 0 HG3 LYS A 111 -1.737 32.087 -7.375 1.00 31.53 H new ATOM 0 HD2 LYS A 111 -2.570 31.481 -4.590 1.00 0.25 H new ATOM 0 HD3 LYS A 111 -0.917 31.035 -4.965 1.00 0.25 H new ATOM 0 HE2 LYS A 111 -1.036 33.524 -6.118 1.00 74.44 H new ATOM 0 HE3 LYS A 111 -2.163 33.732 -4.792 1.00 74.44 H new ATOM 0 HZ1 LYS A 111 0.081 34.308 -4.135 1.00 5.34 H new ATOM 0 HZ2 LYS A 111 -0.453 32.958 -3.254 1.00 5.34 H new ATOM 0 HZ3 LYS A 111 0.638 32.755 -4.539 1.00 5.34 H new ATOM 1719 N HIS A 112 -2.305 29.006 -8.718 1.00 64.32 N ATOM 1720 CA HIS A 112 -1.191 28.629 -9.582 1.00 31.23 C ATOM 1721 C HIS A 112 -1.610 27.538 -10.563 1.00 44.32 C ATOM 1722 O HIS A 112 -1.327 27.623 -11.758 1.00 71.24 O ATOM 1723 CB HIS A 112 -0.007 28.148 -8.742 1.00 50.40 C ATOM 1724 CG HIS A 112 0.429 29.134 -7.702 1.00 13.11 C ATOM 1725 ND1 HIS A 112 0.865 28.949 -6.434 1.00 52.34 N flip ATOM 1726 CD2 HIS A 112 0.444 30.496 -7.915 1.00 63.42 C flip ATOM 1727 CE1 HIS A 112 1.135 30.189 -5.911 1.00 25.14 C flip ATOM 1728 NE2 HIS A 112 0.872 31.106 -6.825 1.00 14.24 N flip ATOM 0 H HIS A 112 -2.484 28.356 -7.953 1.00 64.32 H new ATOM 0 HA HIS A 112 -0.890 29.509 -10.151 1.00 31.23 H new ATOM 0 HB2 HIS A 112 -0.275 27.211 -8.253 1.00 50.40 H new ATOM 0 HB3 HIS A 112 0.833 27.933 -9.402 1.00 50.40 H new ATOM 0 HD1 HIS A 112 0.973 28.054 -5.956 1.00 52.34 H new ATOM 0 HD2 HIS A 112 0.151 30.988 -8.831 1.00 63.42 H new ATOM 0 HE1 HIS A 112 1.503 30.383 -4.914 1.00 25.14 H new ATOM 1736 N VAL A 113 -2.284 26.514 -10.050 1.00 50.02 N ATOM 1737 CA VAL A 113 -2.742 25.407 -10.881 1.00 63.12 C ATOM 1738 C VAL A 113 -4.185 25.614 -11.327 1.00 1.15 C ATOM 1739 O VAL A 113 -4.583 25.172 -12.403 1.00 60.03 O ATOM 1740 CB VAL A 113 -2.634 24.064 -10.136 1.00 21.54 C ATOM 1741 CG1 VAL A 113 -2.729 22.901 -11.112 1.00 44.44 C ATOM 1742 CG2 VAL A 113 -1.339 23.998 -9.341 1.00 4.44 C ATOM 0 H VAL A 113 -2.525 26.428 -9.063 1.00 50.02 H new ATOM 0 HA VAL A 113 -2.095 25.381 -11.758 1.00 63.12 H new ATOM 0 HB VAL A 113 -3.467 23.989 -9.437 1.00 21.54 H new ATOM 0 HG11 VAL A 113 -2.651 21.961 -10.566 1.00 44.44 H new ATOM 0 HG12 VAL A 113 -3.686 22.940 -11.632 1.00 44.44 H new ATOM 0 HG13 VAL A 113 -1.919 22.968 -11.838 1.00 44.44 H new ATOM 0 HG21 VAL A 113 -1.280 23.042 -8.821 1.00 4.44 H new ATOM 0 HG22 VAL A 113 -0.491 24.096 -10.019 1.00 4.44 H new ATOM 0 HG23 VAL A 113 -1.317 24.809 -8.613 1.00 4.44 H new ATOM 1752 N GLY A 114 -4.966 26.291 -10.490 1.00 24.05 N ATOM 1753 CA GLY A 114 -6.357 26.546 -10.815 1.00 22.34 C ATOM 1754 C GLY A 114 -6.535 27.784 -11.670 1.00 1.51 C ATOM 1755 O GLY A 114 -7.619 28.033 -12.197 1.00 30.35 O ATOM 0 H GLY A 114 -4.660 26.667 -9.593 1.00 24.05 H new ATOM 0 HA2 GLY A 114 -6.768 25.684 -11.340 1.00 22.34 H new ATOM 0 HA3 GLY A 114 -6.927 26.660 -9.893 1.00 22.34 H new ATOM 1759 N ALA A 115 -5.468 28.565 -11.807 1.00 51.13 N ATOM 1760 CA ALA A 115 -5.512 29.785 -12.605 1.00 25.53 C ATOM 1761 C ALA A 115 -6.680 30.672 -12.188 1.00 25.22 C ATOM 1762 O ALA A 115 -7.833 30.396 -12.520 1.00 22.51 O ATOM 1763 CB ALA A 115 -5.607 29.444 -14.085 1.00 4.34 C ATOM 0 H ALA A 115 -4.563 28.375 -11.376 1.00 51.13 H new ATOM 0 HA ALA A 115 -4.589 30.338 -12.429 1.00 25.53 H new ATOM 0 HB1 ALA A 115 -5.639 30.364 -14.669 1.00 4.34 H new ATOM 0 HB2 ALA A 115 -4.737 28.857 -14.380 1.00 4.34 H new ATOM 0 HB3 ALA A 115 -6.513 28.866 -14.268 1.00 4.34 H new ATOM 1769 N THR A 116 -6.374 31.740 -11.457 1.00 33.31 N ATOM 1770 CA THR A 116 -7.399 32.667 -10.993 1.00 23.51 C ATOM 1771 C THR A 116 -8.012 32.196 -9.679 1.00 62.31 C ATOM 1772 O THR A 116 -9.207 31.913 -9.607 1.00 72.54 O ATOM 1773 CB THR A 116 -8.518 32.835 -12.037 1.00 53.33 C ATOM 1774 OG1 THR A 116 -7.975 32.733 -13.358 1.00 74.44 O ATOM 1775 CG2 THR A 116 -9.214 34.178 -11.873 1.00 32.04 C ATOM 0 H THR A 116 -5.425 31.984 -11.174 1.00 33.31 H new ATOM 0 HA THR A 116 -6.909 33.628 -10.838 1.00 23.51 H new ATOM 0 HB THR A 116 -9.250 32.042 -11.883 1.00 53.33 H new ATOM 0 HG1 THR A 116 -8.142 31.834 -13.712 1.00 74.44 H new ATOM 0 HG21 THR A 116 -10.001 34.274 -12.621 1.00 32.04 H new ATOM 0 HG22 THR A 116 -9.651 34.242 -10.877 1.00 32.04 H new ATOM 0 HG23 THR A 116 -8.489 34.982 -12.003 1.00 32.04 H new ATOM 1783 N ALA A 117 -7.186 32.115 -8.641 1.00 65.13 N ATOM 1784 CA ALA A 117 -7.648 31.681 -7.329 1.00 22.12 C ATOM 1785 C ALA A 117 -9.105 32.070 -7.104 1.00 30.42 C ATOM 1786 O ALA A 117 -10.009 31.254 -7.281 1.00 53.03 O ATOM 1787 CB ALA A 117 -6.767 32.271 -6.237 1.00 54.44 C ATOM 0 H ALA A 117 -6.193 32.344 -8.684 1.00 65.13 H new ATOM 0 HA ALA A 117 -7.579 30.594 -7.288 1.00 22.12 H new ATOM 0 HB1 ALA A 117 -7.124 31.938 -5.262 1.00 54.44 H new ATOM 0 HB2 ALA A 117 -5.739 31.939 -6.380 1.00 54.44 H new ATOM 0 HB3 ALA A 117 -6.807 33.359 -6.286 1.00 54.44 H new ATOM 1793 N ALA A 118 -9.325 33.320 -6.711 1.00 52.14 N ATOM 1794 CA ALA A 118 -10.673 33.817 -6.463 1.00 61.14 C ATOM 1795 C ALA A 118 -10.708 35.341 -6.481 1.00 51.25 C ATOM 1796 O ALA A 118 -11.411 35.946 -7.291 1.00 62.24 O ATOM 1797 CB ALA A 118 -11.193 33.291 -5.134 1.00 20.32 C ATOM 0 H ALA A 118 -8.587 34.007 -6.557 1.00 52.14 H new ATOM 0 HA ALA A 118 -11.320 33.455 -7.262 1.00 61.14 H new ATOM 0 HB1 ALA A 118 -12.200 33.670 -4.962 1.00 20.32 H new ATOM 0 HB2 ALA A 118 -11.214 32.201 -5.157 1.00 20.32 H new ATOM 0 HB3 ALA A 118 -10.538 33.624 -4.329 1.00 20.32 H new ATOM 1803 N SER A 119 -9.946 35.957 -5.583 1.00 32.10 N ATOM 1804 CA SER A 119 -9.894 37.411 -5.493 1.00 51.40 C ATOM 1805 C SER A 119 -8.860 37.855 -4.463 1.00 1.21 C ATOM 1806 O SER A 119 -8.562 37.130 -3.514 1.00 53.30 O ATOM 1807 CB SER A 119 -11.270 37.970 -5.125 1.00 2.41 C ATOM 1808 OG SER A 119 -11.337 39.364 -5.373 1.00 20.02 O ATOM 0 H SER A 119 -9.356 35.471 -4.907 1.00 32.10 H new ATOM 0 HA SER A 119 -9.600 37.800 -6.468 1.00 51.40 H new ATOM 0 HB2 SER A 119 -12.040 37.457 -5.701 1.00 2.41 H new ATOM 0 HB3 SER A 119 -11.476 37.774 -4.073 1.00 2.41 H new ATOM 0 HG SER A 119 -12.227 39.697 -5.131 1.00 20.02 H new ATOM 1814 N ALA A 120 -8.316 39.052 -4.658 1.00 23.12 N ATOM 1815 CA ALA A 120 -7.316 39.594 -3.746 1.00 14.42 C ATOM 1816 C ALA A 120 -7.790 40.906 -3.129 1.00 54.14 C ATOM 1817 O ALA A 120 -8.433 41.719 -3.794 1.00 62.00 O ATOM 1818 CB ALA A 120 -5.994 39.797 -4.471 1.00 55.23 C ATOM 0 H ALA A 120 -8.551 39.665 -5.439 1.00 23.12 H new ATOM 0 HA ALA A 120 -7.168 38.875 -2.940 1.00 14.42 H new ATOM 0 HB1 ALA A 120 -5.257 40.202 -3.777 1.00 55.23 H new ATOM 0 HB2 ALA A 120 -5.641 38.841 -4.858 1.00 55.23 H new ATOM 0 HB3 ALA A 120 -6.136 40.493 -5.298 1.00 55.23 H new ATOM 1824 N SER A 121 -7.470 41.106 -1.855 1.00 20.41 N ATOM 1825 CA SER A 121 -7.867 42.317 -1.147 1.00 53.24 C ATOM 1826 C SER A 121 -7.226 42.374 0.236 1.00 65.04 C ATOM 1827 O SER A 121 -7.874 42.099 1.245 1.00 51.14 O ATOM 1828 CB SER A 121 -9.390 42.382 -1.018 1.00 74.43 C ATOM 1829 OG SER A 121 -9.932 43.385 -1.860 1.00 64.44 O ATOM 0 H SER A 121 -6.936 40.444 -1.291 1.00 20.41 H new ATOM 0 HA SER A 121 -7.521 43.174 -1.724 1.00 53.24 H new ATOM 0 HB2 SER A 121 -9.821 41.415 -1.276 1.00 74.43 H new ATOM 0 HB3 SER A 121 -9.662 42.587 0.018 1.00 74.43 H new ATOM 0 HG SER A 121 -9.651 43.223 -2.785 1.00 64.44 H new ATOM 1835 N ALA A 122 -5.946 42.733 0.273 1.00 34.30 N ATOM 1836 CA ALA A 122 -5.216 42.828 1.531 1.00 73.10 C ATOM 1837 C ALA A 122 -4.405 44.117 1.599 1.00 53.52 C ATOM 1838 O ALA A 122 -3.501 44.250 2.424 1.00 3.52 O ATOM 1839 CB ALA A 122 -4.307 41.621 1.706 1.00 31.51 C ATOM 0 H ALA A 122 -5.394 42.963 -0.554 1.00 34.30 H new ATOM 0 HA ALA A 122 -5.942 42.843 2.344 1.00 73.10 H new ATOM 0 HB1 ALA A 122 -3.768 41.705 2.650 1.00 31.51 H new ATOM 0 HB2 ALA A 122 -4.907 40.711 1.711 1.00 31.51 H new ATOM 0 HB3 ALA A 122 -3.593 41.580 0.883 1.00 31.51 H new TER 1845 ALA A 122