USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 728 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 16 ASN : amide:sc= -0.0114 K(o=-0.3,f=-1.2) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.287 K(o=-0.3,f=-1.1) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 92 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 24 THR OG1 : rot -92:sc= 1.27 USER MOD Set 4.2: A 83 HIS : no HD1:sc= -1.05 K(o=0.21,f=-3.3) USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0.0416 USER MOD Set 5.2: A 12 ASN :FLIP amide:sc= -1.74! C(o=-2.7!,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0923 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 0.512 (180deg=-0.789!) USER MOD Single : A 6 ASN :FLIP amide:sc= 0.624 F(o=-1.2,f=0.62) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.115 (180deg=-0.586) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.736 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.121 K(o=0.12,f=-1.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -3.08! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 130:sc= 1.66 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00845 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0801 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -8.68! C(o=-8.7!,f=-12!) USER MOD Single : A 69 ASN : amide:sc= -0.06 K(o=-0.06,f=-1.7) USER MOD Single : A 71 SER OG : rot 59:sc= -0.166 USER MOD Single : A 72 CYS SG : rot -150:sc= -0.401 USER MOD Single : A 73 SER OG : rot 48:sc= 0.00605 USER MOD Single : A 75 SER OG : rot 35:sc= 1.07 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -5.85! C(o=-5.9!,f=-12!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.455 -0.597 -0.139 1.00 14.50 N ATOM 2 CA GLY A 1 1.870 -0.350 -0.342 1.00 2.55 C ATOM 3 C GLY A 1 2.670 -1.631 -0.471 1.00 54.13 C ATOM 4 O GLY A 1 2.122 -2.726 -0.353 1.00 23.20 O ATOM 0 H1 GLY A 1 -0.084 -0.209 -0.940 1.00 14.50 H new ATOM 0 H2 GLY A 1 0.287 -1.621 -0.073 1.00 14.50 H new ATOM 0 H3 GLY A 1 0.145 -0.138 0.741 1.00 14.50 H new ATOM 0 HA2 GLY A 1 2.005 0.251 -1.241 1.00 2.55 H new ATOM 0 HA3 GLY A 1 2.257 0.234 0.493 1.00 2.55 H new ATOM 8 N ASN A 2 3.969 -1.494 -0.717 1.00 54.21 N ATOM 9 CA ASN A 2 4.845 -2.650 -0.866 1.00 35.44 C ATOM 10 C ASN A 2 5.976 -2.611 0.158 1.00 75.14 C ATOM 11 O ASN A 2 6.005 -1.747 1.034 1.00 50.33 O ATOM 12 CB ASN A 2 5.424 -2.699 -2.281 1.00 33.20 C ATOM 13 CG ASN A 2 4.353 -2.887 -3.338 1.00 35.52 C ATOM 14 OD1 ASN A 2 3.705 -1.929 -3.759 1.00 1.20 O ATOM 15 ND2 ASN A 2 4.161 -4.128 -3.771 1.00 51.03 N ATOM 0 H ASN A 2 4.438 -0.594 -0.817 1.00 54.21 H new ATOM 0 HA ASN A 2 4.252 -3.548 -0.692 1.00 35.44 H new ATOM 0 HB2 ASN A 2 5.969 -1.776 -2.480 1.00 33.20 H new ATOM 0 HB3 ASN A 2 6.144 -3.515 -2.348 1.00 33.20 H new ATOM 0 HD21 ASN A 2 3.453 -4.317 -4.481 1.00 51.03 H new ATOM 0 HD22 ASN A 2 4.722 -4.892 -3.394 1.00 51.03 H new ATOM 22 N VAL A 3 6.906 -3.553 0.040 1.00 71.23 N ATOM 23 CA VAL A 3 8.040 -3.626 0.953 1.00 43.13 C ATOM 24 C VAL A 3 9.353 -3.370 0.220 1.00 34.41 C ATOM 25 O VAL A 3 9.809 -4.201 -0.567 1.00 22.05 O ATOM 26 CB VAL A 3 8.113 -4.997 1.650 1.00 72.52 C ATOM 27 CG1 VAL A 3 7.154 -5.048 2.830 1.00 64.21 C ATOM 28 CG2 VAL A 3 7.813 -6.114 0.661 1.00 41.23 C ATOM 0 H VAL A 3 6.896 -4.276 -0.679 1.00 71.23 H new ATOM 0 HA VAL A 3 7.890 -2.852 1.706 1.00 43.13 H new ATOM 0 HB VAL A 3 9.125 -5.139 2.028 1.00 72.52 H new ATOM 0 HG11 VAL A 3 7.219 -6.024 3.310 1.00 64.21 H new ATOM 0 HG12 VAL A 3 7.419 -4.272 3.548 1.00 64.21 H new ATOM 0 HG13 VAL A 3 6.135 -4.884 2.478 1.00 64.21 H new ATOM 0 HG21 VAL A 3 7.869 -7.076 1.171 1.00 41.23 H new ATOM 0 HG22 VAL A 3 6.812 -5.978 0.251 1.00 41.23 H new ATOM 0 HG23 VAL A 3 8.543 -6.089 -0.148 1.00 41.23 H new ATOM 38 N LEU A 4 9.956 -2.216 0.484 1.00 73.55 N ATOM 39 CA LEU A 4 11.218 -1.850 -0.150 1.00 74.54 C ATOM 40 C LEU A 4 12.211 -1.321 0.879 1.00 14.30 C ATOM 41 O LEU A 4 11.823 -0.707 1.874 1.00 72.43 O ATOM 42 CB LEU A 4 10.980 -0.798 -1.235 1.00 72.40 C ATOM 43 CG LEU A 4 9.993 0.316 -0.885 1.00 34.53 C ATOM 44 CD1 LEU A 4 10.452 1.641 -1.473 1.00 22.42 C ATOM 45 CD2 LEU A 4 8.597 -0.034 -1.379 1.00 74.14 C ATOM 0 H LEU A 4 9.592 -1.518 1.132 1.00 73.55 H new ATOM 0 HA LEU A 4 11.640 -2.745 -0.607 1.00 74.54 H new ATOM 0 HB2 LEU A 4 11.937 -0.342 -1.487 1.00 72.40 H new ATOM 0 HB3 LEU A 4 10.622 -1.304 -2.132 1.00 72.40 H new ATOM 0 HG LEU A 4 9.958 0.417 0.200 1.00 34.53 H new ATOM 0 HD11 LEU A 4 9.737 2.422 -1.213 1.00 22.42 H new ATOM 0 HD12 LEU A 4 11.432 1.898 -1.070 1.00 22.42 H new ATOM 0 HD13 LEU A 4 10.517 1.555 -2.558 1.00 22.42 H new ATOM 0 HD21 LEU A 4 7.908 0.770 -1.121 1.00 74.14 H new ATOM 0 HD22 LEU A 4 8.616 -0.163 -2.461 1.00 74.14 H new ATOM 0 HD23 LEU A 4 8.266 -0.960 -0.909 1.00 74.14 H new ATOM 57 N LYS A 5 13.494 -1.560 0.633 1.00 42.43 N ATOM 58 CA LYS A 5 14.545 -1.104 1.535 1.00 33.14 C ATOM 59 C LYS A 5 15.911 -1.178 0.861 1.00 21.05 C ATOM 60 O LYS A 5 16.475 -0.158 0.468 1.00 61.23 O ATOM 61 CB LYS A 5 14.548 -1.946 2.813 1.00 23.32 C ATOM 62 CG LYS A 5 15.581 -1.500 3.833 1.00 1.43 C ATOM 63 CD LYS A 5 15.336 -0.070 4.286 1.00 52.02 C ATOM 64 CE LYS A 5 13.906 0.125 4.767 1.00 70.05 C ATOM 65 NZ LYS A 5 13.088 0.886 3.781 1.00 25.33 N ATOM 0 H LYS A 5 13.832 -2.068 -0.185 1.00 42.43 H new ATOM 0 HA LYS A 5 14.343 -0.064 1.792 1.00 33.14 H new ATOM 0 HB2 LYS A 5 13.559 -1.904 3.268 1.00 23.32 H new ATOM 0 HB3 LYS A 5 14.734 -2.988 2.551 1.00 23.32 H new ATOM 0 HG2 LYS A 5 15.553 -2.166 4.696 1.00 1.43 H new ATOM 0 HG3 LYS A 5 16.578 -1.580 3.401 1.00 1.43 H new ATOM 0 HD2 LYS A 5 16.029 0.182 5.089 1.00 52.02 H new ATOM 0 HD3 LYS A 5 15.540 0.614 3.462 1.00 52.02 H new ATOM 0 HE2 LYS A 5 13.447 -0.847 4.946 1.00 70.05 H new ATOM 0 HE3 LYS A 5 13.912 0.655 5.720 1.00 70.05 H new ATOM 0 HZ1 LYS A 5 12.303 1.359 4.273 1.00 25.33 H new ATOM 0 HZ2 LYS A 5 13.683 1.599 3.313 1.00 25.33 H new ATOM 0 HZ3 LYS A 5 12.706 0.232 3.068 1.00 25.33 H new ATOM 79 N ASN A 6 16.437 -2.392 0.731 1.00 13.21 N ATOM 80 CA ASN A 6 17.737 -2.598 0.104 1.00 71.34 C ATOM 81 C ASN A 6 17.705 -2.183 -1.364 1.00 52.50 C ATOM 82 O ASN A 6 16.649 -2.177 -1.995 1.00 32.20 O ATOM 83 CB ASN A 6 18.156 -4.065 0.221 1.00 72.24 C ATOM 84 CG ASN A 6 18.820 -4.579 -1.042 1.00 61.30 C ATOM 85 OD1 ASN A 6 20.136 -4.419 -1.125 1.00 70.25 O flip ATOM 86 ND2 ASN A 6 18.158 -5.114 -1.931 1.00 73.14 N flip ATOM 0 H ASN A 6 15.983 -3.247 1.051 1.00 13.21 H new ATOM 0 HA ASN A 6 18.466 -1.976 0.624 1.00 71.34 H new ATOM 0 HB2 ASN A 6 18.842 -4.178 1.061 1.00 72.24 H new ATOM 0 HB3 ASN A 6 17.279 -4.674 0.441 1.00 72.24 H new ATOM 0 HD21 ASN A 6 17.149 -5.216 -1.824 1.00 73.14 H new ATOM 0 HD22 ASN A 6 18.619 -5.456 -2.774 1.00 73.14 H new ATOM 93 N ASN A 7 18.870 -1.835 -1.901 1.00 21.23 N ATOM 94 CA ASN A 7 18.976 -1.418 -3.294 1.00 53.11 C ATOM 95 C ASN A 7 18.747 0.084 -3.431 1.00 12.30 C ATOM 96 O ASN A 7 19.630 0.821 -3.871 1.00 51.22 O ATOM 97 CB ASN A 7 17.965 -2.180 -4.154 1.00 43.43 C ATOM 98 CG ASN A 7 18.446 -2.368 -5.580 1.00 70.32 C ATOM 99 OD1 ASN A 7 18.854 -1.413 -6.241 1.00 60.20 O ATOM 100 ND2 ASN A 7 18.399 -3.605 -6.061 1.00 63.22 N ATOM 0 H ASN A 7 19.754 -1.834 -1.392 1.00 21.23 H new ATOM 0 HA ASN A 7 19.984 -1.647 -3.641 1.00 53.11 H new ATOM 0 HB2 ASN A 7 17.773 -3.155 -3.706 1.00 43.43 H new ATOM 0 HB3 ASN A 7 17.018 -1.640 -4.161 1.00 43.43 H new ATOM 0 HD21 ASN A 7 18.709 -3.794 -7.014 1.00 63.22 H new ATOM 0 HD22 ASN A 7 18.053 -4.366 -5.477 1.00 63.22 H new ATOM 107 N THR A 8 17.555 0.533 -3.050 1.00 73.10 N ATOM 108 CA THR A 8 17.209 1.946 -3.130 1.00 54.43 C ATOM 109 C THR A 8 16.627 2.446 -1.813 1.00 22.24 C ATOM 110 O THR A 8 15.607 1.953 -1.330 1.00 40.53 O ATOM 111 CB THR A 8 16.195 2.213 -4.259 1.00 45.44 C ATOM 112 OG1 THR A 8 16.676 1.660 -5.490 1.00 12.13 O ATOM 113 CG2 THR A 8 15.955 3.706 -4.429 1.00 34.15 C ATOM 0 H THR A 8 16.813 -0.063 -2.683 1.00 73.10 H new ATOM 0 HA THR A 8 18.132 2.485 -3.344 1.00 54.43 H new ATOM 0 HB THR A 8 15.252 1.737 -3.990 1.00 45.44 H new ATOM 0 HG1 THR A 8 16.025 1.832 -6.202 1.00 12.13 H new ATOM 0 HG21 THR A 8 15.236 3.870 -5.232 1.00 34.15 H new ATOM 0 HG22 THR A 8 15.563 4.120 -3.500 1.00 34.15 H new ATOM 0 HG23 THR A 8 16.895 4.200 -4.677 1.00 34.15 H new ATOM 121 N PRO A 9 17.289 3.448 -1.215 1.00 21.42 N ATOM 122 CA PRO A 9 16.855 4.036 0.055 1.00 14.54 C ATOM 123 C PRO A 9 15.568 4.842 -0.089 1.00 41.12 C ATOM 124 O PRO A 9 15.265 5.359 -1.164 1.00 41.45 O ATOM 125 CB PRO A 9 18.019 4.953 0.438 1.00 23.02 C ATOM 126 CG PRO A 9 18.675 5.293 -0.856 1.00 13.24 C ATOM 127 CD PRO A 9 18.512 4.083 -1.733 1.00 23.10 C ATOM 0 HA PRO A 9 16.631 3.274 0.801 1.00 14.54 H new ATOM 0 HB2 PRO A 9 17.666 5.848 0.950 1.00 23.02 H new ATOM 0 HB3 PRO A 9 18.712 4.452 1.114 1.00 23.02 H new ATOM 0 HG2 PRO A 9 18.212 6.169 -1.310 1.00 13.24 H new ATOM 0 HG3 PRO A 9 19.729 5.529 -0.709 1.00 13.24 H new ATOM 0 HD2 PRO A 9 18.408 4.359 -2.782 1.00 23.10 H new ATOM 0 HD3 PRO A 9 19.372 3.417 -1.662 1.00 23.10 H new ATOM 135 N VAL A 10 14.814 4.945 1.001 1.00 42.32 N ATOM 136 CA VAL A 10 13.561 5.690 0.996 1.00 75.34 C ATOM 137 C VAL A 10 13.801 7.173 1.251 1.00 43.32 C ATOM 138 O VAL A 10 14.236 7.565 2.334 1.00 72.11 O ATOM 139 CB VAL A 10 12.583 5.150 2.056 1.00 33.30 C ATOM 140 CG1 VAL A 10 11.227 5.828 1.927 1.00 3.05 C ATOM 141 CG2 VAL A 10 12.446 3.640 1.934 1.00 30.42 C ATOM 0 H VAL A 10 15.049 4.522 1.899 1.00 42.32 H new ATOM 0 HA VAL A 10 13.121 5.562 0.007 1.00 75.34 H new ATOM 0 HB VAL A 10 12.984 5.377 3.044 1.00 33.30 H new ATOM 0 HG11 VAL A 10 10.549 5.433 2.684 1.00 3.05 H new ATOM 0 HG12 VAL A 10 11.343 6.903 2.068 1.00 3.05 H new ATOM 0 HG13 VAL A 10 10.816 5.634 0.936 1.00 3.05 H new ATOM 0 HG21 VAL A 10 11.751 3.275 2.691 1.00 30.42 H new ATOM 0 HG22 VAL A 10 12.068 3.388 0.943 1.00 30.42 H new ATOM 0 HG23 VAL A 10 13.420 3.173 2.081 1.00 30.42 H new ATOM 151 N SER A 11 13.516 7.995 0.246 1.00 54.12 N ATOM 152 CA SER A 11 13.704 9.437 0.360 1.00 61.52 C ATOM 153 C SER A 11 12.453 10.105 0.921 1.00 0.33 C ATOM 154 O SER A 11 11.390 9.491 0.999 1.00 12.42 O ATOM 155 CB SER A 11 14.048 10.037 -1.005 1.00 22.33 C ATOM 156 OG SER A 11 13.351 9.372 -2.044 1.00 41.54 O ATOM 0 H SER A 11 13.154 7.687 -0.657 1.00 54.12 H new ATOM 0 HA SER A 11 14.530 9.618 1.047 1.00 61.52 H new ATOM 0 HB2 SER A 11 13.795 11.097 -1.014 1.00 22.33 H new ATOM 0 HB3 SER A 11 15.122 9.964 -1.178 1.00 22.33 H new ATOM 0 HG SER A 11 13.586 9.775 -2.906 1.00 41.54 H new ATOM 162 N ASN A 12 12.589 11.368 1.311 1.00 5.55 N ATOM 163 CA ASN A 12 11.471 12.122 1.867 1.00 70.13 C ATOM 164 C ASN A 12 10.641 11.251 2.805 1.00 55.05 C ATOM 165 O ASN A 12 9.423 11.139 2.651 1.00 45.21 O ATOM 166 CB ASN A 12 10.588 12.667 0.742 1.00 33.54 C ATOM 167 CG ASN A 12 10.114 11.577 -0.200 1.00 65.03 C ATOM 168 OD1 ASN A 12 10.771 11.462 -1.349 1.00 54.42 O flip ATOM 169 ND2 ASN A 12 9.170 10.847 0.101 1.00 4.03 N flip ATOM 0 H ASN A 12 13.463 11.891 1.252 1.00 5.55 H new ATOM 0 HA ASN A 12 11.876 12.957 2.439 1.00 70.13 H new ATOM 0 HB2 ASN A 12 9.724 13.171 1.174 1.00 33.54 H new ATOM 0 HB3 ASN A 12 11.144 13.415 0.177 1.00 33.54 H new ATOM 0 HD21 ASN A 12 8.694 10.971 0.995 1.00 4.03 H new ATOM 0 HD22 ASN A 12 8.864 10.118 -0.543 1.00 4.03 H new ATOM 176 N LEU A 13 11.306 10.636 3.776 1.00 11.42 N ATOM 177 CA LEU A 13 10.630 9.775 4.741 1.00 52.45 C ATOM 178 C LEU A 13 9.488 10.518 5.427 1.00 53.04 C ATOM 179 O LEU A 13 9.253 11.698 5.165 1.00 43.34 O ATOM 180 CB LEU A 13 11.624 9.268 5.786 1.00 4.11 C ATOM 181 CG LEU A 13 12.014 7.793 5.682 1.00 14.01 C ATOM 182 CD1 LEU A 13 13.409 7.568 6.243 1.00 1.34 C ATOM 183 CD2 LEU A 13 10.999 6.921 6.407 1.00 55.22 C ATOM 0 H LEU A 13 12.313 10.717 3.917 1.00 11.42 H new ATOM 0 HA LEU A 13 10.214 8.924 4.202 1.00 52.45 H new ATOM 0 HB2 LEU A 13 12.531 9.869 5.717 1.00 4.11 H new ATOM 0 HB3 LEU A 13 11.201 9.442 6.775 1.00 4.11 H new ATOM 0 HG LEU A 13 12.019 7.512 4.629 1.00 14.01 H new ATOM 0 HD11 LEU A 13 13.669 6.513 6.160 1.00 1.34 H new ATOM 0 HD12 LEU A 13 14.128 8.164 5.680 1.00 1.34 H new ATOM 0 HD13 LEU A 13 13.432 7.866 7.291 1.00 1.34 H new ATOM 0 HD21 LEU A 13 11.292 5.875 6.323 1.00 55.22 H new ATOM 0 HD22 LEU A 13 10.962 7.204 7.459 1.00 55.22 H new ATOM 0 HD23 LEU A 13 10.015 7.059 5.959 1.00 55.22 H new ATOM 195 N THR A 14 8.780 9.819 6.309 1.00 52.41 N ATOM 196 CA THR A 14 7.663 10.412 7.034 1.00 41.10 C ATOM 197 C THR A 14 7.710 10.043 8.512 1.00 13.54 C ATOM 198 O THR A 14 7.994 8.901 8.869 1.00 73.35 O ATOM 199 CB THR A 14 6.311 9.964 6.447 1.00 2.02 C ATOM 200 OG1 THR A 14 6.373 8.584 6.072 1.00 65.42 O ATOM 201 CG2 THR A 14 5.940 10.808 5.237 1.00 63.31 C ATOM 0 H THR A 14 8.960 8.842 6.538 1.00 52.41 H new ATOM 0 HA THR A 14 7.756 11.493 6.929 1.00 41.10 H new ATOM 0 HB THR A 14 5.546 10.098 7.212 1.00 2.02 H new ATOM 0 HG1 THR A 14 5.509 8.307 5.701 1.00 65.42 H new ATOM 0 HG21 THR A 14 4.982 10.473 4.840 1.00 63.31 H new ATOM 0 HG22 THR A 14 5.865 11.854 5.533 1.00 63.31 H new ATOM 0 HG23 THR A 14 6.708 10.702 4.470 1.00 63.31 H new ATOM 209 N GLY A 15 7.428 11.020 9.370 1.00 21.43 N ATOM 210 CA GLY A 15 7.443 10.777 10.801 1.00 60.10 C ATOM 211 C GLY A 15 6.246 11.386 11.505 1.00 65.42 C ATOM 212 O GLY A 15 6.386 12.343 12.265 1.00 20.41 O ATOM 0 H GLY A 15 7.190 11.974 9.100 1.00 21.43 H new ATOM 0 HA2 GLY A 15 7.460 9.703 10.984 1.00 60.10 H new ATOM 0 HA3 GLY A 15 8.359 11.188 11.227 1.00 60.10 H new ATOM 216 N ASN A 16 5.066 10.830 11.250 1.00 42.33 N ATOM 217 CA ASN A 16 3.840 11.326 11.863 1.00 14.31 C ATOM 218 C ASN A 16 3.738 10.876 13.317 1.00 11.23 C ATOM 219 O ASN A 16 4.050 9.732 13.648 1.00 1.12 O ATOM 220 CB ASN A 16 2.619 10.838 11.080 1.00 64.12 C ATOM 221 CG ASN A 16 2.375 11.652 9.824 1.00 73.00 C ATOM 222 OD1 ASN A 16 3.285 12.295 9.300 1.00 32.24 O ATOM 223 ND2 ASN A 16 1.140 11.628 9.335 1.00 44.13 N ATOM 0 H ASN A 16 4.933 10.036 10.623 1.00 42.33 H new ATOM 0 HA ASN A 16 3.867 12.415 11.839 1.00 14.31 H new ATOM 0 HB2 ASN A 16 2.758 9.791 10.810 1.00 64.12 H new ATOM 0 HB3 ASN A 16 1.737 10.888 11.719 1.00 64.12 H new ATOM 0 HD21 ASN A 16 0.915 12.157 8.492 1.00 44.13 H new ATOM 0 HD22 ASN A 16 0.417 11.081 9.802 1.00 44.13 H new ATOM 230 N LYS A 17 3.298 11.784 14.182 1.00 24.25 N ATOM 231 CA LYS A 17 3.153 11.482 15.601 1.00 31.54 C ATOM 232 C LYS A 17 2.170 10.335 15.815 1.00 23.35 C ATOM 233 O LYS A 17 2.140 9.721 16.881 1.00 11.35 O ATOM 234 CB LYS A 17 2.679 12.722 16.362 1.00 31.02 C ATOM 235 CG LYS A 17 1.531 13.450 15.684 1.00 63.12 C ATOM 236 CD LYS A 17 2.009 14.707 14.976 1.00 60.54 C ATOM 237 CE LYS A 17 1.728 15.953 15.801 1.00 32.42 C ATOM 238 NZ LYS A 17 0.268 16.168 16.001 1.00 72.12 N ATOM 0 H LYS A 17 3.036 12.735 13.925 1.00 24.25 H new ATOM 0 HA LYS A 17 4.128 11.179 15.984 1.00 31.54 H new ATOM 0 HB2 LYS A 17 2.369 12.426 17.364 1.00 31.02 H new ATOM 0 HB3 LYS A 17 3.517 13.410 16.477 1.00 31.02 H new ATOM 0 HG2 LYS A 17 1.052 12.786 14.965 1.00 63.12 H new ATOM 0 HG3 LYS A 17 0.777 13.713 16.426 1.00 63.12 H new ATOM 0 HD2 LYS A 17 3.079 14.632 14.782 1.00 60.54 H new ATOM 0 HD3 LYS A 17 1.514 14.791 14.008 1.00 60.54 H new ATOM 0 HE2 LYS A 17 2.218 15.865 16.771 1.00 32.42 H new ATOM 0 HE3 LYS A 17 2.158 16.822 15.304 1.00 32.42 H new ATOM 0 HZ1 LYS A 17 0.080 17.184 16.122 1.00 72.12 H new ATOM 0 HZ2 LYS A 17 -0.252 15.816 15.172 1.00 72.12 H new ATOM 0 HZ3 LYS A 17 -0.045 15.655 16.849 1.00 72.12 H new ATOM 252 N GLY A 18 1.369 10.049 14.794 1.00 53.43 N ATOM 253 CA GLY A 18 0.397 8.976 14.890 1.00 21.33 C ATOM 254 C GLY A 18 0.617 7.899 13.846 1.00 52.20 C ATOM 255 O GLY A 18 0.504 6.709 14.139 1.00 64.14 O ATOM 0 H GLY A 18 1.376 10.542 13.901 1.00 53.43 H new ATOM 0 HA2 GLY A 18 0.449 8.531 15.883 1.00 21.33 H new ATOM 0 HA3 GLY A 18 -0.606 9.387 14.777 1.00 21.33 H new ATOM 259 N SER A 19 0.929 8.318 12.624 1.00 63.33 N ATOM 260 CA SER A 19 1.160 7.381 11.531 1.00 73.55 C ATOM 261 C SER A 19 2.633 6.993 11.448 1.00 2.43 C ATOM 262 O SER A 19 3.483 7.604 12.095 1.00 11.54 O ATOM 263 CB SER A 19 0.706 7.991 10.203 1.00 3.11 C ATOM 264 OG SER A 19 -0.688 7.821 10.013 1.00 3.23 O ATOM 0 H SER A 19 1.028 9.300 12.366 1.00 63.33 H new ATOM 0 HA SER A 19 0.577 6.482 11.728 1.00 73.55 H new ATOM 0 HB2 SER A 19 0.952 9.053 10.184 1.00 3.11 H new ATOM 0 HB3 SER A 19 1.248 7.524 9.381 1.00 3.11 H new ATOM 0 HG SER A 19 -0.953 8.221 9.158 1.00 3.23 H new ATOM 270 N GLU A 20 2.927 5.974 10.648 1.00 71.35 N ATOM 271 CA GLU A 20 4.297 5.504 10.481 1.00 4.21 C ATOM 272 C GLU A 20 4.455 4.739 9.170 1.00 0.31 C ATOM 273 O GLU A 20 3.517 4.642 8.379 1.00 62.24 O ATOM 274 CB GLU A 20 4.700 4.612 11.657 1.00 65.43 C ATOM 275 CG GLU A 20 3.520 3.971 12.368 1.00 40.43 C ATOM 276 CD GLU A 20 2.689 3.098 11.448 1.00 11.00 C ATOM 277 OE1 GLU A 20 3.101 1.947 11.192 1.00 53.01 O ATOM 278 OE2 GLU A 20 1.628 3.565 10.984 1.00 33.14 O ATOM 0 H GLU A 20 2.235 5.458 10.105 1.00 71.35 H new ATOM 0 HA GLU A 20 4.952 6.375 10.453 1.00 4.21 H new ATOM 0 HB2 GLU A 20 5.365 3.828 11.296 1.00 65.43 H new ATOM 0 HB3 GLU A 20 5.267 5.205 12.374 1.00 65.43 H new ATOM 0 HG2 GLU A 20 3.885 3.370 13.201 1.00 40.43 H new ATOM 0 HG3 GLU A 20 2.888 4.752 12.791 1.00 40.43 H new ATOM 285 N VAL A 21 5.649 4.198 8.947 1.00 13.42 N ATOM 286 CA VAL A 21 5.930 3.442 7.733 1.00 25.32 C ATOM 287 C VAL A 21 6.762 2.201 8.040 1.00 75.14 C ATOM 288 O VAL A 21 7.619 2.217 8.923 1.00 51.30 O ATOM 289 CB VAL A 21 6.676 4.302 6.696 1.00 51.22 C ATOM 290 CG1 VAL A 21 5.792 4.566 5.486 1.00 10.04 C ATOM 291 CG2 VAL A 21 7.140 5.608 7.322 1.00 1.34 C ATOM 0 H VAL A 21 6.437 4.270 9.591 1.00 13.42 H new ATOM 0 HA VAL A 21 4.968 3.139 7.319 1.00 25.32 H new ATOM 0 HB VAL A 21 7.556 3.753 6.361 1.00 51.22 H new ATOM 0 HG11 VAL A 21 6.336 5.175 4.764 1.00 10.04 H new ATOM 0 HG12 VAL A 21 5.514 3.618 5.025 1.00 10.04 H new ATOM 0 HG13 VAL A 21 4.892 5.094 5.801 1.00 10.04 H new ATOM 0 HG21 VAL A 21 7.665 6.203 6.575 1.00 1.34 H new ATOM 0 HG22 VAL A 21 6.276 6.164 7.687 1.00 1.34 H new ATOM 0 HG23 VAL A 21 7.812 5.394 8.153 1.00 1.34 H new ATOM 301 N PHE A 22 6.502 1.125 7.303 1.00 3.34 N ATOM 302 CA PHE A 22 7.226 -0.126 7.496 1.00 2.23 C ATOM 303 C PHE A 22 7.571 -0.767 6.155 1.00 3.13 C ATOM 304 O PHE A 22 6.845 -0.607 5.174 1.00 65.45 O ATOM 305 CB PHE A 22 6.395 -1.096 8.339 1.00 5.53 C ATOM 306 CG PHE A 22 4.995 -1.285 7.830 1.00 43.14 C ATOM 307 CD1 PHE A 22 3.993 -0.392 8.172 1.00 34.32 C ATOM 308 CD2 PHE A 22 4.682 -2.356 7.008 1.00 11.13 C ATOM 309 CE1 PHE A 22 2.703 -0.563 7.705 1.00 61.43 C ATOM 310 CE2 PHE A 22 3.395 -2.532 6.537 1.00 15.14 C ATOM 311 CZ PHE A 22 2.404 -1.635 6.887 1.00 74.40 C ATOM 0 H PHE A 22 5.796 1.095 6.567 1.00 3.34 H new ATOM 0 HA PHE A 22 8.154 0.098 8.021 1.00 2.23 H new ATOM 0 HB2 PHE A 22 6.897 -2.063 8.366 1.00 5.53 H new ATOM 0 HB3 PHE A 22 6.354 -0.730 9.365 1.00 5.53 H new ATOM 0 HD1 PHE A 22 4.222 0.448 8.811 1.00 34.32 H new ATOM 0 HD2 PHE A 22 5.453 -3.061 6.733 1.00 11.13 H new ATOM 0 HE1 PHE A 22 1.931 0.140 7.979 1.00 61.43 H new ATOM 0 HE2 PHE A 22 3.164 -3.370 5.896 1.00 15.14 H new ATOM 0 HZ PHE A 22 1.397 -1.772 6.521 1.00 74.40 H new ATOM 321 N TYR A 23 8.684 -1.492 6.122 1.00 51.41 N ATOM 322 CA TYR A 23 9.128 -2.155 4.902 1.00 51.44 C ATOM 323 C TYR A 23 9.859 -3.455 5.223 1.00 53.31 C ATOM 324 O TYR A 23 10.229 -3.707 6.370 1.00 10.52 O ATOM 325 CB TYR A 23 10.041 -1.229 4.096 1.00 2.35 C ATOM 326 CG TYR A 23 9.560 0.204 4.047 1.00 34.30 C ATOM 327 CD1 TYR A 23 9.871 1.097 5.064 1.00 2.35 C ATOM 328 CD2 TYR A 23 8.792 0.663 2.984 1.00 43.31 C ATOM 329 CE1 TYR A 23 9.433 2.407 5.024 1.00 31.21 C ATOM 330 CE2 TYR A 23 8.351 1.971 2.934 1.00 11.35 C ATOM 331 CZ TYR A 23 8.674 2.839 3.957 1.00 55.11 C ATOM 332 OH TYR A 23 8.235 4.143 3.912 1.00 74.50 O ATOM 0 H TYR A 23 9.295 -1.635 6.926 1.00 51.41 H new ATOM 0 HA TYR A 23 8.246 -2.393 4.307 1.00 51.44 H new ATOM 0 HB2 TYR A 23 11.041 -1.253 4.528 1.00 2.35 H new ATOM 0 HB3 TYR A 23 10.124 -1.610 3.078 1.00 2.35 H new ATOM 0 HD1 TYR A 23 10.466 0.762 5.901 1.00 2.35 H new ATOM 0 HD2 TYR A 23 8.535 -0.015 2.183 1.00 43.31 H new ATOM 0 HE1 TYR A 23 9.684 3.088 5.824 1.00 31.21 H new ATOM 0 HE2 TYR A 23 7.757 2.312 2.099 1.00 11.35 H new ATOM 0 HH TYR A 23 7.714 4.285 3.094 1.00 74.50 H new ATOM 342 N THR A 24 10.064 -4.279 4.200 1.00 2.11 N ATOM 343 CA THR A 24 10.750 -5.553 4.371 1.00 31.44 C ATOM 344 C THR A 24 11.620 -5.876 3.162 1.00 25.24 C ATOM 345 O THR A 24 11.223 -5.647 2.020 1.00 63.02 O ATOM 346 CB THR A 24 9.750 -6.704 4.592 1.00 71.24 C ATOM 347 OG1 THR A 24 8.912 -6.417 5.717 1.00 44.21 O ATOM 348 CG2 THR A 24 10.480 -8.019 4.819 1.00 71.30 C ATOM 0 H THR A 24 9.764 -4.086 3.244 1.00 2.11 H new ATOM 0 HA THR A 24 11.382 -5.456 5.254 1.00 31.44 H new ATOM 0 HB THR A 24 9.135 -6.798 3.697 1.00 71.24 H new ATOM 0 HG1 THR A 24 9.309 -6.801 6.527 1.00 44.21 H new ATOM 0 HG21 THR A 24 9.753 -8.817 4.973 1.00 71.30 H new ATOM 0 HG22 THR A 24 11.093 -8.250 3.948 1.00 71.30 H new ATOM 0 HG23 THR A 24 11.117 -7.934 5.699 1.00 71.30 H new ATOM 356 N PHE A 25 12.810 -6.410 3.421 1.00 34.31 N ATOM 357 CA PHE A 25 13.737 -6.765 2.353 1.00 1.31 C ATOM 358 C PHE A 25 14.760 -7.788 2.838 1.00 0.43 C ATOM 359 O PHE A 25 14.975 -7.946 4.040 1.00 24.35 O ATOM 360 CB PHE A 25 14.454 -5.516 1.836 1.00 51.31 C ATOM 361 CG PHE A 25 14.487 -5.421 0.337 1.00 23.03 C ATOM 362 CD1 PHE A 25 15.401 -6.161 -0.397 1.00 13.44 C ATOM 363 CD2 PHE A 25 13.605 -4.593 -0.338 1.00 11.04 C ATOM 364 CE1 PHE A 25 15.434 -6.075 -1.776 1.00 10.44 C ATOM 365 CE2 PHE A 25 13.633 -4.503 -1.717 1.00 22.24 C ATOM 366 CZ PHE A 25 14.548 -5.246 -2.436 1.00 44.15 C ATOM 0 H PHE A 25 13.154 -6.606 4.361 1.00 34.31 H new ATOM 0 HA PHE A 25 13.163 -7.209 1.540 1.00 1.31 H new ATOM 0 HB2 PHE A 25 13.960 -4.631 2.237 1.00 51.31 H new ATOM 0 HB3 PHE A 25 15.476 -5.510 2.215 1.00 51.31 H new ATOM 0 HD1 PHE A 25 16.095 -6.812 0.114 1.00 13.44 H new ATOM 0 HD2 PHE A 25 12.887 -4.011 0.220 1.00 11.04 H new ATOM 0 HE1 PHE A 25 16.152 -6.655 -2.337 1.00 10.44 H new ATOM 0 HE2 PHE A 25 12.941 -3.853 -2.231 1.00 22.24 H new ATOM 0 HZ PHE A 25 14.571 -5.179 -3.514 1.00 44.15 H new ATOM 376 N THR A 26 15.389 -8.481 1.894 1.00 35.10 N ATOM 377 CA THR A 26 16.387 -9.490 2.224 1.00 63.04 C ATOM 378 C THR A 26 17.667 -9.279 1.423 1.00 3.42 C ATOM 379 O THR A 26 17.714 -8.448 0.516 1.00 71.14 O ATOM 380 CB THR A 26 15.858 -10.912 1.958 1.00 62.00 C ATOM 381 OG1 THR A 26 15.894 -11.194 0.555 1.00 40.15 O ATOM 382 CG2 THR A 26 14.436 -11.066 2.475 1.00 12.50 C ATOM 0 H THR A 26 15.225 -8.362 0.894 1.00 35.10 H new ATOM 0 HA THR A 26 16.604 -9.384 3.287 1.00 63.04 H new ATOM 0 HB THR A 26 16.498 -11.618 2.486 1.00 62.00 H new ATOM 0 HG1 THR A 26 15.558 -12.100 0.395 1.00 40.15 H new ATOM 0 HG21 THR A 26 14.084 -12.078 2.276 1.00 12.50 H new ATOM 0 HG22 THR A 26 14.417 -10.880 3.549 1.00 12.50 H new ATOM 0 HG23 THR A 26 13.786 -10.350 1.971 1.00 12.50 H new ATOM 390 N VAL A 27 18.705 -10.036 1.764 1.00 1.25 N ATOM 391 CA VAL A 27 19.986 -9.932 1.076 1.00 61.41 C ATOM 392 C VAL A 27 20.220 -11.134 0.167 1.00 1.11 C ATOM 393 O VAL A 27 19.473 -12.111 0.209 1.00 72.45 O ATOM 394 CB VAL A 27 21.153 -9.823 2.075 1.00 22.51 C ATOM 395 CG1 VAL A 27 21.030 -8.554 2.904 1.00 43.24 C ATOM 396 CG2 VAL A 27 21.203 -11.052 2.971 1.00 3.22 C ATOM 0 H VAL A 27 18.684 -10.728 2.513 1.00 1.25 H new ATOM 0 HA VAL A 27 19.949 -9.025 0.473 1.00 61.41 H new ATOM 0 HB VAL A 27 22.086 -9.772 1.513 1.00 22.51 H new ATOM 0 HG11 VAL A 27 21.863 -8.495 3.604 1.00 43.24 H new ATOM 0 HG12 VAL A 27 21.047 -7.686 2.245 1.00 43.24 H new ATOM 0 HG13 VAL A 27 20.091 -8.571 3.458 1.00 43.24 H new ATOM 0 HG21 VAL A 27 22.033 -10.959 3.671 1.00 3.22 H new ATOM 0 HG22 VAL A 27 20.269 -11.136 3.526 1.00 3.22 H new ATOM 0 HG23 VAL A 27 21.343 -11.943 2.359 1.00 3.22 H new ATOM 406 N ASP A 28 21.262 -11.054 -0.653 1.00 23.33 N ATOM 407 CA ASP A 28 21.597 -12.136 -1.572 1.00 34.34 C ATOM 408 C ASP A 28 22.920 -12.788 -1.185 1.00 24.22 C ATOM 409 O ASP A 28 23.057 -14.011 -1.226 1.00 50.04 O ATOM 410 CB ASP A 28 21.673 -11.611 -3.006 1.00 15.30 C ATOM 411 CG ASP A 28 21.156 -12.614 -4.018 1.00 64.24 C ATOM 412 OD1 ASP A 28 20.236 -13.384 -3.674 1.00 31.24 O ATOM 413 OD2 ASP A 28 21.674 -12.630 -5.155 1.00 74.22 O ATOM 0 H ASP A 28 21.889 -10.251 -0.700 1.00 23.33 H new ATOM 0 HA ASP A 28 20.810 -12.888 -1.510 1.00 34.34 H new ATOM 0 HB2 ASP A 28 21.095 -10.690 -3.084 1.00 15.30 H new ATOM 0 HB3 ASP A 28 22.707 -11.360 -3.243 1.00 15.30 H new ATOM 418 N ARG A 29 23.893 -11.964 -0.810 1.00 11.40 N ATOM 419 CA ARG A 29 25.207 -12.460 -0.418 1.00 53.21 C ATOM 420 C ARG A 29 25.647 -11.844 0.907 1.00 65.04 C ATOM 421 O ARG A 29 25.156 -10.789 1.306 1.00 63.22 O ATOM 422 CB ARG A 29 26.238 -12.150 -1.505 1.00 55.40 C ATOM 423 CG ARG A 29 26.829 -10.753 -1.402 1.00 64.44 C ATOM 424 CD ARG A 29 25.755 -9.683 -1.516 1.00 62.12 C ATOM 425 NE ARG A 29 26.243 -8.489 -2.201 1.00 12.23 N ATOM 426 CZ ARG A 29 25.446 -7.592 -2.771 1.00 2.30 C ATOM 427 NH1 ARG A 29 24.131 -7.753 -2.738 1.00 54.24 N ATOM 428 NH2 ARG A 29 25.965 -6.530 -3.375 1.00 24.40 N ATOM 0 H ARG A 29 23.796 -10.949 -0.769 1.00 11.40 H new ATOM 0 HA ARG A 29 25.137 -13.540 -0.291 1.00 53.21 H new ATOM 0 HB2 ARG A 29 27.044 -12.882 -1.449 1.00 55.40 H new ATOM 0 HB3 ARG A 29 25.770 -12.266 -2.482 1.00 55.40 H new ATOM 0 HG2 ARG A 29 27.350 -10.647 -0.451 1.00 64.44 H new ATOM 0 HG3 ARG A 29 27.570 -10.611 -2.189 1.00 64.44 H new ATOM 0 HD2 ARG A 29 24.898 -10.086 -2.056 1.00 62.12 H new ATOM 0 HD3 ARG A 29 25.406 -9.412 -0.520 1.00 62.12 H new ATOM 0 HE ARG A 29 27.250 -8.336 -2.244 1.00 12.23 H new ATOM 0 HH11 ARG A 29 23.728 -8.567 -2.274 1.00 54.24 H new ATOM 0 HH12 ARG A 29 23.522 -7.063 -3.176 1.00 54.24 H new ATOM 0 HH21 ARG A 29 26.977 -6.402 -3.402 1.00 24.40 H new ATOM 0 HH22 ARG A 29 25.352 -5.842 -3.812 1.00 24.40 H new ATOM 442 N ASN A 30 26.577 -12.511 1.583 1.00 34.32 N ATOM 443 CA ASN A 30 27.083 -12.030 2.864 1.00 71.34 C ATOM 444 C ASN A 30 28.133 -10.942 2.659 1.00 32.34 C ATOM 445 O ASN A 30 29.204 -11.195 2.109 1.00 40.21 O ATOM 446 CB ASN A 30 27.681 -13.187 3.666 1.00 31.44 C ATOM 447 CG ASN A 30 28.613 -14.047 2.835 1.00 43.02 C ATOM 448 OD1 ASN A 30 28.169 -14.877 2.042 1.00 35.32 O ATOM 449 ND2 ASN A 30 29.915 -13.851 3.013 1.00 74.11 N ATOM 0 H ASN A 30 26.995 -13.385 1.266 1.00 34.32 H new ATOM 0 HA ASN A 30 26.248 -11.605 3.421 1.00 71.34 H new ATOM 0 HB2 ASN A 30 28.226 -12.789 4.522 1.00 31.44 H new ATOM 0 HB3 ASN A 30 26.875 -13.806 4.061 1.00 31.44 H new ATOM 0 HD21 ASN A 30 30.591 -14.400 2.481 1.00 74.11 H new ATOM 0 HD22 ASN A 30 30.239 -13.152 3.681 1.00 74.11 H new ATOM 456 N ALA A 31 27.817 -9.732 3.107 1.00 2.44 N ATOM 457 CA ALA A 31 28.734 -8.606 2.977 1.00 53.35 C ATOM 458 C ALA A 31 28.663 -7.696 4.198 1.00 3.40 C ATOM 459 O ALA A 31 27.585 -7.443 4.736 1.00 12.13 O ATOM 460 CB ALA A 31 28.426 -7.819 1.711 1.00 13.12 C ATOM 0 H ALA A 31 26.933 -9.506 3.563 1.00 2.44 H new ATOM 0 HA ALA A 31 29.748 -9.001 2.910 1.00 53.35 H new ATOM 0 HB1 ALA A 31 29.118 -6.981 1.626 1.00 13.12 H new ATOM 0 HB2 ALA A 31 28.535 -8.469 0.843 1.00 13.12 H new ATOM 0 HB3 ALA A 31 27.404 -7.443 1.756 1.00 13.12 H new ATOM 466 N THR A 32 29.820 -7.205 4.633 1.00 61.43 N ATOM 467 CA THR A 32 29.890 -6.325 5.792 1.00 52.10 C ATOM 468 C THR A 32 29.897 -4.860 5.370 1.00 30.12 C ATOM 469 O THR A 32 30.901 -4.353 4.871 1.00 72.25 O ATOM 470 CB THR A 32 31.145 -6.610 6.639 1.00 55.40 C ATOM 471 OG1 THR A 32 31.285 -5.613 7.657 1.00 12.51 O ATOM 472 CG2 THR A 32 32.392 -6.631 5.768 1.00 33.52 C ATOM 0 H THR A 32 30.722 -7.403 4.199 1.00 61.43 H new ATOM 0 HA THR A 32 29.003 -6.523 6.393 1.00 52.10 H new ATOM 0 HB THR A 32 31.029 -7.589 7.103 1.00 55.40 H new ATOM 0 HG1 THR A 32 32.084 -5.802 8.192 1.00 12.51 H new ATOM 0 HG21 THR A 32 33.265 -6.834 6.388 1.00 33.52 H new ATOM 0 HG22 THR A 32 32.295 -7.410 5.012 1.00 33.52 H new ATOM 0 HG23 THR A 32 32.511 -5.664 5.279 1.00 33.52 H new ATOM 480 N ALA A 33 28.771 -4.185 5.575 1.00 10.43 N ATOM 481 CA ALA A 33 28.649 -2.777 5.219 1.00 40.45 C ATOM 482 C ALA A 33 27.912 -1.998 6.302 1.00 13.54 C ATOM 483 O ALA A 33 27.040 -2.537 6.985 1.00 42.44 O ATOM 484 CB ALA A 33 27.935 -2.630 3.883 1.00 63.53 C ATOM 0 H ALA A 33 27.930 -4.591 5.986 1.00 10.43 H new ATOM 0 HA ALA A 33 29.653 -2.363 5.130 1.00 40.45 H new ATOM 0 HB1 ALA A 33 27.851 -1.573 3.630 1.00 63.53 H new ATOM 0 HB2 ALA A 33 28.503 -3.145 3.108 1.00 63.53 H new ATOM 0 HB3 ALA A 33 26.939 -3.067 3.953 1.00 63.53 H new ATOM 490 N VAL A 34 28.267 -0.726 6.457 1.00 43.05 N ATOM 491 CA VAL A 34 27.639 0.128 7.458 1.00 71.34 C ATOM 492 C VAL A 34 26.696 1.134 6.808 1.00 42.32 C ATOM 493 O VAL A 34 27.133 2.049 6.109 1.00 60.32 O ATOM 494 CB VAL A 34 28.691 0.887 8.288 1.00 53.45 C ATOM 495 CG1 VAL A 34 29.678 1.600 7.376 1.00 60.45 C ATOM 496 CG2 VAL A 34 28.015 1.873 9.229 1.00 25.01 C ATOM 0 H VAL A 34 28.987 -0.264 5.901 1.00 43.05 H new ATOM 0 HA VAL A 34 27.069 -0.525 8.119 1.00 71.34 H new ATOM 0 HB VAL A 34 29.244 0.166 8.889 1.00 53.45 H new ATOM 0 HG11 VAL A 34 30.414 2.131 7.980 1.00 60.45 H new ATOM 0 HG12 VAL A 34 30.185 0.869 6.746 1.00 60.45 H new ATOM 0 HG13 VAL A 34 29.143 2.312 6.747 1.00 60.45 H new ATOM 0 HG21 VAL A 34 28.773 2.401 9.808 1.00 25.01 H new ATOM 0 HG22 VAL A 34 27.436 2.591 8.649 1.00 25.01 H new ATOM 0 HG23 VAL A 34 27.352 1.334 9.905 1.00 25.01 H new ATOM 506 N VAL A 35 25.400 0.960 7.044 1.00 54.44 N ATOM 507 CA VAL A 35 24.394 1.855 6.483 1.00 71.32 C ATOM 508 C VAL A 35 23.493 2.422 7.574 1.00 32.30 C ATOM 509 O VAL A 35 23.111 1.716 8.507 1.00 22.43 O ATOM 510 CB VAL A 35 23.523 1.134 5.436 1.00 2.23 C ATOM 511 CG1 VAL A 35 22.813 2.143 4.547 1.00 75.11 C ATOM 512 CG2 VAL A 35 24.369 0.181 4.605 1.00 11.13 C ATOM 0 H VAL A 35 25.021 0.208 7.620 1.00 54.44 H new ATOM 0 HA VAL A 35 24.931 2.671 5.999 1.00 71.32 H new ATOM 0 HB VAL A 35 22.766 0.550 5.958 1.00 2.23 H new ATOM 0 HG11 VAL A 35 22.203 1.616 3.814 1.00 75.11 H new ATOM 0 HG12 VAL A 35 22.175 2.781 5.158 1.00 75.11 H new ATOM 0 HG13 VAL A 35 23.552 2.756 4.031 1.00 75.11 H new ATOM 0 HG21 VAL A 35 23.738 -0.320 3.871 1.00 11.13 H new ATOM 0 HG22 VAL A 35 25.150 0.742 4.091 1.00 11.13 H new ATOM 0 HG23 VAL A 35 24.826 -0.563 5.257 1.00 11.13 H new ATOM 522 N SER A 36 23.156 3.701 7.450 1.00 52.41 N ATOM 523 CA SER A 36 22.302 4.365 8.428 1.00 54.33 C ATOM 524 C SER A 36 21.357 5.349 7.744 1.00 13.14 C ATOM 525 O SER A 36 21.522 5.670 6.567 1.00 23.40 O ATOM 526 CB SER A 36 23.153 5.097 9.467 1.00 22.41 C ATOM 527 OG SER A 36 23.885 6.155 8.873 1.00 21.14 O ATOM 0 H SER A 36 23.461 4.299 6.682 1.00 52.41 H new ATOM 0 HA SER A 36 21.706 3.603 8.929 1.00 54.33 H new ATOM 0 HB2 SER A 36 22.511 5.492 10.254 1.00 22.41 H new ATOM 0 HB3 SER A 36 23.841 4.395 9.939 1.00 22.41 H new ATOM 0 HG SER A 36 24.419 6.608 9.558 1.00 21.14 H new ATOM 533 N ILE A 37 20.366 5.824 8.492 1.00 41.33 N ATOM 534 CA ILE A 37 19.395 6.772 7.959 1.00 2.23 C ATOM 535 C ILE A 37 19.599 8.161 8.555 1.00 2.00 C ATOM 536 O ILE A 37 19.948 8.300 9.727 1.00 21.23 O ATOM 537 CB ILE A 37 17.951 6.314 8.236 1.00 1.21 C ATOM 538 CG1 ILE A 37 17.446 6.912 9.551 1.00 44.21 C ATOM 539 CG2 ILE A 37 17.876 4.795 8.275 1.00 15.23 C ATOM 540 CD1 ILE A 37 18.111 6.325 10.776 1.00 33.43 C ATOM 0 H ILE A 37 20.215 5.568 9.468 1.00 41.33 H new ATOM 0 HA ILE A 37 19.554 6.814 6.881 1.00 2.23 H new ATOM 0 HB ILE A 37 17.311 6.669 7.428 1.00 1.21 H new ATOM 0 HG12 ILE A 37 17.612 7.989 9.538 1.00 44.21 H new ATOM 0 HG13 ILE A 37 16.370 6.756 9.622 1.00 44.21 H new ATOM 0 HG21 ILE A 37 16.849 4.486 8.472 1.00 15.23 H new ATOM 0 HG22 ILE A 37 18.199 4.390 7.316 1.00 15.23 H new ATOM 0 HG23 ILE A 37 18.526 4.419 9.065 1.00 15.23 H new ATOM 0 HD11 ILE A 37 17.704 6.795 11.671 1.00 33.43 H new ATOM 0 HD12 ILE A 37 17.923 5.252 10.813 1.00 33.43 H new ATOM 0 HD13 ILE A 37 19.185 6.504 10.728 1.00 33.43 H new ATOM 552 N SER A 38 19.377 9.187 7.740 1.00 43.13 N ATOM 553 CA SER A 38 19.539 10.566 8.185 1.00 14.22 C ATOM 554 C SER A 38 19.175 11.543 7.071 1.00 13.12 C ATOM 555 O SER A 38 19.037 11.156 5.912 1.00 51.35 O ATOM 556 CB SER A 38 20.977 10.811 8.644 1.00 3.31 C ATOM 557 OG SER A 38 21.763 11.350 7.595 1.00 74.45 O ATOM 0 H SER A 38 19.084 9.089 6.768 1.00 43.13 H new ATOM 0 HA SER A 38 18.864 10.732 9.025 1.00 14.22 H new ATOM 0 HB2 SER A 38 20.979 11.495 9.493 1.00 3.31 H new ATOM 0 HB3 SER A 38 21.417 9.875 8.988 1.00 3.31 H new ATOM 0 HG SER A 38 22.677 11.499 7.915 1.00 74.45 H new ATOM 563 N GLY A 39 19.020 12.813 7.433 1.00 2.23 N ATOM 564 CA GLY A 39 18.673 13.827 6.454 1.00 25.32 C ATOM 565 C GLY A 39 18.113 15.082 7.093 1.00 71.12 C ATOM 566 O GLY A 39 18.163 16.161 6.505 1.00 53.43 O ATOM 0 H GLY A 39 19.129 13.158 8.387 1.00 2.23 H new ATOM 0 HA2 GLY A 39 19.558 14.083 5.872 1.00 25.32 H new ATOM 0 HA3 GLY A 39 17.940 13.420 5.758 1.00 25.32 H new ATOM 570 N GLY A 40 17.576 14.940 8.301 1.00 53.51 N ATOM 571 CA GLY A 40 17.009 16.080 8.999 1.00 62.22 C ATOM 572 C GLY A 40 17.244 16.018 10.495 1.00 11.31 C ATOM 573 O GLY A 40 18.364 16.223 10.964 1.00 73.34 O ATOM 0 H GLY A 40 17.523 14.057 8.809 1.00 53.51 H new ATOM 0 HA2 GLY A 40 17.444 16.998 8.604 1.00 62.22 H new ATOM 0 HA3 GLY A 40 15.938 16.126 8.804 1.00 62.22 H new ATOM 577 N SER A 41 16.185 15.738 11.248 1.00 72.54 N ATOM 578 CA SER A 41 16.279 15.655 12.700 1.00 5.34 C ATOM 579 C SER A 41 15.861 14.274 13.195 1.00 52.02 C ATOM 580 O SER A 41 14.948 13.657 12.648 1.00 15.12 O ATOM 581 CB SER A 41 15.405 16.729 13.351 1.00 3.02 C ATOM 582 OG SER A 41 15.800 18.026 12.940 1.00 40.41 O ATOM 0 H SER A 41 15.251 15.565 10.876 1.00 72.54 H new ATOM 0 HA SER A 41 17.319 15.822 12.981 1.00 5.34 H new ATOM 0 HB2 SER A 41 14.361 16.562 13.086 1.00 3.02 H new ATOM 0 HB3 SER A 41 15.475 16.651 14.436 1.00 3.02 H new ATOM 0 HG SER A 41 15.225 18.694 13.368 1.00 40.41 H new ATOM 588 N GLY A 42 16.537 13.794 14.234 1.00 11.34 N ATOM 589 CA GLY A 42 16.222 12.489 14.786 1.00 12.50 C ATOM 590 C GLY A 42 14.805 12.412 15.319 1.00 52.03 C ATOM 591 O GLY A 42 14.551 12.743 16.477 1.00 52.42 O ATOM 0 H GLY A 42 17.297 14.286 14.704 1.00 11.34 H new ATOM 0 HA2 GLY A 42 16.359 11.730 14.016 1.00 12.50 H new ATOM 0 HA3 GLY A 42 16.922 12.259 15.589 1.00 12.50 H new ATOM 595 N ASP A 43 13.879 11.975 14.472 1.00 43.12 N ATOM 596 CA ASP A 43 12.480 11.856 14.863 1.00 33.25 C ATOM 597 C ASP A 43 11.945 10.461 14.552 1.00 41.53 C ATOM 598 O ASP A 43 11.155 9.904 15.313 1.00 3.23 O ATOM 599 CB ASP A 43 11.636 12.911 14.147 1.00 13.10 C ATOM 600 CG ASP A 43 11.631 14.241 14.875 1.00 31.24 C ATOM 601 OD1 ASP A 43 12.643 14.560 15.535 1.00 55.23 O ATOM 602 OD2 ASP A 43 10.616 14.962 14.785 1.00 11.34 O ATOM 0 H ASP A 43 14.073 11.697 13.510 1.00 43.12 H new ATOM 0 HA ASP A 43 12.414 12.019 15.939 1.00 33.25 H new ATOM 0 HB2 ASP A 43 12.020 13.055 13.137 1.00 13.10 H new ATOM 0 HB3 ASP A 43 10.612 12.549 14.051 1.00 13.10 H new ATOM 607 N ALA A 44 12.381 9.904 13.426 1.00 15.34 N ATOM 608 CA ALA A 44 11.947 8.575 13.014 1.00 14.24 C ATOM 609 C ALA A 44 12.900 7.502 13.529 1.00 1.31 C ATOM 610 O ALA A 44 14.041 7.404 13.077 1.00 30.41 O ATOM 611 CB ALA A 44 11.836 8.502 11.499 1.00 51.44 C ATOM 0 H ALA A 44 13.034 10.353 12.784 1.00 15.34 H new ATOM 0 HA ALA A 44 10.965 8.390 13.448 1.00 14.24 H new ATOM 0 HB1 ALA A 44 11.511 7.504 11.206 1.00 51.44 H new ATOM 0 HB2 ALA A 44 11.110 9.237 11.152 1.00 51.44 H new ATOM 0 HB3 ALA A 44 12.808 8.713 11.052 1.00 51.44 H new ATOM 617 N ASP A 45 12.426 6.701 14.477 1.00 53.41 N ATOM 618 CA ASP A 45 13.236 5.635 15.053 1.00 24.11 C ATOM 619 C ASP A 45 13.413 4.490 14.061 1.00 71.22 C ATOM 620 O ASP A 45 12.594 4.304 13.159 1.00 24.43 O ATOM 621 CB ASP A 45 12.594 5.116 16.341 1.00 44.13 C ATOM 622 CG ASP A 45 13.290 5.634 17.584 1.00 24.11 C ATOM 623 OD1 ASP A 45 14.534 5.750 17.563 1.00 12.25 O ATOM 624 OD2 ASP A 45 12.592 5.924 18.577 1.00 34.44 O ATOM 0 H ASP A 45 11.484 6.770 14.863 1.00 53.41 H new ATOM 0 HA ASP A 45 14.219 6.045 15.286 1.00 24.11 H new ATOM 0 HB2 ASP A 45 11.545 5.412 16.365 1.00 44.13 H new ATOM 0 HB3 ASP A 45 12.618 4.026 16.342 1.00 44.13 H new ATOM 629 N LEU A 46 14.486 3.726 14.232 1.00 60.22 N ATOM 630 CA LEU A 46 14.771 2.599 13.351 1.00 61.44 C ATOM 631 C LEU A 46 15.004 1.324 14.155 1.00 31.21 C ATOM 632 O LEU A 46 15.670 1.344 15.191 1.00 72.14 O ATOM 633 CB LEU A 46 15.996 2.900 12.485 1.00 72.21 C ATOM 634 CG LEU A 46 16.670 1.692 11.832 1.00 12.25 C ATOM 635 CD1 LEU A 46 17.266 2.076 10.487 1.00 3.22 C ATOM 636 CD2 LEU A 46 17.741 1.120 12.749 1.00 21.40 C ATOM 0 H LEU A 46 15.173 3.866 14.973 1.00 60.22 H new ATOM 0 HA LEU A 46 13.906 2.447 12.706 1.00 61.44 H new ATOM 0 HB2 LEU A 46 15.699 3.594 11.699 1.00 72.21 H new ATOM 0 HB3 LEU A 46 16.734 3.414 13.101 1.00 72.21 H new ATOM 0 HG LEU A 46 15.915 0.924 11.665 1.00 12.25 H new ATOM 0 HD11 LEU A 46 17.741 1.204 10.037 1.00 3.22 H new ATOM 0 HD12 LEU A 46 16.476 2.438 9.829 1.00 3.22 H new ATOM 0 HD13 LEU A 46 18.009 2.861 10.629 1.00 3.22 H new ATOM 0 HD21 LEU A 46 18.210 0.261 12.269 1.00 21.40 H new ATOM 0 HD22 LEU A 46 18.495 1.882 12.947 1.00 21.40 H new ATOM 0 HD23 LEU A 46 17.286 0.807 13.689 1.00 21.40 H new ATOM 648 N TYR A 47 14.453 0.216 13.671 1.00 10.30 N ATOM 649 CA TYR A 47 14.600 -1.068 14.345 1.00 63.30 C ATOM 650 C TYR A 47 14.650 -2.211 13.335 1.00 4.31 C ATOM 651 O TYR A 47 14.002 -2.160 12.289 1.00 12.22 O ATOM 652 CB TYR A 47 13.447 -1.289 15.325 1.00 74.13 C ATOM 653 CG TYR A 47 12.620 -0.048 15.577 1.00 61.35 C ATOM 654 CD1 TYR A 47 11.850 0.514 14.566 1.00 44.34 C ATOM 655 CD2 TYR A 47 12.609 0.562 16.825 1.00 45.14 C ATOM 656 CE1 TYR A 47 11.094 1.648 14.791 1.00 41.33 C ATOM 657 CE2 TYR A 47 11.855 1.695 17.059 1.00 2.31 C ATOM 658 CZ TYR A 47 11.099 2.235 16.039 1.00 24.21 C ATOM 659 OH TYR A 47 10.348 3.364 16.268 1.00 12.44 O ATOM 0 H TYR A 47 13.901 0.182 12.814 1.00 10.30 H new ATOM 0 HA TYR A 47 15.540 -1.054 14.897 1.00 63.30 H new ATOM 0 HB2 TYR A 47 12.799 -2.075 14.939 1.00 74.13 H new ATOM 0 HB3 TYR A 47 13.850 -1.645 16.273 1.00 74.13 H new ATOM 0 HD1 TYR A 47 11.842 0.056 13.588 1.00 44.34 H new ATOM 0 HD2 TYR A 47 13.200 0.143 17.626 1.00 45.14 H new ATOM 0 HE1 TYR A 47 10.502 2.073 13.994 1.00 41.33 H new ATOM 0 HE2 TYR A 47 11.857 2.156 18.036 1.00 2.31 H new ATOM 0 HH TYR A 47 10.462 3.650 17.198 1.00 12.44 H new ATOM 669 N LEU A 48 15.425 -3.241 13.656 1.00 72.31 N ATOM 670 CA LEU A 48 15.561 -4.399 12.778 1.00 13.43 C ATOM 671 C LEU A 48 15.301 -5.694 13.541 1.00 54.22 C ATOM 672 O LEU A 48 15.511 -5.767 14.752 1.00 74.22 O ATOM 673 CB LEU A 48 16.958 -4.431 12.157 1.00 61.01 C ATOM 674 CG LEU A 48 17.041 -4.939 10.717 1.00 31.31 C ATOM 675 CD1 LEU A 48 18.112 -4.184 9.945 1.00 15.12 C ATOM 676 CD2 LEU A 48 17.320 -6.435 10.695 1.00 71.02 C ATOM 0 H LEU A 48 15.969 -3.298 14.517 1.00 72.31 H new ATOM 0 HA LEU A 48 14.819 -4.312 11.984 1.00 13.43 H new ATOM 0 HB2 LEU A 48 17.372 -3.423 12.190 1.00 61.01 H new ATOM 0 HB3 LEU A 48 17.596 -5.058 12.780 1.00 61.01 H new ATOM 0 HG LEU A 48 16.081 -4.761 10.233 1.00 31.31 H new ATOM 0 HD11 LEU A 48 18.156 -4.559 8.923 1.00 15.12 H new ATOM 0 HD12 LEU A 48 17.870 -3.121 9.931 1.00 15.12 H new ATOM 0 HD13 LEU A 48 19.079 -4.329 10.427 1.00 15.12 H new ATOM 0 HD21 LEU A 48 17.376 -6.780 9.662 1.00 71.02 H new ATOM 0 HD22 LEU A 48 18.267 -6.636 11.196 1.00 71.02 H new ATOM 0 HD23 LEU A 48 16.517 -6.962 11.211 1.00 71.02 H new ATOM 688 N LYS A 49 14.844 -6.715 12.824 1.00 61.03 N ATOM 689 CA LYS A 49 14.558 -8.010 13.431 1.00 44.43 C ATOM 690 C LYS A 49 14.691 -9.132 12.406 1.00 15.11 C ATOM 691 O LYS A 49 13.935 -9.192 11.437 1.00 71.03 O ATOM 692 CB LYS A 49 13.150 -8.015 14.030 1.00 24.23 C ATOM 693 CG LYS A 49 13.118 -8.385 15.503 1.00 1.22 C ATOM 694 CD LYS A 49 11.823 -9.088 15.873 1.00 13.54 C ATOM 695 CE LYS A 49 11.710 -9.293 17.376 1.00 11.13 C ATOM 696 NZ LYS A 49 10.523 -10.117 17.736 1.00 55.40 N ATOM 0 H LYS A 49 14.664 -6.671 11.821 1.00 61.03 H new ATOM 0 HA LYS A 49 15.284 -8.180 14.226 1.00 44.43 H new ATOM 0 HB2 LYS A 49 12.706 -7.028 13.902 1.00 24.23 H new ATOM 0 HB3 LYS A 49 12.530 -8.718 13.474 1.00 24.23 H new ATOM 0 HG2 LYS A 49 13.964 -9.032 15.735 1.00 1.22 H new ATOM 0 HG3 LYS A 49 13.230 -7.485 16.108 1.00 1.22 H new ATOM 0 HD2 LYS A 49 10.975 -8.501 15.520 1.00 13.54 H new ATOM 0 HD3 LYS A 49 11.775 -10.053 15.368 1.00 13.54 H new ATOM 0 HE2 LYS A 49 12.614 -9.777 17.745 1.00 11.13 H new ATOM 0 HE3 LYS A 49 11.643 -8.324 17.871 1.00 11.13 H new ATOM 0 HZ1 LYS A 49 10.482 -10.234 18.769 1.00 55.40 H new ATOM 0 HZ2 LYS A 49 9.658 -9.643 17.406 1.00 55.40 H new ATOM 0 HZ3 LYS A 49 10.599 -11.051 17.285 1.00 55.40 H new ATOM 710 N ALA A 50 15.654 -10.020 12.629 1.00 42.45 N ATOM 711 CA ALA A 50 15.882 -11.142 11.726 1.00 3.45 C ATOM 712 C ALA A 50 14.695 -12.099 11.730 1.00 41.34 C ATOM 713 O ALA A 50 14.328 -12.645 12.769 1.00 2.32 O ATOM 714 CB ALA A 50 17.157 -11.878 12.112 1.00 41.45 C ATOM 0 H ALA A 50 16.289 -9.985 13.427 1.00 42.45 H new ATOM 0 HA ALA A 50 15.994 -10.748 10.716 1.00 3.45 H new ATOM 0 HB1 ALA A 50 17.316 -12.713 11.430 1.00 41.45 H new ATOM 0 HB2 ALA A 50 18.004 -11.195 12.052 1.00 41.45 H new ATOM 0 HB3 ALA A 50 17.066 -12.254 13.131 1.00 41.45 H new ATOM 720 N GLY A 51 14.097 -12.297 10.559 1.00 64.05 N ATOM 721 CA GLY A 51 12.957 -13.188 10.449 1.00 1.01 C ATOM 722 C GLY A 51 11.648 -12.438 10.305 1.00 75.43 C ATOM 723 O GLY A 51 11.087 -12.359 9.212 1.00 61.24 O ATOM 0 H GLY A 51 14.382 -11.856 9.684 1.00 64.05 H new ATOM 0 HA2 GLY A 51 13.093 -13.843 9.589 1.00 1.01 H new ATOM 0 HA3 GLY A 51 12.912 -13.826 11.332 1.00 1.01 H new ATOM 727 N SER A 52 11.157 -11.888 11.411 1.00 63.12 N ATOM 728 CA SER A 52 9.902 -11.146 11.404 1.00 42.22 C ATOM 729 C SER A 52 10.155 -9.649 11.561 1.00 60.51 C ATOM 730 O SER A 52 11.300 -9.208 11.664 1.00 31.52 O ATOM 731 CB SER A 52 8.986 -11.640 12.525 1.00 25.32 C ATOM 732 OG SER A 52 7.644 -11.250 12.297 1.00 54.33 O ATOM 0 H SER A 52 11.609 -11.942 12.324 1.00 63.12 H new ATOM 0 HA SER A 52 9.414 -11.316 10.444 1.00 42.22 H new ATOM 0 HB2 SER A 52 9.045 -12.726 12.595 1.00 25.32 H new ATOM 0 HB3 SER A 52 9.327 -11.240 13.480 1.00 25.32 H new ATOM 0 HG SER A 52 7.079 -11.580 13.027 1.00 54.33 H new ATOM 738 N LYS A 53 9.077 -8.872 11.578 1.00 24.41 N ATOM 739 CA LYS A 53 9.179 -7.425 11.724 1.00 63.23 C ATOM 740 C LYS A 53 9.239 -7.029 13.196 1.00 72.35 C ATOM 741 O LYS A 53 8.463 -7.507 14.024 1.00 71.15 O ATOM 742 CB LYS A 53 7.990 -6.739 11.048 1.00 41.03 C ATOM 743 CG LYS A 53 6.716 -6.776 11.874 1.00 61.52 C ATOM 744 CD LYS A 53 6.583 -5.542 12.749 1.00 13.24 C ATOM 745 CE LYS A 53 5.477 -4.623 12.252 1.00 2.15 C ATOM 746 NZ LYS A 53 4.569 -4.201 13.355 1.00 62.12 N ATOM 0 H LYS A 53 8.122 -9.221 11.492 1.00 24.41 H new ATOM 0 HA LYS A 53 10.101 -7.100 11.241 1.00 63.23 H new ATOM 0 HB2 LYS A 53 8.249 -5.701 10.842 1.00 41.03 H new ATOM 0 HB3 LYS A 53 7.804 -7.218 10.087 1.00 41.03 H new ATOM 0 HG2 LYS A 53 5.854 -6.848 11.211 1.00 61.52 H new ATOM 0 HG3 LYS A 53 6.713 -7.669 12.499 1.00 61.52 H new ATOM 0 HD2 LYS A 53 6.373 -5.843 13.775 1.00 13.24 H new ATOM 0 HD3 LYS A 53 7.529 -5.001 12.763 1.00 13.24 H new ATOM 0 HE2 LYS A 53 5.919 -3.741 11.788 1.00 2.15 H new ATOM 0 HE3 LYS A 53 4.899 -5.134 11.481 1.00 2.15 H new ATOM 0 HZ1 LYS A 53 3.829 -3.576 12.976 1.00 62.12 H new ATOM 0 HZ2 LYS A 53 4.128 -5.040 13.782 1.00 62.12 H new ATOM 0 HZ3 LYS A 53 5.115 -3.691 14.079 1.00 62.12 H new ATOM 760 N PRO A 54 10.180 -6.134 13.531 1.00 71.41 N ATOM 761 CA PRO A 54 10.361 -5.653 14.904 1.00 62.13 C ATOM 762 C PRO A 54 9.212 -4.762 15.362 1.00 34.54 C ATOM 763 O PRO A 54 8.658 -3.991 14.578 1.00 44.11 O ATOM 764 CB PRO A 54 11.663 -4.851 14.829 1.00 14.42 C ATOM 765 CG PRO A 54 11.761 -4.420 13.407 1.00 40.35 C ATOM 766 CD PRO A 54 11.139 -5.523 12.596 1.00 40.12 C ATOM 0 HA PRO A 54 10.389 -6.472 15.623 1.00 62.13 H new ATOM 0 HB2 PRO A 54 11.639 -3.994 15.502 1.00 14.42 H new ATOM 0 HB3 PRO A 54 12.520 -5.459 15.118 1.00 14.42 H new ATOM 0 HG2 PRO A 54 11.238 -3.477 13.248 1.00 40.35 H new ATOM 0 HG3 PRO A 54 12.800 -4.261 13.118 1.00 40.35 H new ATOM 0 HD2 PRO A 54 10.642 -5.136 11.706 1.00 40.12 H new ATOM 0 HD3 PRO A 54 11.885 -6.243 12.258 1.00 40.12 H new ATOM 774 N THR A 55 8.856 -4.873 16.639 1.00 71.24 N ATOM 775 CA THR A 55 7.772 -4.079 17.202 1.00 53.54 C ATOM 776 C THR A 55 8.311 -2.871 17.959 1.00 42.52 C ATOM 777 O THR A 55 9.523 -2.673 18.053 1.00 63.53 O ATOM 778 CB THR A 55 6.896 -4.917 18.152 1.00 52.41 C ATOM 779 OG1 THR A 55 7.393 -4.818 19.491 1.00 22.40 O ATOM 780 CG2 THR A 55 6.871 -6.375 17.720 1.00 23.12 C ATOM 0 H THR A 55 9.304 -5.506 17.302 1.00 71.24 H new ATOM 0 HA THR A 55 7.163 -3.738 16.365 1.00 53.54 H new ATOM 0 HB THR A 55 5.879 -4.526 18.113 1.00 52.41 H new ATOM 0 HG1 THR A 55 6.657 -4.591 20.097 1.00 22.40 H new ATOM 0 HG21 THR A 55 6.246 -6.947 18.406 1.00 23.12 H new ATOM 0 HG22 THR A 55 6.464 -6.449 16.711 1.00 23.12 H new ATOM 0 HG23 THR A 55 7.885 -6.776 17.733 1.00 23.12 H new ATOM 788 N THR A 56 7.404 -2.063 18.499 1.00 11.03 N ATOM 789 CA THR A 56 7.789 -0.874 19.248 1.00 12.53 C ATOM 790 C THR A 56 8.482 -1.246 20.554 1.00 71.31 C ATOM 791 O THR A 56 9.082 -0.398 21.214 1.00 52.34 O ATOM 792 CB THR A 56 6.568 0.012 19.563 1.00 61.31 C ATOM 793 OG1 THR A 56 5.494 -0.794 20.061 1.00 40.23 O ATOM 794 CG2 THR A 56 6.111 0.764 18.322 1.00 5.54 C ATOM 0 H THR A 56 6.397 -2.211 18.431 1.00 11.03 H new ATOM 0 HA THR A 56 8.482 -0.316 18.618 1.00 12.53 H new ATOM 0 HB THR A 56 6.859 0.738 20.322 1.00 61.31 H new ATOM 0 HG1 THR A 56 4.722 -0.224 20.261 1.00 40.23 H new ATOM 0 HG21 THR A 56 5.248 1.383 18.569 1.00 5.54 H new ATOM 0 HG22 THR A 56 6.921 1.398 17.962 1.00 5.54 H new ATOM 0 HG23 THR A 56 5.836 0.051 17.545 1.00 5.54 H new ATOM 802 N SER A 57 8.396 -2.521 20.921 1.00 10.12 N ATOM 803 CA SER A 57 9.013 -3.005 22.150 1.00 32.45 C ATOM 804 C SER A 57 10.025 -4.107 21.853 1.00 44.04 C ATOM 805 O SER A 57 10.992 -4.293 22.591 1.00 2.05 O ATOM 806 CB SER A 57 7.943 -3.527 23.112 1.00 51.23 C ATOM 807 OG SER A 57 7.186 -2.461 23.659 1.00 24.15 O ATOM 0 H SER A 57 7.905 -3.237 20.385 1.00 10.12 H new ATOM 0 HA SER A 57 9.536 -2.171 22.617 1.00 32.45 H new ATOM 0 HB2 SER A 57 7.281 -4.215 22.586 1.00 51.23 H new ATOM 0 HB3 SER A 57 8.416 -4.091 23.916 1.00 51.23 H new ATOM 0 HG SER A 57 6.508 -2.820 24.269 1.00 24.15 H new ATOM 813 N SER A 58 9.796 -4.835 20.764 1.00 14.14 N ATOM 814 CA SER A 58 10.685 -5.921 20.370 1.00 73.15 C ATOM 815 C SER A 58 11.564 -5.503 19.195 1.00 61.42 C ATOM 816 O SER A 58 11.065 -5.093 18.147 1.00 10.52 O ATOM 817 CB SER A 58 9.873 -7.163 19.997 1.00 31.22 C ATOM 818 OG SER A 58 10.173 -8.246 20.860 1.00 23.41 O ATOM 0 H SER A 58 9.002 -4.692 20.139 1.00 14.14 H new ATOM 0 HA SER A 58 11.328 -6.157 21.218 1.00 73.15 H new ATOM 0 HB2 SER A 58 8.808 -6.935 20.051 1.00 31.22 H new ATOM 0 HB3 SER A 58 10.087 -7.445 18.966 1.00 31.22 H new ATOM 0 HG SER A 58 9.640 -9.027 20.602 1.00 23.41 H new ATOM 824 N TRP A 59 12.875 -5.612 19.378 1.00 51.11 N ATOM 825 CA TRP A 59 13.825 -5.246 18.334 1.00 41.53 C ATOM 826 C TRP A 59 15.122 -6.034 18.477 1.00 70.54 C ATOM 827 O TRP A 59 15.476 -6.471 19.572 1.00 61.11 O ATOM 828 CB TRP A 59 14.118 -3.745 18.386 1.00 61.24 C ATOM 829 CG TRP A 59 13.941 -3.152 19.751 1.00 64.42 C ATOM 830 CD1 TRP A 59 12.787 -2.654 20.285 1.00 64.31 C ATOM 831 CD2 TRP A 59 14.951 -2.994 20.754 1.00 71.34 C ATOM 832 NE1 TRP A 59 13.019 -2.196 21.559 1.00 12.14 N ATOM 833 CE2 TRP A 59 14.338 -2.394 21.871 1.00 51.02 C ATOM 834 CE3 TRP A 59 16.312 -3.303 20.817 1.00 22.35 C ATOM 835 CZ2 TRP A 59 15.041 -2.097 23.035 1.00 2.31 C ATOM 836 CZ3 TRP A 59 17.009 -3.007 21.974 1.00 72.43 C ATOM 837 CH2 TRP A 59 16.373 -2.410 23.070 1.00 12.10 C ATOM 0 H TRP A 59 13.304 -5.951 20.239 1.00 51.11 H new ATOM 0 HA TRP A 59 13.378 -5.489 17.370 1.00 41.53 H new ATOM 0 HB2 TRP A 59 15.141 -3.570 18.052 1.00 61.24 H new ATOM 0 HB3 TRP A 59 13.461 -3.229 17.686 1.00 61.24 H new ATOM 0 HD1 TRP A 59 11.833 -2.625 19.780 1.00 64.31 H new ATOM 0 HE1 TRP A 59 12.322 -1.776 22.174 1.00 12.14 H new ATOM 0 HE3 TRP A 59 16.811 -3.765 19.977 1.00 22.35 H new ATOM 0 HZ2 TRP A 59 14.553 -1.636 23.881 1.00 2.31 H new ATOM 0 HZ3 TRP A 59 18.062 -3.240 22.034 1.00 72.43 H new ATOM 0 HH2 TRP A 59 16.945 -2.192 23.960 1.00 12.10 H new ATOM 848 N ASP A 60 15.826 -6.213 17.365 1.00 61.55 N ATOM 849 CA ASP A 60 17.085 -6.949 17.367 1.00 62.22 C ATOM 850 C ASP A 60 18.269 -6.002 17.196 1.00 55.25 C ATOM 851 O ASP A 60 19.337 -6.217 17.769 1.00 70.41 O ATOM 852 CB ASP A 60 17.090 -7.998 16.253 1.00 11.42 C ATOM 853 CG ASP A 60 18.133 -9.075 16.477 1.00 41.24 C ATOM 854 OD1 ASP A 60 17.874 -9.993 17.282 1.00 30.10 O ATOM 855 OD2 ASP A 60 19.209 -8.999 15.847 1.00 70.23 O ATOM 0 H ASP A 60 15.546 -5.859 16.450 1.00 61.55 H new ATOM 0 HA ASP A 60 17.181 -7.452 18.329 1.00 62.22 H new ATOM 0 HB2 ASP A 60 16.104 -8.459 16.187 1.00 11.42 H new ATOM 0 HB3 ASP A 60 17.277 -7.508 15.297 1.00 11.42 H new ATOM 860 N CYS A 61 18.071 -4.954 16.403 1.00 30.30 N ATOM 861 CA CYS A 61 19.123 -3.975 16.154 1.00 14.54 C ATOM 862 C CYS A 61 18.622 -2.559 16.423 1.00 33.22 C ATOM 863 O CYS A 61 17.624 -2.123 15.848 1.00 22.41 O ATOM 864 CB CYS A 61 19.622 -4.087 14.713 1.00 4.44 C ATOM 865 SG CYS A 61 20.004 -5.776 14.194 1.00 41.23 S ATOM 0 H CYS A 61 17.192 -4.761 15.922 1.00 30.30 H new ATOM 0 HA CYS A 61 19.949 -4.184 16.834 1.00 14.54 H new ATOM 0 HB2 CYS A 61 18.866 -3.675 14.045 1.00 4.44 H new ATOM 0 HB3 CYS A 61 20.515 -3.473 14.600 1.00 4.44 H new ATOM 0 HG CYS A 61 20.416 -5.768 12.961 1.00 41.23 H new ATOM 871 N ARG A 62 19.319 -1.847 17.302 1.00 65.11 N ATOM 872 CA ARG A 62 18.944 -0.482 17.649 1.00 12.14 C ATOM 873 C ARG A 62 19.973 0.143 18.586 1.00 1.53 C ATOM 874 O ARG A 62 20.229 -0.349 19.685 1.00 34.13 O ATOM 875 CB ARG A 62 17.562 -0.462 18.306 1.00 42.11 C ATOM 876 CG ARG A 62 16.871 0.890 18.229 1.00 20.44 C ATOM 877 CD ARG A 62 15.857 1.061 19.350 1.00 71.15 C ATOM 878 NE ARG A 62 15.809 2.436 19.839 1.00 22.12 N ATOM 879 CZ ARG A 62 15.216 2.792 20.973 1.00 3.03 C ATOM 880 NH1 ARG A 62 14.624 1.879 21.731 1.00 44.01 N ATOM 881 NH2 ARG A 62 15.215 4.064 21.352 1.00 61.21 N ATOM 0 H ARG A 62 20.147 -2.193 17.787 1.00 65.11 H new ATOM 0 HA ARG A 62 18.911 0.104 16.730 1.00 12.14 H new ATOM 0 HB2 ARG A 62 16.931 -1.211 17.828 1.00 42.11 H new ATOM 0 HB3 ARG A 62 17.662 -0.750 19.352 1.00 42.11 H new ATOM 0 HG2 ARG A 62 17.615 1.684 18.286 1.00 20.44 H new ATOM 0 HG3 ARG A 62 16.371 0.990 17.266 1.00 20.44 H new ATOM 0 HD2 ARG A 62 14.869 0.768 18.993 1.00 71.15 H new ATOM 0 HD3 ARG A 62 16.110 0.392 20.173 1.00 71.15 H new ATOM 0 HE ARG A 62 16.255 3.163 19.279 1.00 22.12 H new ATOM 0 HH11 ARG A 62 14.623 0.900 21.444 1.00 44.01 H new ATOM 0 HH12 ARG A 62 14.169 2.155 22.601 1.00 44.01 H new ATOM 0 HH21 ARG A 62 15.670 4.769 20.772 1.00 61.21 H new ATOM 0 HH22 ARG A 62 14.759 4.336 22.223 1.00 61.21 H new ATOM 895 N PRO A 63 20.579 1.255 18.143 1.00 62.22 N ATOM 896 CA PRO A 63 21.590 1.971 18.926 1.00 41.40 C ATOM 897 C PRO A 63 20.994 2.666 20.146 1.00 72.43 C ATOM 898 O PRO A 63 21.701 3.336 20.898 1.00 22.12 O ATOM 899 CB PRO A 63 22.138 3.004 17.938 1.00 61.03 C ATOM 900 CG PRO A 63 21.033 3.218 16.962 1.00 12.41 C ATOM 901 CD PRO A 63 20.324 1.898 16.843 1.00 73.31 C ATOM 0 HA PRO A 63 22.348 1.297 19.325 1.00 41.40 H new ATOM 0 HB2 PRO A 63 22.405 3.932 18.443 1.00 61.03 H new ATOM 0 HB3 PRO A 63 23.038 2.640 17.443 1.00 61.03 H new ATOM 0 HG2 PRO A 63 20.353 3.997 17.307 1.00 12.41 H new ATOM 0 HG3 PRO A 63 21.422 3.540 15.996 1.00 12.41 H new ATOM 0 HD2 PRO A 63 19.257 2.030 16.662 1.00 73.31 H new ATOM 0 HD3 PRO A 63 20.716 1.304 16.017 1.00 73.31 H new ATOM 909 N TYR A 64 19.690 2.501 20.336 1.00 75.54 N ATOM 910 CA TYR A 64 18.998 3.113 21.463 1.00 12.25 C ATOM 911 C TYR A 64 19.536 4.514 21.737 1.00 44.20 C ATOM 912 O TYR A 64 20.416 4.700 22.578 1.00 62.11 O ATOM 913 CB TYR A 64 19.147 2.244 22.713 1.00 1.34 C ATOM 914 CG TYR A 64 20.511 1.605 22.847 1.00 73.32 C ATOM 915 CD1 TYR A 64 21.549 2.266 23.491 1.00 25.51 C ATOM 916 CD2 TYR A 64 20.761 0.340 22.328 1.00 13.40 C ATOM 917 CE1 TYR A 64 22.797 1.686 23.615 1.00 62.51 C ATOM 918 CE2 TYR A 64 22.005 -0.248 22.448 1.00 13.14 C ATOM 919 CZ TYR A 64 23.020 0.429 23.092 1.00 33.44 C ATOM 920 OH TYR A 64 24.261 -0.153 23.213 1.00 32.51 O ATOM 0 H TYR A 64 19.091 1.948 19.723 1.00 75.54 H new ATOM 0 HA TYR A 64 17.941 3.193 21.208 1.00 12.25 H new ATOM 0 HB2 TYR A 64 18.953 2.854 23.595 1.00 1.34 H new ATOM 0 HB3 TYR A 64 18.389 1.461 22.694 1.00 1.34 H new ATOM 0 HD1 TYR A 64 21.378 3.250 23.902 1.00 25.51 H new ATOM 0 HD2 TYR A 64 19.969 -0.192 21.822 1.00 13.40 H new ATOM 0 HE1 TYR A 64 23.593 2.214 24.119 1.00 62.51 H new ATOM 0 HE2 TYR A 64 22.182 -1.232 22.040 1.00 13.14 H new ATOM 0 HH TYR A 64 24.250 -1.038 22.792 1.00 32.51 H new ATOM 930 N ARG A 65 19.001 5.497 21.021 1.00 52.14 N ATOM 931 CA ARG A 65 19.427 6.882 21.185 1.00 71.35 C ATOM 932 C ARG A 65 18.289 7.843 20.855 1.00 12.41 C ATOM 933 O ARG A 65 17.747 8.506 21.740 1.00 40.41 O ATOM 934 CB ARG A 65 20.632 7.176 20.290 1.00 25.00 C ATOM 935 CG ARG A 65 21.709 8.004 20.972 1.00 41.41 C ATOM 936 CD ARG A 65 23.086 7.712 20.396 1.00 54.15 C ATOM 937 NE ARG A 65 23.878 6.859 21.277 1.00 70.42 N ATOM 938 CZ ARG A 65 25.205 6.802 21.247 1.00 12.52 C ATOM 939 NH1 ARG A 65 25.884 7.547 20.385 1.00 21.43 N ATOM 940 NH2 ARG A 65 25.855 6.001 22.081 1.00 11.03 N ATOM 0 H ARG A 65 18.271 5.360 20.321 1.00 52.14 H new ATOM 0 HA ARG A 65 19.712 7.027 22.227 1.00 71.35 H new ATOM 0 HB2 ARG A 65 21.066 6.233 19.958 1.00 25.00 H new ATOM 0 HB3 ARG A 65 20.292 7.702 19.398 1.00 25.00 H new ATOM 0 HG2 ARG A 65 21.482 9.064 20.856 1.00 41.41 H new ATOM 0 HG3 ARG A 65 21.709 7.793 22.041 1.00 41.41 H new ATOM 0 HD2 ARG A 65 22.978 7.229 19.425 1.00 54.15 H new ATOM 0 HD3 ARG A 65 23.615 8.650 20.228 1.00 54.15 H new ATOM 0 HE ARG A 65 23.386 6.275 21.953 1.00 70.42 H new ATOM 0 HH11 ARG A 65 25.387 8.165 19.743 1.00 21.43 H new ATOM 0 HH12 ARG A 65 26.903 7.502 20.364 1.00 21.43 H new ATOM 0 HH21 ARG A 65 25.336 5.428 22.746 1.00 11.03 H new ATOM 0 HH22 ARG A 65 26.874 5.958 22.057 1.00 11.03 H new ATOM 954 N TYR A 66 17.932 7.914 19.578 1.00 43.15 N ATOM 955 CA TYR A 66 16.861 8.797 19.131 1.00 61.43 C ATOM 956 C TYR A 66 16.271 8.312 17.810 1.00 31.41 C ATOM 957 O TYR A 66 16.604 7.230 17.328 1.00 34.44 O ATOM 958 CB TYR A 66 17.381 10.227 18.975 1.00 64.40 C ATOM 959 CG TYR A 66 17.425 11.000 20.274 1.00 62.24 C ATOM 960 CD1 TYR A 66 16.256 11.417 20.897 1.00 75.52 C ATOM 961 CD2 TYR A 66 18.637 11.313 20.878 1.00 73.31 C ATOM 962 CE1 TYR A 66 16.291 12.124 22.083 1.00 61.21 C ATOM 963 CE2 TYR A 66 18.682 12.018 22.065 1.00 52.32 C ATOM 964 CZ TYR A 66 17.506 12.422 22.663 1.00 4.00 C ATOM 965 OH TYR A 66 17.546 13.125 23.845 1.00 10.22 O ATOM 0 H TYR A 66 18.369 7.371 18.833 1.00 43.15 H new ATOM 0 HA TYR A 66 16.075 8.784 19.886 1.00 61.43 H new ATOM 0 HB2 TYR A 66 18.383 10.196 18.546 1.00 64.40 H new ATOM 0 HB3 TYR A 66 16.747 10.760 18.266 1.00 64.40 H new ATOM 0 HD1 TYR A 66 15.303 11.184 20.446 1.00 75.52 H new ATOM 0 HD2 TYR A 66 19.559 11.000 20.411 1.00 73.31 H new ATOM 0 HE1 TYR A 66 15.372 12.442 22.553 1.00 61.21 H new ATOM 0 HE2 TYR A 66 19.632 12.252 22.522 1.00 52.32 H new ATOM 0 HH TYR A 66 18.478 13.251 24.120 1.00 10.22 H new ATOM 975 N GLY A 67 15.392 9.122 17.229 1.00 52.51 N ATOM 976 CA GLY A 67 14.769 8.761 15.969 1.00 33.52 C ATOM 977 C GLY A 67 15.768 8.667 14.834 1.00 64.04 C ATOM 978 O GLY A 67 16.752 7.934 14.923 1.00 62.21 O ATOM 0 H GLY A 67 15.100 10.023 17.609 1.00 52.51 H new ATOM 0 HA2 GLY A 67 14.259 7.804 16.080 1.00 33.52 H new ATOM 0 HA3 GLY A 67 14.008 9.500 15.719 1.00 33.52 H new ATOM 982 N ASN A 68 15.515 9.411 13.762 1.00 62.24 N ATOM 983 CA ASN A 68 16.400 9.407 12.602 1.00 31.32 C ATOM 984 C ASN A 68 17.851 9.618 13.024 1.00 13.13 C ATOM 985 O ASN A 68 18.126 10.036 14.148 1.00 1.20 O ATOM 986 CB ASN A 68 15.982 10.495 11.612 1.00 75.05 C ATOM 987 CG ASN A 68 14.707 10.142 10.869 1.00 2.01 C ATOM 988 OD1 ASN A 68 13.679 10.800 11.031 1.00 61.44 O ATOM 989 ND2 ASN A 68 14.770 9.099 10.050 1.00 74.32 N ATOM 0 H ASN A 68 14.705 10.024 13.672 1.00 62.24 H new ATOM 0 HA ASN A 68 16.319 8.434 12.118 1.00 31.32 H new ATOM 0 HB2 ASN A 68 15.839 11.434 12.147 1.00 75.05 H new ATOM 0 HB3 ASN A 68 16.785 10.656 10.893 1.00 75.05 H new ATOM 0 HD21 ASN A 68 13.944 8.814 9.523 1.00 74.32 H new ATOM 0 HD22 ASN A 68 15.644 8.583 9.947 1.00 74.32 H new ATOM 996 N ASN A 69 18.775 9.326 12.114 1.00 15.34 N ATOM 997 CA ASN A 69 20.198 9.484 12.392 1.00 55.40 C ATOM 998 C ASN A 69 20.685 8.412 13.362 1.00 50.31 C ATOM 999 O ASN A 69 21.758 8.537 13.951 1.00 61.42 O ATOM 1000 CB ASN A 69 20.474 10.874 12.969 1.00 5.11 C ATOM 1001 CG ASN A 69 21.911 11.313 12.757 1.00 74.42 C ATOM 1002 OD1 ASN A 69 22.749 10.533 12.305 1.00 61.30 O ATOM 1003 ND2 ASN A 69 22.200 12.567 13.083 1.00 25.22 N ATOM 0 H ASN A 69 18.564 8.979 11.178 1.00 15.34 H new ATOM 0 HA ASN A 69 20.741 9.373 11.454 1.00 55.40 H new ATOM 0 HB2 ASN A 69 19.804 11.597 12.504 1.00 5.11 H new ATOM 0 HB3 ASN A 69 20.251 10.872 14.036 1.00 5.11 H new ATOM 0 HD21 ASN A 69 23.149 12.920 12.962 1.00 25.22 H new ATOM 0 HD22 ASN A 69 21.473 13.178 13.454 1.00 25.22 H new ATOM 1010 N GLU A 70 19.888 7.360 13.521 1.00 4.04 N ATOM 1011 CA GLU A 70 20.239 6.267 14.420 1.00 23.50 C ATOM 1012 C GLU A 70 19.973 4.915 13.762 1.00 4.45 C ATOM 1013 O GLU A 70 18.828 4.477 13.661 1.00 55.34 O ATOM 1014 CB GLU A 70 19.448 6.375 15.725 1.00 11.51 C ATOM 1015 CG GLU A 70 20.324 6.527 16.957 1.00 30.03 C ATOM 1016 CD GLU A 70 20.934 7.910 17.073 1.00 50.41 C ATOM 1017 OE1 GLU A 70 20.169 8.887 17.214 1.00 32.15 O ATOM 1018 OE2 GLU A 70 22.177 8.016 17.022 1.00 64.11 O ATOM 0 H GLU A 70 18.996 7.242 13.040 1.00 4.04 H new ATOM 0 HA GLU A 70 21.304 6.341 14.642 1.00 23.50 H new ATOM 0 HB2 GLU A 70 18.774 7.229 15.662 1.00 11.51 H new ATOM 0 HB3 GLU A 70 18.827 5.486 15.838 1.00 11.51 H new ATOM 0 HG2 GLU A 70 19.731 6.320 17.848 1.00 30.03 H new ATOM 0 HG3 GLU A 70 21.121 5.784 16.925 1.00 30.03 H new ATOM 1025 N SER A 71 21.041 4.260 13.317 1.00 12.33 N ATOM 1026 CA SER A 71 20.924 2.961 12.665 1.00 14.14 C ATOM 1027 C SER A 71 21.962 1.985 13.209 1.00 23.21 C ATOM 1028 O SER A 71 22.819 2.356 14.012 1.00 44.54 O ATOM 1029 CB SER A 71 21.090 3.110 11.152 1.00 74.42 C ATOM 1030 OG SER A 71 20.420 4.264 10.676 1.00 15.11 O ATOM 0 H SER A 71 21.997 4.608 13.396 1.00 12.33 H new ATOM 0 HA SER A 71 19.931 2.563 12.877 1.00 14.14 H new ATOM 0 HB2 SER A 71 22.150 3.173 10.904 1.00 74.42 H new ATOM 0 HB3 SER A 71 20.697 2.225 10.651 1.00 74.42 H new ATOM 0 HG SER A 71 20.778 5.058 11.124 1.00 15.11 H new ATOM 1036 N CYS A 72 21.879 0.735 12.766 1.00 12.23 N ATOM 1037 CA CYS A 72 22.811 -0.296 13.208 1.00 35.43 C ATOM 1038 C CYS A 72 23.656 -0.801 12.043 1.00 34.12 C ATOM 1039 O CYS A 72 23.228 -0.759 10.890 1.00 63.44 O ATOM 1040 CB CYS A 72 22.050 -1.461 13.845 1.00 42.33 C ATOM 1041 SG CYS A 72 22.933 -2.265 15.202 1.00 24.11 S ATOM 0 H CYS A 72 21.176 0.411 12.101 1.00 12.23 H new ATOM 0 HA CYS A 72 23.476 0.144 13.951 1.00 35.43 H new ATOM 0 HB2 CYS A 72 21.092 -1.096 14.215 1.00 42.33 H new ATOM 0 HB3 CYS A 72 21.833 -2.203 13.077 1.00 42.33 H new ATOM 0 HG CYS A 72 22.593 -3.518 15.259 1.00 24.11 H new ATOM 1047 N SER A 73 24.858 -1.276 12.353 1.00 33.10 N ATOM 1048 CA SER A 73 25.766 -1.784 11.331 1.00 14.11 C ATOM 1049 C SER A 73 26.257 -3.183 11.688 1.00 24.21 C ATOM 1050 O SER A 73 27.012 -3.364 12.644 1.00 43.42 O ATOM 1051 CB SER A 73 26.957 -0.840 11.163 1.00 45.50 C ATOM 1052 OG SER A 73 27.397 -0.345 12.416 1.00 10.01 O ATOM 0 H SER A 73 25.226 -1.320 13.303 1.00 33.10 H new ATOM 0 HA SER A 73 25.220 -1.839 10.389 1.00 14.11 H new ATOM 0 HB2 SER A 73 27.774 -1.365 10.669 1.00 45.50 H new ATOM 0 HB3 SER A 73 26.677 -0.007 10.518 1.00 45.50 H new ATOM 0 HG SER A 73 27.486 -1.088 13.048 1.00 10.01 H new ATOM 1058 N VAL A 74 25.823 -4.172 10.913 1.00 45.12 N ATOM 1059 CA VAL A 74 26.219 -5.556 11.145 1.00 4.21 C ATOM 1060 C VAL A 74 26.268 -6.340 9.839 1.00 65.13 C ATOM 1061 O VAL A 74 25.557 -6.024 8.886 1.00 55.23 O ATOM 1062 CB VAL A 74 25.255 -6.260 12.118 1.00 53.22 C ATOM 1063 CG1 VAL A 74 25.795 -7.626 12.511 1.00 63.23 C ATOM 1064 CG2 VAL A 74 25.016 -5.398 13.348 1.00 4.33 C ATOM 0 H VAL A 74 25.197 -4.040 10.119 1.00 45.12 H new ATOM 0 HA VAL A 74 27.215 -5.530 11.587 1.00 4.21 H new ATOM 0 HB VAL A 74 24.300 -6.406 11.613 1.00 53.22 H new ATOM 0 HG11 VAL A 74 25.100 -8.108 13.199 1.00 63.23 H new ATOM 0 HG12 VAL A 74 25.909 -8.242 11.619 1.00 63.23 H new ATOM 0 HG13 VAL A 74 26.764 -7.508 12.997 1.00 63.23 H new ATOM 0 HG21 VAL A 74 24.333 -5.911 14.025 1.00 4.33 H new ATOM 0 HG22 VAL A 74 25.963 -5.219 13.856 1.00 4.33 H new ATOM 0 HG23 VAL A 74 24.581 -4.446 13.046 1.00 4.33 H new ATOM 1074 N SER A 75 27.114 -7.365 9.802 1.00 75.42 N ATOM 1075 CA SER A 75 27.258 -8.194 8.611 1.00 64.13 C ATOM 1076 C SER A 75 26.030 -9.076 8.410 1.00 71.30 C ATOM 1077 O SER A 75 25.825 -10.048 9.137 1.00 54.04 O ATOM 1078 CB SER A 75 28.513 -9.064 8.718 1.00 14.40 C ATOM 1079 OG SER A 75 28.390 -10.008 9.768 1.00 43.15 O ATOM 0 H SER A 75 27.710 -7.641 10.583 1.00 75.42 H new ATOM 0 HA SER A 75 27.354 -7.534 7.749 1.00 64.13 H new ATOM 0 HB2 SER A 75 28.681 -9.584 7.775 1.00 14.40 H new ATOM 0 HB3 SER A 75 29.384 -8.432 8.893 1.00 14.40 H new ATOM 0 HG SER A 75 27.458 -10.302 9.836 1.00 43.15 H new ATOM 1085 N ALA A 76 25.216 -8.730 7.418 1.00 10.53 N ATOM 1086 CA ALA A 76 24.009 -9.490 7.120 1.00 52.25 C ATOM 1087 C ALA A 76 24.327 -10.712 6.265 1.00 41.13 C ATOM 1088 O ALA A 76 25.028 -10.611 5.258 1.00 32.51 O ATOM 1089 CB ALA A 76 22.988 -8.605 6.420 1.00 73.34 C ATOM 0 H ALA A 76 25.371 -7.928 6.807 1.00 10.53 H new ATOM 0 HA ALA A 76 23.586 -9.838 8.062 1.00 52.25 H new ATOM 0 HB1 ALA A 76 22.091 -9.185 6.203 1.00 73.34 H new ATOM 0 HB2 ALA A 76 22.730 -7.766 7.066 1.00 73.34 H new ATOM 0 HB3 ALA A 76 23.411 -8.229 5.488 1.00 73.34 H new ATOM 1095 N ALA A 77 23.808 -11.865 6.673 1.00 23.31 N ATOM 1096 CA ALA A 77 24.037 -13.106 5.944 1.00 75.44 C ATOM 1097 C ALA A 77 22.819 -13.483 5.107 1.00 74.30 C ATOM 1098 O ALA A 77 21.673 -13.293 5.514 1.00 35.14 O ATOM 1099 CB ALA A 77 24.384 -14.230 6.909 1.00 2.21 C ATOM 0 H ALA A 77 23.226 -11.966 7.505 1.00 23.31 H new ATOM 0 HA ALA A 77 24.877 -12.951 5.268 1.00 75.44 H new ATOM 0 HB1 ALA A 77 24.552 -15.150 6.350 1.00 2.21 H new ATOM 0 HB2 ALA A 77 25.288 -13.970 7.461 1.00 2.21 H new ATOM 0 HB3 ALA A 77 23.561 -14.376 7.609 1.00 2.21 H new ATOM 1105 N PRO A 78 23.069 -14.030 3.908 1.00 25.32 N ATOM 1106 CA PRO A 78 22.006 -14.445 2.989 1.00 35.11 C ATOM 1107 C PRO A 78 21.245 -15.666 3.496 1.00 52.41 C ATOM 1108 O PRO A 78 21.842 -16.694 3.812 1.00 75.03 O ATOM 1109 CB PRO A 78 22.761 -14.783 1.701 1.00 11.43 C ATOM 1110 CG PRO A 78 24.136 -15.140 2.151 1.00 54.31 C ATOM 1111 CD PRO A 78 24.411 -14.286 3.358 1.00 62.30 C ATOM 0 HA PRO A 78 21.250 -13.670 2.865 1.00 35.11 H new ATOM 0 HB2 PRO A 78 22.290 -15.611 1.172 1.00 11.43 H new ATOM 0 HB3 PRO A 78 22.776 -13.935 1.017 1.00 11.43 H new ATOM 0 HG2 PRO A 78 24.203 -16.199 2.399 1.00 54.31 H new ATOM 0 HG3 PRO A 78 24.866 -14.950 1.364 1.00 54.31 H new ATOM 0 HD2 PRO A 78 25.049 -14.800 4.077 1.00 62.30 H new ATOM 0 HD3 PRO A 78 24.918 -13.360 3.088 1.00 62.30 H new ATOM 1119 N GLY A 79 19.923 -15.544 3.571 1.00 72.41 N ATOM 1120 CA GLY A 79 19.102 -16.646 4.040 1.00 43.30 C ATOM 1121 C GLY A 79 18.068 -16.206 5.057 1.00 21.01 C ATOM 1122 O GLY A 79 17.014 -16.828 5.192 1.00 70.51 O ATOM 0 H GLY A 79 19.406 -14.703 3.316 1.00 72.41 H new ATOM 0 HA2 GLY A 79 18.598 -17.107 3.190 1.00 43.30 H new ATOM 0 HA3 GLY A 79 19.742 -17.409 4.484 1.00 43.30 H new ATOM 1126 N THR A 80 18.369 -15.130 5.778 1.00 60.12 N ATOM 1127 CA THR A 80 17.459 -14.609 6.790 1.00 21.22 C ATOM 1128 C THR A 80 16.790 -13.324 6.318 1.00 14.45 C ATOM 1129 O THR A 80 17.462 -12.360 5.950 1.00 53.30 O ATOM 1130 CB THR A 80 18.192 -14.336 8.117 1.00 1.11 C ATOM 1131 OG1 THR A 80 18.990 -15.469 8.478 1.00 12.25 O ATOM 1132 CG2 THR A 80 17.201 -14.032 9.230 1.00 12.41 C ATOM 0 H THR A 80 19.236 -14.603 5.679 1.00 60.12 H new ATOM 0 HA THR A 80 16.698 -15.372 6.954 1.00 21.22 H new ATOM 0 HB THR A 80 18.836 -13.468 7.979 1.00 1.11 H new ATOM 0 HG1 THR A 80 19.454 -15.287 9.322 1.00 12.25 H new ATOM 0 HG21 THR A 80 17.742 -13.843 10.157 1.00 12.41 H new ATOM 0 HG22 THR A 80 16.615 -13.152 8.965 1.00 12.41 H new ATOM 0 HG23 THR A 80 16.534 -14.884 9.366 1.00 12.41 H new ATOM 1140 N THR A 81 15.460 -13.314 6.333 1.00 62.45 N ATOM 1141 CA THR A 81 14.699 -12.147 5.906 1.00 44.13 C ATOM 1142 C THR A 81 14.814 -11.015 6.921 1.00 74.15 C ATOM 1143 O THR A 81 14.754 -11.243 8.129 1.00 63.51 O ATOM 1144 CB THR A 81 13.212 -12.490 5.701 1.00 14.34 C ATOM 1145 OG1 THR A 81 13.087 -13.702 4.949 1.00 41.30 O ATOM 1146 CG2 THR A 81 12.491 -11.362 4.979 1.00 54.21 C ATOM 0 H THR A 81 14.888 -14.102 6.637 1.00 62.45 H new ATOM 0 HA THR A 81 15.123 -11.823 4.955 1.00 44.13 H new ATOM 0 HB THR A 81 12.755 -12.623 6.681 1.00 14.34 H new ATOM 0 HG1 THR A 81 12.138 -13.914 4.825 1.00 41.30 H new ATOM 0 HG21 THR A 81 11.442 -11.627 4.846 1.00 54.21 H new ATOM 0 HG22 THR A 81 12.562 -10.448 5.569 1.00 54.21 H new ATOM 0 HG23 THR A 81 12.951 -11.201 4.004 1.00 54.21 H new ATOM 1154 N TYR A 82 14.977 -9.795 6.422 1.00 0.44 N ATOM 1155 CA TYR A 82 15.101 -8.627 7.287 1.00 42.25 C ATOM 1156 C TYR A 82 13.887 -7.714 7.146 1.00 1.42 C ATOM 1157 O TYR A 82 13.260 -7.654 6.088 1.00 15.43 O ATOM 1158 CB TYR A 82 16.377 -7.852 6.952 1.00 22.32 C ATOM 1159 CG TYR A 82 17.646 -8.625 7.235 1.00 50.33 C ATOM 1160 CD1 TYR A 82 17.903 -9.137 8.500 1.00 21.24 C ATOM 1161 CD2 TYR A 82 18.588 -8.841 6.237 1.00 71.23 C ATOM 1162 CE1 TYR A 82 19.061 -9.843 8.764 1.00 62.04 C ATOM 1163 CE2 TYR A 82 19.748 -9.547 6.490 1.00 31.13 C ATOM 1164 CZ TYR A 82 19.980 -10.046 7.755 1.00 2.32 C ATOM 1165 OH TYR A 82 21.135 -10.748 8.012 1.00 22.13 O ATOM 0 H TYR A 82 15.026 -9.589 5.424 1.00 0.44 H new ATOM 0 HA TYR A 82 15.154 -8.974 8.319 1.00 42.25 H new ATOM 0 HB2 TYR A 82 16.358 -7.575 5.898 1.00 22.32 H new ATOM 0 HB3 TYR A 82 16.390 -6.925 7.525 1.00 22.32 H new ATOM 0 HD1 TYR A 82 17.185 -8.981 9.291 1.00 21.24 H new ATOM 0 HD2 TYR A 82 18.410 -8.450 5.246 1.00 71.23 H new ATOM 0 HE1 TYR A 82 19.246 -10.233 9.754 1.00 62.04 H new ATOM 0 HE2 TYR A 82 20.469 -9.707 5.702 1.00 31.13 H new ATOM 0 HH TYR A 82 21.252 -11.445 7.333 1.00 22.13 H new ATOM 1175 N HIS A 83 13.562 -7.003 8.221 1.00 0.14 N ATOM 1176 CA HIS A 83 12.424 -6.091 8.219 1.00 12.35 C ATOM 1177 C HIS A 83 12.817 -4.730 8.786 1.00 1.13 C ATOM 1178 O HIS A 83 13.639 -4.640 9.699 1.00 51.14 O ATOM 1179 CB HIS A 83 11.270 -6.680 9.031 1.00 53.01 C ATOM 1180 CG HIS A 83 10.647 -7.886 8.398 1.00 53.13 C ATOM 1181 ND1 HIS A 83 9.323 -7.936 8.016 1.00 73.03 N ATOM 1182 CD2 HIS A 83 11.175 -9.091 8.078 1.00 12.44 C ATOM 1183 CE1 HIS A 83 9.063 -9.120 7.491 1.00 71.05 C ATOM 1184 NE2 HIS A 83 10.170 -9.839 7.516 1.00 23.43 N ATOM 0 H HIS A 83 14.071 -7.041 9.104 1.00 0.14 H new ATOM 0 HA HIS A 83 12.101 -5.956 7.187 1.00 12.35 H new ATOM 0 HB2 HIS A 83 11.634 -6.948 10.023 1.00 53.01 H new ATOM 0 HB3 HIS A 83 10.505 -5.915 9.168 1.00 53.01 H new ATOM 0 HD2 HIS A 83 12.196 -9.405 8.235 1.00 12.44 H new ATOM 0 HE1 HIS A 83 8.107 -9.445 7.107 1.00 71.05 H new ATOM 0 HE2 HIS A 83 10.264 -10.795 7.173 1.00 23.43 H new ATOM 1192 N VAL A 84 12.225 -3.673 8.239 1.00 5.22 N ATOM 1193 CA VAL A 84 12.514 -2.317 8.690 1.00 13.44 C ATOM 1194 C VAL A 84 11.246 -1.614 9.163 1.00 41.42 C ATOM 1195 O VAL A 84 10.214 -1.657 8.494 1.00 61.21 O ATOM 1196 CB VAL A 84 13.166 -1.480 7.573 1.00 34.14 C ATOM 1197 CG1 VAL A 84 13.694 -0.167 8.129 1.00 2.50 C ATOM 1198 CG2 VAL A 84 14.277 -2.269 6.898 1.00 43.53 C ATOM 0 H VAL A 84 11.543 -3.730 7.483 1.00 5.22 H new ATOM 0 HA VAL A 84 13.212 -2.402 9.523 1.00 13.44 H new ATOM 0 HB VAL A 84 12.408 -1.250 6.824 1.00 34.14 H new ATOM 0 HG11 VAL A 84 14.151 0.411 7.326 1.00 2.50 H new ATOM 0 HG12 VAL A 84 12.871 0.402 8.562 1.00 2.50 H new ATOM 0 HG13 VAL A 84 14.439 -0.371 8.898 1.00 2.50 H new ATOM 0 HG21 VAL A 84 14.727 -1.663 6.111 1.00 43.53 H new ATOM 0 HG22 VAL A 84 15.037 -2.530 7.634 1.00 43.53 H new ATOM 0 HG23 VAL A 84 13.864 -3.180 6.464 1.00 43.53 H new ATOM 1208 N MET A 85 11.332 -0.965 10.320 1.00 71.41 N ATOM 1209 CA MET A 85 10.191 -0.251 10.881 1.00 3.14 C ATOM 1210 C MET A 85 10.561 1.193 11.206 1.00 13.02 C ATOM 1211 O MET A 85 11.604 1.457 11.805 1.00 61.33 O ATOM 1212 CB MET A 85 9.690 -0.957 12.142 1.00 22.45 C ATOM 1213 CG MET A 85 8.175 -1.000 12.254 1.00 52.21 C ATOM 1214 SD MET A 85 7.487 0.516 12.947 1.00 33.34 S ATOM 1215 CE MET A 85 5.842 -0.034 13.397 1.00 4.12 C ATOM 0 H MET A 85 12.179 -0.919 10.887 1.00 71.41 H new ATOM 0 HA MET A 85 9.395 -0.246 10.136 1.00 3.14 H new ATOM 0 HB2 MET A 85 10.076 -1.976 12.155 1.00 22.45 H new ATOM 0 HB3 MET A 85 10.096 -0.451 13.018 1.00 22.45 H new ATOM 0 HG2 MET A 85 7.746 -1.171 11.267 1.00 52.21 H new ATOM 0 HG3 MET A 85 7.884 -1.845 12.878 1.00 52.21 H new ATOM 0 HE1 MET A 85 5.290 0.795 13.841 1.00 4.12 H new ATOM 0 HE2 MET A 85 5.319 -0.383 12.507 1.00 4.12 H new ATOM 0 HE3 MET A 85 5.915 -0.849 14.118 1.00 4.12 H new ATOM 1225 N ILE A 86 9.700 2.123 10.808 1.00 54.21 N ATOM 1226 CA ILE A 86 9.936 3.540 11.058 1.00 61.41 C ATOM 1227 C ILE A 86 8.827 4.139 11.916 1.00 23.02 C ATOM 1228 O ILE A 86 7.643 3.904 11.674 1.00 23.42 O ATOM 1229 CB ILE A 86 10.038 4.334 9.742 1.00 11.14 C ATOM 1230 CG1 ILE A 86 11.014 3.651 8.783 1.00 64.12 C ATOM 1231 CG2 ILE A 86 10.474 5.765 10.020 1.00 13.03 C ATOM 1232 CD1 ILE A 86 12.389 3.432 9.374 1.00 22.24 C ATOM 0 H ILE A 86 8.832 1.921 10.311 1.00 54.21 H new ATOM 0 HA ILE A 86 10.884 3.613 11.591 1.00 61.41 H new ATOM 0 HB ILE A 86 9.055 4.359 9.272 1.00 11.14 H new ATOM 0 HG12 ILE A 86 10.600 2.689 8.481 1.00 64.12 H new ATOM 0 HG13 ILE A 86 11.107 4.256 7.881 1.00 64.12 H new ATOM 0 HG21 ILE A 86 10.542 6.314 9.081 1.00 13.03 H new ATOM 0 HG22 ILE A 86 9.745 6.248 10.671 1.00 13.03 H new ATOM 0 HG23 ILE A 86 11.448 5.760 10.508 1.00 13.03 H new ATOM 0 HD11 ILE A 86 13.028 2.944 8.638 1.00 22.24 H new ATOM 0 HD12 ILE A 86 12.823 4.393 9.651 1.00 22.24 H new ATOM 0 HD13 ILE A 86 12.308 2.802 10.260 1.00 22.24 H new ATOM 1244 N LYS A 87 9.219 4.917 12.920 1.00 73.03 N ATOM 1245 CA LYS A 87 8.259 5.554 13.814 1.00 40.24 C ATOM 1246 C LYS A 87 8.694 6.976 14.155 1.00 60.23 C ATOM 1247 O LYS A 87 9.707 7.182 14.822 1.00 53.20 O ATOM 1248 CB LYS A 87 8.105 4.735 15.097 1.00 15.00 C ATOM 1249 CG LYS A 87 6.912 5.148 15.942 1.00 20.13 C ATOM 1250 CD LYS A 87 5.608 4.999 15.177 1.00 32.11 C ATOM 1251 CE LYS A 87 4.849 6.315 15.108 1.00 54.11 C ATOM 1252 NZ LYS A 87 4.027 6.546 16.328 1.00 12.11 N ATOM 0 H LYS A 87 10.195 5.121 13.135 1.00 73.03 H new ATOM 0 HA LYS A 87 7.298 5.600 13.302 1.00 40.24 H new ATOM 0 HB2 LYS A 87 8.008 3.681 14.836 1.00 15.00 H new ATOM 0 HB3 LYS A 87 9.013 4.833 15.692 1.00 15.00 H new ATOM 0 HG2 LYS A 87 6.877 4.539 16.845 1.00 20.13 H new ATOM 0 HG3 LYS A 87 7.032 6.184 16.260 1.00 20.13 H new ATOM 0 HD2 LYS A 87 5.816 4.644 14.168 1.00 32.11 H new ATOM 0 HD3 LYS A 87 4.987 4.244 15.659 1.00 32.11 H new ATOM 0 HE2 LYS A 87 5.556 7.136 14.986 1.00 54.11 H new ATOM 0 HE3 LYS A 87 4.204 6.316 14.230 1.00 54.11 H new ATOM 0 HZ1 LYS A 87 3.525 7.453 16.242 1.00 12.11 H new ATOM 0 HZ2 LYS A 87 3.335 5.776 16.431 1.00 12.11 H new ATOM 0 HZ3 LYS A 87 4.645 6.570 17.164 1.00 12.11 H new ATOM 1266 N GLY A 88 7.920 7.954 13.693 1.00 63.31 N ATOM 1267 CA GLY A 88 8.242 9.343 13.961 1.00 51.33 C ATOM 1268 C GLY A 88 7.548 9.871 15.201 1.00 75.44 C ATOM 1269 O GLY A 88 6.564 9.292 15.663 1.00 22.14 O ATOM 0 H GLY A 88 7.076 7.809 13.138 1.00 63.31 H new ATOM 0 HA2 GLY A 88 9.321 9.446 14.081 1.00 51.33 H new ATOM 0 HA3 GLY A 88 7.957 9.951 13.102 1.00 51.33 H new ATOM 1273 N TYR A 89 8.060 10.970 15.741 1.00 1.41 N ATOM 1274 CA TYR A 89 7.485 11.573 16.938 1.00 42.33 C ATOM 1275 C TYR A 89 6.575 12.743 16.575 1.00 62.10 C ATOM 1276 O TYR A 89 5.618 13.044 17.288 1.00 72.51 O ATOM 1277 CB TYR A 89 8.594 12.048 17.878 1.00 1.12 C ATOM 1278 CG TYR A 89 8.863 11.099 19.024 1.00 4.44 C ATOM 1279 CD1 TYR A 89 8.845 9.723 18.832 1.00 50.42 C ATOM 1280 CD2 TYR A 89 9.135 11.579 20.300 1.00 61.32 C ATOM 1281 CE1 TYR A 89 9.090 8.853 19.876 1.00 34.32 C ATOM 1282 CE2 TYR A 89 9.382 10.716 21.350 1.00 64.44 C ATOM 1283 CZ TYR A 89 9.358 9.354 21.133 1.00 63.41 C ATOM 1284 OH TYR A 89 9.603 8.490 22.176 1.00 13.43 O ATOM 0 H TYR A 89 8.872 11.462 15.369 1.00 1.41 H new ATOM 0 HA TYR A 89 6.888 10.815 17.445 1.00 42.33 H new ATOM 0 HB2 TYR A 89 9.512 12.182 17.305 1.00 1.12 H new ATOM 0 HB3 TYR A 89 8.324 13.024 18.281 1.00 1.12 H new ATOM 0 HD1 TYR A 89 8.636 9.327 17.849 1.00 50.42 H new ATOM 0 HD2 TYR A 89 9.154 12.645 20.473 1.00 61.32 H new ATOM 0 HE1 TYR A 89 9.072 7.786 19.709 1.00 34.32 H new ATOM 0 HE2 TYR A 89 9.593 11.105 22.335 1.00 64.44 H new ATOM 0 HH TYR A 89 9.775 9.004 22.993 1.00 13.43 H new ATOM 1294 N SER A 90 6.882 13.399 15.460 1.00 34.03 N ATOM 1295 CA SER A 90 6.094 14.538 15.003 1.00 64.02 C ATOM 1296 C SER A 90 6.248 14.735 13.498 1.00 73.23 C ATOM 1297 O SER A 90 7.348 14.637 12.957 1.00 44.10 O ATOM 1298 CB SER A 90 6.520 15.809 15.741 1.00 62.32 C ATOM 1299 OG SER A 90 7.912 16.036 15.604 1.00 62.24 O ATOM 0 H SER A 90 7.670 13.162 14.857 1.00 34.03 H new ATOM 0 HA SER A 90 5.046 14.334 15.221 1.00 64.02 H new ATOM 0 HB2 SER A 90 5.969 16.663 15.348 1.00 62.32 H new ATOM 0 HB3 SER A 90 6.265 15.723 16.797 1.00 62.32 H new ATOM 0 HG SER A 90 8.159 16.855 16.083 1.00 62.24 H new ATOM 1305 N ASN A 91 5.134 15.013 12.827 1.00 23.22 N ATOM 1306 CA ASN A 91 5.144 15.223 11.384 1.00 15.10 C ATOM 1307 C ASN A 91 6.475 15.811 10.929 1.00 45.45 C ATOM 1308 O ASN A 91 6.781 16.972 11.205 1.00 32.44 O ATOM 1309 CB ASN A 91 3.997 16.151 10.975 1.00 22.55 C ATOM 1310 CG ASN A 91 2.652 15.664 11.479 1.00 22.30 C ATOM 1311 OD1 ASN A 91 2.300 14.496 11.311 1.00 12.05 O ATOM 1312 ND2 ASN A 91 1.893 16.559 12.100 1.00 44.53 N ATOM 0 H ASN A 91 4.214 15.098 13.259 1.00 23.22 H new ATOM 0 HA ASN A 91 5.010 14.255 10.900 1.00 15.10 H new ATOM 0 HB2 ASN A 91 4.187 17.152 11.363 1.00 22.55 H new ATOM 0 HB3 ASN A 91 3.968 16.231 9.888 1.00 22.55 H new ATOM 0 HD21 ASN A 91 0.978 16.289 12.460 1.00 44.53 H new ATOM 0 HD22 ASN A 91 2.225 17.516 12.217 1.00 44.53 H new ATOM 1319 N TYR A 92 7.264 15.004 10.228 1.00 31.33 N ATOM 1320 CA TYR A 92 8.564 15.443 9.736 1.00 40.05 C ATOM 1321 C TYR A 92 9.044 14.551 8.595 1.00 41.02 C ATOM 1322 O TYR A 92 9.238 13.348 8.771 1.00 13.35 O ATOM 1323 CB TYR A 92 9.591 15.437 10.869 1.00 10.31 C ATOM 1324 CG TYR A 92 10.833 16.245 10.565 1.00 32.52 C ATOM 1325 CD1 TYR A 92 11.764 15.799 9.635 1.00 52.54 C ATOM 1326 CD2 TYR A 92 11.076 17.451 11.209 1.00 12.51 C ATOM 1327 CE1 TYR A 92 12.900 16.533 9.354 1.00 3.21 C ATOM 1328 CE2 TYR A 92 12.209 18.192 10.934 1.00 54.52 C ATOM 1329 CZ TYR A 92 13.118 17.729 10.006 1.00 51.21 C ATOM 1330 OH TYR A 92 14.248 18.464 9.730 1.00 63.30 O ATOM 0 H TYR A 92 7.025 14.042 9.988 1.00 31.33 H new ATOM 0 HA TYR A 92 8.456 16.460 9.358 1.00 40.05 H new ATOM 0 HB2 TYR A 92 9.125 15.829 11.773 1.00 10.31 H new ATOM 0 HB3 TYR A 92 9.880 14.408 11.081 1.00 10.31 H new ATOM 0 HD1 TYR A 92 11.597 14.863 9.123 1.00 52.54 H new ATOM 0 HD2 TYR A 92 10.367 17.816 11.937 1.00 12.51 H new ATOM 0 HE1 TYR A 92 13.614 16.173 8.628 1.00 3.21 H new ATOM 0 HE2 TYR A 92 12.382 19.129 11.443 1.00 54.52 H new ATOM 0 HH TYR A 92 14.249 19.279 10.274 1.00 63.30 H new ATOM 1340 N SER A 93 9.235 15.150 7.424 1.00 53.33 N ATOM 1341 CA SER A 93 9.689 14.411 6.252 1.00 42.12 C ATOM 1342 C SER A 93 10.980 15.008 5.700 1.00 25.12 C ATOM 1343 O SER A 93 11.280 16.180 5.922 1.00 41.30 O ATOM 1344 CB SER A 93 8.609 14.416 5.169 1.00 75.11 C ATOM 1345 OG SER A 93 8.064 15.713 4.998 1.00 73.22 O ATOM 0 H SER A 93 9.082 16.145 7.262 1.00 53.33 H new ATOM 0 HA SER A 93 9.884 13.383 6.556 1.00 42.12 H new ATOM 0 HB2 SER A 93 9.033 14.069 4.227 1.00 75.11 H new ATOM 0 HB3 SER A 93 7.816 13.718 5.438 1.00 75.11 H new ATOM 0 HG SER A 93 7.377 15.690 4.299 1.00 73.22 H new ATOM 1351 N GLY A 94 11.742 14.191 4.979 1.00 23.43 N ATOM 1352 CA GLY A 94 12.993 14.654 4.407 1.00 53.22 C ATOM 1353 C GLY A 94 14.184 13.848 4.886 1.00 53.22 C ATOM 1354 O GLY A 94 15.316 14.332 4.872 1.00 32.34 O ATOM 0 H GLY A 94 11.515 13.216 4.781 1.00 23.43 H new ATOM 0 HA2 GLY A 94 12.934 14.598 3.320 1.00 53.22 H new ATOM 0 HA3 GLY A 94 13.141 15.703 4.665 1.00 53.22 H new ATOM 1358 N VAL A 95 13.929 12.615 5.312 1.00 1.12 N ATOM 1359 CA VAL A 95 14.989 11.740 5.798 1.00 1.25 C ATOM 1360 C VAL A 95 15.195 10.554 4.863 1.00 44.32 C ATOM 1361 O VAL A 95 14.249 10.064 4.245 1.00 24.34 O ATOM 1362 CB VAL A 95 14.679 11.216 7.213 1.00 24.12 C ATOM 1363 CG1 VAL A 95 15.966 10.997 7.995 1.00 33.21 C ATOM 1364 CG2 VAL A 95 13.757 12.177 7.947 1.00 11.41 C ATOM 0 H VAL A 95 12.998 12.200 5.330 1.00 1.12 H new ATOM 0 HA VAL A 95 15.901 12.336 5.830 1.00 1.25 H new ATOM 0 HB VAL A 95 14.169 10.257 7.123 1.00 24.12 H new ATOM 0 HG11 VAL A 95 15.727 10.627 8.992 1.00 33.21 H new ATOM 0 HG12 VAL A 95 16.587 10.267 7.476 1.00 33.21 H new ATOM 0 HG13 VAL A 95 16.506 11.940 8.078 1.00 33.21 H new ATOM 0 HG21 VAL A 95 13.549 11.791 8.945 1.00 11.41 H new ATOM 0 HG22 VAL A 95 14.238 13.152 8.028 1.00 11.41 H new ATOM 0 HG23 VAL A 95 12.823 12.278 7.395 1.00 11.41 H new ATOM 1374 N THR A 96 16.439 10.096 4.762 1.00 44.30 N ATOM 1375 CA THR A 96 16.771 8.968 3.901 1.00 1.01 C ATOM 1376 C THR A 96 17.021 7.707 4.720 1.00 70.32 C ATOM 1377 O THR A 96 17.859 7.696 5.623 1.00 53.02 O ATOM 1378 CB THR A 96 18.015 9.264 3.042 1.00 71.51 C ATOM 1379 OG1 THR A 96 18.100 10.667 2.769 1.00 31.33 O ATOM 1380 CG2 THR A 96 17.965 8.490 1.733 1.00 31.42 C ATOM 0 H THR A 96 17.234 10.489 5.266 1.00 44.30 H new ATOM 0 HA THR A 96 15.915 8.808 3.245 1.00 1.01 H new ATOM 0 HB THR A 96 18.897 8.949 3.599 1.00 71.51 H new ATOM 0 HG1 THR A 96 18.894 10.847 2.224 1.00 31.33 H new ATOM 0 HG21 THR A 96 18.854 8.715 1.143 1.00 31.42 H new ATOM 0 HG22 THR A 96 17.930 7.421 1.943 1.00 31.42 H new ATOM 0 HG23 THR A 96 17.075 8.779 1.173 1.00 31.42 H new ATOM 1388 N LEU A 97 16.290 6.645 4.399 1.00 24.41 N ATOM 1389 CA LEU A 97 16.434 5.376 5.105 1.00 34.01 C ATOM 1390 C LEU A 97 16.942 4.285 4.168 1.00 41.54 C ATOM 1391 O LEU A 97 16.571 4.237 2.995 1.00 71.04 O ATOM 1392 CB LEU A 97 15.096 4.956 5.716 1.00 13.02 C ATOM 1393 CG LEU A 97 14.827 3.452 5.774 1.00 72.10 C ATOM 1394 CD1 LEU A 97 15.615 2.812 6.906 1.00 33.15 C ATOM 1395 CD2 LEU A 97 13.338 3.182 5.938 1.00 2.14 C ATOM 0 H LEU A 97 15.592 6.637 3.655 1.00 24.41 H new ATOM 0 HA LEU A 97 17.165 5.513 5.902 1.00 34.01 H new ATOM 0 HB2 LEU A 97 15.041 5.354 6.729 1.00 13.02 H new ATOM 0 HB3 LEU A 97 14.295 5.426 5.145 1.00 13.02 H new ATOM 0 HG LEU A 97 15.155 3.007 4.834 1.00 72.10 H new ATOM 0 HD11 LEU A 97 15.411 1.742 6.932 1.00 33.15 H new ATOM 0 HD12 LEU A 97 16.681 2.974 6.745 1.00 33.15 H new ATOM 0 HD13 LEU A 97 15.319 3.261 7.854 1.00 33.15 H new ATOM 0 HD21 LEU A 97 13.165 2.106 5.977 1.00 2.14 H new ATOM 0 HD22 LEU A 97 12.985 3.640 6.862 1.00 2.14 H new ATOM 0 HD23 LEU A 97 12.796 3.606 5.092 1.00 2.14 H new ATOM 1407 N LYS A 98 17.792 3.410 4.693 1.00 63.01 N ATOM 1408 CA LYS A 98 18.350 2.317 3.905 1.00 31.13 C ATOM 1409 C LYS A 98 18.632 1.102 4.784 1.00 44.33 C ATOM 1410 O LYS A 98 18.590 1.188 6.012 1.00 44.22 O ATOM 1411 CB LYS A 98 19.637 2.767 3.210 1.00 74.23 C ATOM 1412 CG LYS A 98 20.088 1.831 2.101 1.00 10.35 C ATOM 1413 CD LYS A 98 20.689 2.598 0.935 1.00 20.41 C ATOM 1414 CE LYS A 98 21.689 3.641 1.410 1.00 64.53 C ATOM 1415 NZ LYS A 98 22.848 3.760 0.482 1.00 40.31 N ATOM 0 H LYS A 98 18.110 3.436 5.662 1.00 63.01 H new ATOM 0 HA LYS A 98 17.616 2.035 3.150 1.00 31.13 H new ATOM 0 HB2 LYS A 98 19.486 3.763 2.794 1.00 74.23 H new ATOM 0 HB3 LYS A 98 20.432 2.848 3.952 1.00 74.23 H new ATOM 0 HG2 LYS A 98 20.823 1.128 2.493 1.00 10.35 H new ATOM 0 HG3 LYS A 98 19.239 1.243 1.752 1.00 10.35 H new ATOM 0 HD2 LYS A 98 21.182 1.902 0.256 1.00 20.41 H new ATOM 0 HD3 LYS A 98 19.894 3.085 0.370 1.00 20.41 H new ATOM 0 HE2 LYS A 98 21.192 4.607 1.497 1.00 64.53 H new ATOM 0 HE3 LYS A 98 22.046 3.375 2.405 1.00 64.53 H new ATOM 0 HZ1 LYS A 98 23.507 4.481 0.840 1.00 40.31 H new ATOM 0 HZ2 LYS A 98 23.337 2.844 0.418 1.00 40.31 H new ATOM 0 HZ3 LYS A 98 22.510 4.038 -0.461 1.00 40.31 H new ATOM 1429 N LEU A 99 18.921 -0.028 4.148 1.00 43.43 N ATOM 1430 CA LEU A 99 19.213 -1.260 4.872 1.00 73.14 C ATOM 1431 C LEU A 99 20.708 -1.392 5.143 1.00 50.13 C ATOM 1432 O LEU A 99 21.534 -1.025 4.308 1.00 51.44 O ATOM 1433 CB LEU A 99 18.718 -2.470 4.078 1.00 61.35 C ATOM 1434 CG LEU A 99 19.617 -3.707 4.109 1.00 44.44 C ATOM 1435 CD1 LEU A 99 18.796 -4.969 3.899 1.00 23.41 C ATOM 1436 CD2 LEU A 99 20.710 -3.598 3.055 1.00 1.10 C ATOM 0 H LEU A 99 18.959 -0.116 3.133 1.00 43.43 H new ATOM 0 HA LEU A 99 18.692 -1.222 5.829 1.00 73.14 H new ATOM 0 HB2 LEU A 99 17.735 -2.750 4.457 1.00 61.35 H new ATOM 0 HB3 LEU A 99 18.585 -2.168 3.039 1.00 61.35 H new ATOM 0 HG LEU A 99 20.089 -3.765 5.090 1.00 44.44 H new ATOM 0 HD11 LEU A 99 19.453 -5.839 3.924 1.00 23.41 H new ATOM 0 HD12 LEU A 99 18.051 -5.054 4.690 1.00 23.41 H new ATOM 0 HD13 LEU A 99 18.295 -4.921 2.932 1.00 23.41 H new ATOM 0 HD21 LEU A 99 21.340 -4.487 3.091 1.00 1.10 H new ATOM 0 HD22 LEU A 99 20.256 -3.515 2.067 1.00 1.10 H new ATOM 0 HD23 LEU A 99 21.317 -2.714 3.251 1.00 1.10 H new ATOM 1448 N GLN A 100 21.047 -1.920 6.314 1.00 25.20 N ATOM 1449 CA GLN A 100 22.444 -2.102 6.694 1.00 55.23 C ATOM 1450 C GLN A 100 22.915 -3.517 6.375 1.00 53.10 C ATOM 1451 O GLN A 100 22.475 -4.483 6.999 1.00 65.43 O ATOM 1452 CB GLN A 100 22.630 -1.813 8.184 1.00 5.11 C ATOM 1453 CG GLN A 100 21.431 -2.199 9.034 1.00 55.12 C ATOM 1454 CD GLN A 100 20.963 -3.617 8.773 1.00 31.22 C ATOM 1455 OE1 GLN A 100 20.127 -3.857 7.901 1.00 23.32 O ATOM 1456 NE2 GLN A 100 21.501 -4.567 9.530 1.00 53.41 N ATOM 0 H GLN A 100 20.375 -2.229 7.016 1.00 25.20 H new ATOM 0 HA GLN A 100 23.046 -1.400 6.117 1.00 55.23 H new ATOM 0 HB2 GLN A 100 23.507 -2.351 8.543 1.00 5.11 H new ATOM 0 HB3 GLN A 100 22.832 -0.750 8.317 1.00 5.11 H new ATOM 0 HG2 GLN A 100 21.689 -2.094 10.088 1.00 55.12 H new ATOM 0 HG3 GLN A 100 20.612 -1.508 8.835 1.00 55.12 H new ATOM 0 HE21 GLN A 100 22.190 -4.323 10.241 1.00 53.41 H new ATOM 0 HE22 GLN A 100 21.225 -5.540 9.400 1.00 53.41 H new ATOM 1465 N TYR A 101 23.810 -3.631 5.401 1.00 62.44 N ATOM 1466 CA TYR A 101 24.339 -4.929 4.997 1.00 11.01 C ATOM 1467 C TYR A 101 25.834 -5.022 5.287 1.00 71.04 C ATOM 1468 O TYR A 101 26.241 -5.442 6.368 1.00 24.41 O ATOM 1469 CB TYR A 101 24.081 -5.168 3.509 1.00 55.15 C ATOM 1470 CG TYR A 101 24.878 -4.258 2.602 1.00 63.12 C ATOM 1471 CD1 TYR A 101 24.512 -2.930 2.420 1.00 20.34 C ATOM 1472 CD2 TYR A 101 25.999 -4.726 1.927 1.00 23.53 C ATOM 1473 CE1 TYR A 101 25.238 -2.096 1.592 1.00 14.13 C ATOM 1474 CE2 TYR A 101 26.732 -3.899 1.098 1.00 12.14 C ATOM 1475 CZ TYR A 101 26.347 -2.585 0.934 1.00 53.32 C ATOM 1476 OH TYR A 101 27.073 -1.756 0.109 1.00 31.32 O ATOM 0 H TYR A 101 24.185 -2.841 4.876 1.00 62.44 H new ATOM 0 HA TYR A 101 23.826 -5.698 5.575 1.00 11.01 H new ATOM 0 HB2 TYR A 101 24.319 -6.204 3.270 1.00 55.15 H new ATOM 0 HB3 TYR A 101 23.019 -5.030 3.306 1.00 55.15 H new ATOM 0 HD1 TYR A 101 23.645 -2.543 2.935 1.00 20.34 H new ATOM 0 HD2 TYR A 101 26.303 -5.755 2.053 1.00 23.53 H new ATOM 0 HE1 TYR A 101 24.939 -1.067 1.461 1.00 14.13 H new ATOM 0 HE2 TYR A 101 27.601 -4.279 0.582 1.00 12.14 H new ATOM 0 HH TYR A 101 27.823 -2.254 -0.277 1.00 31.32 H new TER 1486 TYR A 101