USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 13 ASN : amide:sc= -0.825 K(o=-3.7,f=-2.3) USER MOD Set 1.2: A 16 HIS : no HD1:sc= -2.86! C(o=-3.7!,f=-3.5!) USER MOD Set 2.1: A 7 THR OG1 : rot -39:sc= -0.101! USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -23:sc= 0.901 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -0.0977 (180deg=-0.424) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -0.149 (180deg=-0.202) USER MOD Single : A 23 TYR OH : rot 76:sc= 0.435 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -148:sc= -0.0993 (180deg=-0.349) USER MOD Single : A 36 HIS : no HD1:sc= -0.876 X(o=-0.88,f=-0.89) USER MOD Single : A 38 SER OG : rot 180:sc= -0.113 USER MOD Single : A 44 MET CE :methyl -178:sc= -0.889 (180deg=-0.909) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0501 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 16:sc= 0.42 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.1) USER MOD Single : A 70 THR OG1 : rot 40:sc= -2.02! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 130:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 3.688 15.047 30.092 1.00 0.00 N ATOM 34 CA LYS A 3 4.931 14.531 29.533 1.00 0.00 C ATOM 35 C LYS A 3 6.012 15.605 29.546 1.00 0.00 C ATOM 36 O LYS A 3 6.270 16.253 28.532 1.00 0.00 O ATOM 37 CB LYS A 3 4.693 14.049 28.106 1.00 0.00 C ATOM 38 CG LYS A 3 3.892 15.069 27.299 1.00 0.00 C ATOM 39 CD LYS A 3 4.686 15.566 26.095 1.00 0.00 C ATOM 40 CE LYS A 3 3.761 16.091 25.000 1.00 0.00 C ATOM 41 NZ LYS A 3 3.311 17.482 25.291 1.00 0.00 N ATOM 0 HA LYS A 3 5.268 13.695 30.145 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.650 13.867 27.617 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.160 13.099 28.126 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.959 14.618 26.961 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.626 15.913 27.936 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.368 16.356 26.408 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.297 14.755 25.700 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.279 16.067 24.041 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.893 15.437 24.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.684 17.811 24.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.796 17.498 26.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.139 18.109 25.353 1.00 0.00 H new ATOM 55 N VAL A 4 6.647 15.785 30.701 1.00 0.00 N ATOM 56 CA VAL A 4 7.708 16.777 30.848 1.00 0.00 C ATOM 57 C VAL A 4 8.660 16.365 31.960 1.00 0.00 C ATOM 58 O VAL A 4 8.344 15.507 32.784 1.00 0.00 O ATOM 59 CB VAL A 4 7.102 18.157 31.134 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.992 18.050 32.176 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.158 19.169 31.583 1.00 0.00 C ATOM 0 H VAL A 4 6.445 15.256 31.550 1.00 0.00 H new ATOM 0 HA VAL A 4 8.273 16.835 29.917 1.00 0.00 H new ATOM 0 HB VAL A 4 6.678 18.522 30.199 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.574 19.039 32.366 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.208 17.390 31.806 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.400 17.645 33.102 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.682 20.131 31.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.637 18.814 32.495 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.908 19.284 30.800 1.00 0.00 H new ATOM 71 N THR A 5 9.827 16.988 31.968 1.00 0.00 N ATOM 72 CA THR A 5 10.845 16.703 32.972 1.00 0.00 C ATOM 73 C THR A 5 11.459 17.996 33.488 1.00 0.00 C ATOM 74 O THR A 5 11.697 18.931 32.724 1.00 0.00 O ATOM 75 CB THR A 5 11.934 15.815 32.376 1.00 0.00 C ATOM 76 OG1 THR A 5 11.933 15.929 30.961 1.00 0.00 O ATOM 77 CG2 THR A 5 11.731 14.359 32.784 1.00 0.00 C ATOM 0 H THR A 5 10.096 17.699 31.287 1.00 0.00 H new ATOM 0 HA THR A 5 10.374 16.181 33.805 1.00 0.00 H new ATOM 0 HB THR A 5 12.898 16.147 32.761 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.636 15.358 30.586 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.519 13.746 32.347 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.767 14.277 33.870 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.761 14.013 32.426 1.00 0.00 H new ATOM 85 N PHE A 6 11.719 18.041 34.790 1.00 0.00 N ATOM 86 CA PHE A 6 12.312 19.217 35.414 1.00 0.00 C ATOM 87 C PHE A 6 13.773 18.947 35.749 1.00 0.00 C ATOM 88 O PHE A 6 14.219 17.801 35.729 1.00 0.00 O ATOM 89 CB PHE A 6 11.540 19.579 36.680 1.00 0.00 C ATOM 90 CG PHE A 6 10.191 20.188 36.388 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.210 19.436 35.762 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.931 21.501 36.746 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.972 19.996 35.494 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.692 22.060 36.478 1.00 0.00 C ATOM 95 CZ PHE A 6 7.713 21.307 35.852 1.00 0.00 C ATOM 0 H PHE A 6 11.528 17.274 35.435 1.00 0.00 H new ATOM 0 HA PHE A 6 12.260 20.054 34.718 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.406 18.683 37.287 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.129 20.279 37.272 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.411 18.412 35.483 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.694 22.089 37.234 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.208 19.409 35.005 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.490 23.083 36.757 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.747 21.743 35.643 1.00 0.00 H new ATOM 105 N THR A 7 14.517 20.005 36.052 1.00 0.00 N ATOM 106 CA THR A 7 15.931 19.868 36.386 1.00 0.00 C ATOM 107 C THR A 7 16.420 21.091 37.149 1.00 0.00 C ATOM 108 O THR A 7 16.654 22.148 36.563 1.00 0.00 O ATOM 109 CB THR A 7 16.753 19.688 35.113 1.00 0.00 C ATOM 110 OG1 THR A 7 16.048 18.869 34.192 1.00 0.00 O ATOM 111 CG2 THR A 7 18.112 19.069 35.430 1.00 0.00 C ATOM 0 H THR A 7 14.167 20.963 36.073 1.00 0.00 H new ATOM 0 HA THR A 7 16.054 18.989 37.019 1.00 0.00 H new ATOM 0 HB THR A 7 16.918 20.669 34.667 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.602 18.142 34.675 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.681 18.950 34.508 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.658 19.720 36.112 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.968 18.094 35.896 1.00 0.00 H new ATOM 119 N VAL A 8 16.576 20.939 38.458 1.00 0.00 N ATOM 120 CA VAL A 8 17.043 22.029 39.306 1.00 0.00 C ATOM 121 C VAL A 8 18.424 22.487 38.859 1.00 0.00 C ATOM 122 O VAL A 8 19.439 21.925 39.272 1.00 0.00 O ATOM 123 CB VAL A 8 17.089 21.570 40.759 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.573 22.701 41.663 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.716 21.076 41.204 1.00 0.00 C ATOM 0 H VAL A 8 16.386 20.070 38.957 1.00 0.00 H new ATOM 0 HA VAL A 8 16.351 22.867 39.219 1.00 0.00 H new ATOM 0 HB VAL A 8 17.795 20.743 40.839 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.599 22.355 42.696 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.573 23.008 41.358 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.892 23.549 41.581 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.765 20.752 42.243 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.991 21.884 41.110 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.410 20.239 40.577 1.00 0.00 H new ATOM 135 N GLU A 9 18.457 23.509 38.009 1.00 0.00 N ATOM 136 CA GLU A 9 19.715 24.045 37.499 1.00 0.00 C ATOM 137 C GLU A 9 20.685 24.314 38.641 1.00 0.00 C ATOM 138 O GLU A 9 20.293 24.342 39.808 1.00 0.00 O ATOM 139 CB GLU A 9 19.456 25.334 36.725 1.00 0.00 C ATOM 140 CG GLU A 9 18.895 25.040 35.339 1.00 0.00 C ATOM 141 CD GLU A 9 19.958 25.284 34.276 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.989 24.580 34.293 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.758 26.179 33.429 1.00 0.00 O ATOM 0 H GLU A 9 17.625 23.984 37.658 1.00 0.00 H new ATOM 0 HA GLU A 9 20.160 23.307 36.831 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.756 25.960 37.279 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.384 25.899 36.633 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.552 24.006 35.290 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.028 25.673 35.148 1.00 0.00 H new ATOM 150 N LYS A 10 21.953 24.513 38.298 1.00 0.00 N ATOM 151 CA LYS A 10 22.985 24.782 39.293 1.00 0.00 C ATOM 152 C LYS A 10 22.963 26.251 39.697 1.00 0.00 C ATOM 153 O LYS A 10 23.970 26.949 39.585 1.00 0.00 O ATOM 154 CB LYS A 10 24.357 24.419 38.731 1.00 0.00 C ATOM 155 CG LYS A 10 24.569 25.035 37.350 1.00 0.00 C ATOM 156 CD LYS A 10 26.039 25.370 37.113 1.00 0.00 C ATOM 157 CE LYS A 10 26.193 26.711 36.402 1.00 0.00 C ATOM 158 NZ LYS A 10 27.190 27.579 37.091 1.00 0.00 N ATOM 0 H LYS A 10 22.292 24.493 37.336 1.00 0.00 H new ATOM 0 HA LYS A 10 22.786 24.173 40.175 1.00 0.00 H new ATOM 0 HB2 LYS A 10 25.135 24.767 39.411 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.451 23.335 38.667 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.223 24.342 36.583 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.968 25.939 37.256 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.566 25.399 38.067 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.502 24.584 36.516 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.504 26.544 35.371 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.229 27.219 36.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.272 28.483 36.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.880 27.757 38.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.115 27.103 37.103 1.00 0.00 H new ATOM 172 N GLY A 11 21.809 26.716 40.167 1.00 0.00 N ATOM 173 CA GLY A 11 21.657 28.105 40.586 1.00 0.00 C ATOM 174 C GLY A 11 20.901 28.201 41.907 1.00 0.00 C ATOM 175 O GLY A 11 20.350 29.251 42.239 1.00 0.00 O ATOM 0 H GLY A 11 20.966 26.151 40.267 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.639 28.566 40.691 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.124 28.664 39.817 1.00 0.00 H new ATOM 179 N SER A 12 20.879 27.106 42.663 1.00 0.00 N ATOM 180 CA SER A 12 20.192 27.082 43.949 1.00 0.00 C ATOM 181 C SER A 12 21.004 27.843 44.987 1.00 0.00 C ATOM 182 O SER A 12 22.060 27.386 45.424 1.00 0.00 O ATOM 183 CB SER A 12 19.977 25.642 44.404 1.00 0.00 C ATOM 184 OG SER A 12 21.103 25.173 45.129 1.00 0.00 O ATOM 0 H SER A 12 21.328 26.227 42.407 1.00 0.00 H new ATOM 0 HA SER A 12 19.220 27.563 43.838 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.085 25.582 45.028 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.804 25.003 43.538 1.00 0.00 H new ATOM 0 HG SER A 12 21.893 25.697 44.882 1.00 0.00 H new ATOM 190 N ASN A 13 20.506 29.011 45.370 1.00 0.00 N ATOM 191 CA ASN A 13 21.185 29.852 46.351 1.00 0.00 C ATOM 192 C ASN A 13 20.684 29.553 47.758 1.00 0.00 C ATOM 193 O ASN A 13 20.063 28.519 48.002 1.00 0.00 O ATOM 194 CB ASN A 13 20.957 31.325 46.018 1.00 0.00 C ATOM 195 CG ASN A 13 21.170 31.569 44.529 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.118 31.055 43.935 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.286 32.355 43.926 1.00 0.00 N ATOM 0 H ASN A 13 19.632 29.400 45.016 1.00 0.00 H new ATOM 0 HA ASN A 13 22.252 29.635 46.313 1.00 0.00 H new ATOM 0 HB2 ASN A 13 19.945 31.616 46.300 1.00 0.00 H new ATOM 0 HB3 ASN A 13 21.641 31.946 46.597 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.377 32.555 42.930 1.00 0.00 H new ATOM 0 HD22 ASN A 13 19.516 32.759 44.459 1.00 0.00 H new ATOM 204 N GLU A 14 20.965 30.466 48.682 1.00 0.00 N ATOM 205 CA GLU A 14 20.552 30.307 50.074 1.00 0.00 C ATOM 206 C GLU A 14 19.047 30.091 50.171 1.00 0.00 C ATOM 207 O GLU A 14 18.575 29.331 51.017 1.00 0.00 O ATOM 208 CB GLU A 14 20.954 31.536 50.887 1.00 0.00 C ATOM 209 CG GLU A 14 20.704 32.828 50.113 1.00 0.00 C ATOM 210 CD GLU A 14 20.520 33.995 51.076 1.00 0.00 C ATOM 211 OE1 GLU A 14 20.729 33.802 52.292 1.00 0.00 O ATOM 212 OE2 GLU A 14 20.168 35.100 50.612 1.00 0.00 O ATOM 0 H GLU A 14 21.479 31.327 48.492 1.00 0.00 H new ATOM 0 HA GLU A 14 21.055 29.429 50.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.391 31.556 51.820 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.009 31.468 51.152 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.542 33.028 49.445 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.817 32.720 49.488 1.00 0.00 H new ATOM 219 N LYS A 15 18.294 30.763 49.306 1.00 0.00 N ATOM 220 CA LYS A 15 16.839 30.641 49.305 1.00 0.00 C ATOM 221 C LYS A 15 16.290 30.791 47.892 1.00 0.00 C ATOM 222 O LYS A 15 15.314 31.507 47.668 1.00 0.00 O ATOM 223 CB LYS A 15 16.213 31.691 50.227 1.00 0.00 C ATOM 224 CG LYS A 15 16.981 33.013 50.193 1.00 0.00 C ATOM 225 CD LYS A 15 16.740 33.765 48.888 1.00 0.00 C ATOM 226 CE LYS A 15 15.287 34.216 48.773 1.00 0.00 C ATOM 227 NZ LYS A 15 14.907 35.108 49.905 1.00 0.00 N ATOM 0 H LYS A 15 18.665 31.396 48.598 1.00 0.00 H new ATOM 0 HA LYS A 15 16.579 29.650 49.676 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.179 31.865 49.929 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.191 31.310 51.248 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.675 33.635 51.034 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.047 32.819 50.311 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.398 34.632 48.838 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.993 33.124 48.043 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.140 34.740 47.829 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.633 33.344 48.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.130 35.733 49.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.599 34.531 50.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.727 35.684 50.184 1.00 0.00 H new ATOM 241 N HIS A 16 16.920 30.108 46.943 1.00 0.00 N ATOM 242 CA HIS A 16 16.494 30.159 45.548 1.00 0.00 C ATOM 243 C HIS A 16 16.444 28.754 44.961 1.00 0.00 C ATOM 244 O HIS A 16 17.179 27.865 45.392 1.00 0.00 O ATOM 245 CB HIS A 16 17.451 31.032 44.741 1.00 0.00 C ATOM 246 CG HIS A 16 17.175 32.494 44.899 1.00 0.00 C ATOM 247 ND1 HIS A 16 17.716 33.257 45.901 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.406 33.354 44.182 1.00 0.00 C ATOM 249 CE1 HIS A 16 17.312 34.503 45.816 1.00 0.00 C ATOM 250 NE2 HIS A 16 16.506 34.601 44.772 1.00 0.00 N ATOM 0 H HIS A 16 17.729 29.511 47.114 1.00 0.00 H new ATOM 0 HA HIS A 16 15.495 30.593 45.501 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.475 30.824 45.052 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.378 30.765 43.687 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.821 33.108 43.308 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.589 35.307 46.482 1.00 0.00 H new ATOM 0 HE2 HIS A 16 16.038 35.451 44.456 1.00 0.00 H new ATOM 258 N LEU A 17 15.570 28.558 43.979 1.00 0.00 N ATOM 259 CA LEU A 17 15.419 27.257 43.335 1.00 0.00 C ATOM 260 C LEU A 17 15.296 27.421 41.826 1.00 0.00 C ATOM 261 O LEU A 17 14.199 27.609 41.300 1.00 0.00 O ATOM 262 CB LEU A 17 14.183 26.548 43.882 1.00 0.00 C ATOM 263 CG LEU A 17 14.131 25.091 43.430 1.00 0.00 C ATOM 264 CD1 LEU A 17 15.429 24.370 43.782 1.00 0.00 C ATOM 265 CD2 LEU A 17 12.937 24.379 44.061 1.00 0.00 C ATOM 0 H LEU A 17 14.955 29.284 43.611 1.00 0.00 H new ATOM 0 HA LEU A 17 16.303 26.657 43.550 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.188 26.593 44.971 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.285 27.067 43.546 1.00 0.00 H new ATOM 0 HG LEU A 17 14.013 25.073 42.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.371 23.333 43.451 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.265 24.863 43.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.580 24.398 44.861 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.915 23.341 43.728 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.027 24.410 45.147 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.015 24.877 43.759 1.00 0.00 H new ATOM 277 N ALA A 18 16.427 27.347 41.132 1.00 0.00 N ATOM 278 CA ALA A 18 16.446 27.485 39.680 1.00 0.00 C ATOM 279 C ALA A 18 16.225 26.130 39.017 1.00 0.00 C ATOM 280 O ALA A 18 16.967 25.180 39.265 1.00 0.00 O ATOM 281 CB ALA A 18 17.781 28.072 39.230 1.00 0.00 C ATOM 0 H ALA A 18 17.343 27.192 41.552 1.00 0.00 H new ATOM 0 HA ALA A 18 15.641 28.157 39.382 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.787 28.172 38.145 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.919 29.053 39.685 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.591 27.411 39.538 1.00 0.00 H new ATOM 287 N VAL A 19 15.198 26.045 38.176 1.00 0.00 N ATOM 288 CA VAL A 19 14.878 24.800 37.480 1.00 0.00 C ATOM 289 C VAL A 19 14.923 25.004 35.971 1.00 0.00 C ATOM 290 O VAL A 19 14.556 26.064 35.466 1.00 0.00 O ATOM 291 CB VAL A 19 13.491 24.318 37.893 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.461 23.974 39.379 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.442 25.375 37.567 1.00 0.00 C ATOM 0 H VAL A 19 14.573 26.822 37.959 1.00 0.00 H new ATOM 0 HA VAL A 19 15.619 24.049 37.753 1.00 0.00 H new ATOM 0 HB VAL A 19 13.259 23.415 37.329 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.463 23.632 39.653 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.184 23.185 39.584 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.715 24.859 39.963 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.458 25.016 37.868 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.673 26.295 38.105 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.444 25.572 36.495 1.00 0.00 H new ATOM 303 N LEU A 20 15.369 23.977 35.253 1.00 0.00 N ATOM 304 CA LEU A 20 15.458 24.039 33.797 1.00 0.00 C ATOM 305 C LEU A 20 14.171 23.523 33.167 1.00 0.00 C ATOM 306 O LEU A 20 14.080 22.357 32.781 1.00 0.00 O ATOM 307 CB LEU A 20 16.645 23.210 33.312 1.00 0.00 C ATOM 308 CG LEU A 20 17.449 23.961 32.255 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.692 23.166 31.862 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.586 24.249 31.030 1.00 0.00 C ATOM 0 H LEU A 20 15.675 23.091 35.656 1.00 0.00 H new ATOM 0 HA LEU A 20 15.602 25.077 33.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.289 22.965 34.156 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.288 22.267 32.899 1.00 0.00 H new ATOM 0 HG LEU A 20 17.770 24.912 32.679 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.253 23.717 31.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.319 23.013 32.740 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.393 22.199 31.457 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.176 24.785 30.287 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.233 23.310 30.604 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.731 24.858 31.322 1.00 0.00 H new ATOM 322 N VAL A 21 13.175 24.398 33.070 1.00 0.00 N ATOM 323 CA VAL A 21 11.886 24.034 32.490 1.00 0.00 C ATOM 324 C VAL A 21 11.888 24.279 30.987 1.00 0.00 C ATOM 325 O VAL A 21 11.720 25.411 30.533 1.00 0.00 O ATOM 326 CB VAL A 21 10.773 24.847 33.144 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.406 24.359 32.674 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.875 24.772 34.665 1.00 0.00 C ATOM 0 H VAL A 21 13.236 25.366 33.386 1.00 0.00 H new ATOM 0 HA VAL A 21 11.712 22.973 32.671 1.00 0.00 H new ATOM 0 HB VAL A 21 10.888 25.889 32.844 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.625 24.951 33.151 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.333 24.467 31.592 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.282 23.310 32.943 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.073 25.358 35.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.788 23.734 34.985 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.838 25.171 34.985 1.00 0.00 H new ATOM 338 N LYS A 22 12.076 23.211 30.218 1.00 0.00 N ATOM 339 CA LYS A 22 12.097 23.307 28.762 1.00 0.00 C ATOM 340 C LYS A 22 12.454 21.959 28.147 1.00 0.00 C ATOM 341 O LYS A 22 13.373 21.281 28.606 1.00 0.00 O ATOM 342 CB LYS A 22 13.105 24.363 28.319 1.00 0.00 C ATOM 343 CG LYS A 22 14.470 24.128 28.959 1.00 0.00 C ATOM 344 CD LYS A 22 15.352 23.253 28.073 1.00 0.00 C ATOM 345 CE LYS A 22 16.299 24.098 27.227 1.00 0.00 C ATOM 346 NZ LYS A 22 15.547 25.056 26.367 1.00 0.00 N ATOM 0 H LYS A 22 12.216 22.268 30.579 1.00 0.00 H new ATOM 0 HA LYS A 22 11.104 23.598 28.419 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.202 24.344 27.233 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.740 25.354 28.589 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.962 25.085 29.134 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.342 23.653 29.931 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.929 22.568 28.694 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.726 22.643 27.422 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.980 24.647 27.878 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.911 23.447 26.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.201 25.507 25.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.810 24.545 25.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.105 25.785 26.963 1.00 0.00 H new ATOM 360 N TYR A 23 11.722 21.579 27.105 1.00 0.00 N ATOM 361 CA TYR A 23 11.959 20.311 26.419 1.00 0.00 C ATOM 362 C TYR A 23 12.062 20.540 24.916 1.00 0.00 C ATOM 363 O TYR A 23 12.077 21.681 24.456 1.00 0.00 O ATOM 364 CB TYR A 23 10.833 19.317 26.727 1.00 0.00 C ATOM 365 CG TYR A 23 9.500 19.972 26.979 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.202 20.469 28.234 1.00 0.00 C ATOM 367 CD2 TYR A 23 8.573 20.070 25.959 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.976 21.066 28.468 1.00 0.00 C ATOM 369 CE2 TYR A 23 7.347 20.667 26.193 1.00 0.00 C ATOM 370 CZ TYR A 23 7.054 21.162 27.447 1.00 0.00 C ATOM 371 OH TYR A 23 5.835 21.756 27.680 1.00 0.00 O ATOM 0 H TYR A 23 10.958 22.131 26.715 1.00 0.00 H new ATOM 0 HA TYR A 23 12.899 19.892 26.777 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.735 18.623 25.893 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.109 18.728 27.601 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.926 20.391 29.032 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.806 19.680 24.979 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.742 21.456 29.448 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.622 20.745 25.397 1.00 0.00 H new ATOM 0 HH TYR A 23 5.946 22.729 27.710 1.00 0.00 H new ATOM 381 N GLU A 24 12.140 19.449 24.152 1.00 0.00 N ATOM 382 CA GLU A 24 12.248 19.522 22.691 1.00 0.00 C ATOM 383 C GLU A 24 11.340 20.611 22.124 1.00 0.00 C ATOM 384 O GLU A 24 11.803 21.527 21.445 1.00 0.00 O ATOM 385 CB GLU A 24 11.881 18.172 22.081 1.00 0.00 C ATOM 386 CG GLU A 24 11.942 18.220 20.557 1.00 0.00 C ATOM 387 CD GLU A 24 11.277 16.985 19.964 1.00 0.00 C ATOM 388 OE1 GLU A 24 10.042 17.004 19.780 1.00 0.00 O ATOM 389 OE2 GLU A 24 11.993 16.000 19.683 1.00 0.00 O ATOM 0 H GLU A 24 12.130 18.499 24.522 1.00 0.00 H new ATOM 0 HA GLU A 24 13.278 19.773 22.436 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.562 17.406 22.451 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.878 17.887 22.399 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.444 19.119 20.194 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.980 18.276 20.229 1.00 0.00 H new ATOM 396 N GLY A 25 10.046 20.507 22.410 1.00 0.00 N ATOM 397 CA GLY A 25 9.075 21.485 21.932 1.00 0.00 C ATOM 398 C GLY A 25 8.930 22.629 22.927 1.00 0.00 C ATOM 399 O GLY A 25 9.853 22.923 23.687 1.00 0.00 O ATOM 0 H GLY A 25 9.645 19.755 22.971 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.391 21.876 20.965 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.109 21.003 21.781 1.00 0.00 H new ATOM 403 N ASP A 26 7.766 23.272 22.919 1.00 0.00 N ATOM 404 CA ASP A 26 7.500 24.387 23.824 1.00 0.00 C ATOM 405 C ASP A 26 8.360 25.588 23.454 1.00 0.00 C ATOM 406 O ASP A 26 9.513 25.436 23.051 1.00 0.00 O ATOM 407 CB ASP A 26 7.785 23.967 25.263 1.00 0.00 C ATOM 408 CG ASP A 26 7.126 24.934 26.238 1.00 0.00 C ATOM 409 OD1 ASP A 26 6.892 26.100 25.857 1.00 0.00 O ATOM 410 OD2 ASP A 26 6.845 24.523 27.384 1.00 0.00 O ATOM 0 H ASP A 26 6.992 23.041 22.296 1.00 0.00 H new ATOM 0 HA ASP A 26 6.451 24.668 23.734 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.412 22.957 25.435 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.861 23.943 25.435 1.00 0.00 H new ATOM 415 N THR A 27 7.794 26.782 23.597 1.00 0.00 N ATOM 416 CA THR A 27 8.511 28.014 23.280 1.00 0.00 C ATOM 417 C THR A 27 8.637 28.910 24.514 1.00 0.00 C ATOM 418 O THR A 27 8.993 30.084 24.408 1.00 0.00 O ATOM 419 CB THR A 27 7.783 28.758 22.165 1.00 0.00 C ATOM 420 OG1 THR A 27 7.662 27.924 21.024 1.00 0.00 O ATOM 421 CG2 THR A 27 8.523 30.037 21.801 1.00 0.00 C ATOM 0 H THR A 27 6.841 26.924 23.930 1.00 0.00 H new ATOM 0 HA THR A 27 9.516 27.754 22.948 1.00 0.00 H new ATOM 0 HB THR A 27 6.787 29.025 22.519 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.192 28.408 20.313 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.988 30.553 21.004 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.583 30.684 22.676 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.529 29.791 21.462 1.00 0.00 H new ATOM 429 N MET A 28 8.354 28.353 25.685 1.00 0.00 N ATOM 430 CA MET A 28 8.443 29.104 26.934 1.00 0.00 C ATOM 431 C MET A 28 7.510 30.308 26.903 1.00 0.00 C ATOM 432 O MET A 28 7.695 31.229 26.108 1.00 0.00 O ATOM 433 CB MET A 28 9.877 29.571 27.158 1.00 0.00 C ATOM 434 CG MET A 28 10.830 28.388 27.310 1.00 0.00 C ATOM 435 SD MET A 28 12.557 28.873 27.153 1.00 0.00 S ATOM 436 CE MET A 28 13.172 28.491 28.801 1.00 0.00 C ATOM 0 H MET A 28 8.060 27.383 25.797 1.00 0.00 H new ATOM 0 HA MET A 28 8.143 28.450 27.753 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.195 30.191 26.320 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.923 30.195 28.051 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.673 27.922 28.283 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.596 27.637 26.555 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.963 29.192 29.066 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.358 28.573 29.521 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.568 27.475 28.815 1.00 0.00 H new ATOM 446 N ALA A 29 6.509 30.295 27.776 1.00 0.00 N ATOM 447 CA ALA A 29 5.545 31.388 27.855 1.00 0.00 C ATOM 448 C ALA A 29 5.460 31.910 29.284 1.00 0.00 C ATOM 449 O ALA A 29 5.685 33.093 29.538 1.00 0.00 O ATOM 450 CB ALA A 29 4.174 30.906 27.392 1.00 0.00 C ATOM 0 H ALA A 29 6.343 29.539 28.440 1.00 0.00 H new ATOM 0 HA ALA A 29 5.875 32.198 27.204 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.460 31.727 27.454 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.240 30.559 26.361 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.842 30.087 28.030 1.00 0.00 H new ATOM 456 N GLU A 30 5.139 31.017 30.214 1.00 0.00 N ATOM 457 CA GLU A 30 5.027 31.379 31.623 1.00 0.00 C ATOM 458 C GLU A 30 5.205 30.144 32.498 1.00 0.00 C ATOM 459 O GLU A 30 5.167 29.016 32.007 1.00 0.00 O ATOM 460 CB GLU A 30 3.670 32.021 31.892 1.00 0.00 C ATOM 461 CG GLU A 30 3.828 33.397 32.532 1.00 0.00 C ATOM 462 CD GLU A 30 2.560 33.780 33.284 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.362 33.279 34.411 1.00 0.00 O ATOM 464 OE2 GLU A 30 1.768 34.582 32.746 1.00 0.00 O ATOM 0 H GLU A 30 4.951 30.034 30.017 1.00 0.00 H new ATOM 0 HA GLU A 30 5.811 32.097 31.865 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.117 32.113 30.957 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.084 31.377 32.548 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.677 33.392 33.216 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.042 34.140 31.764 1.00 0.00 H new ATOM 471 N VAL A 31 5.400 30.361 33.796 1.00 0.00 N ATOM 472 CA VAL A 31 5.586 29.260 34.737 1.00 0.00 C ATOM 473 C VAL A 31 5.120 29.665 36.128 1.00 0.00 C ATOM 474 O VAL A 31 5.215 30.831 36.510 1.00 0.00 O ATOM 475 CB VAL A 31 7.057 28.856 34.783 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.247 27.621 35.660 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.586 28.601 33.374 1.00 0.00 C ATOM 0 H VAL A 31 5.433 31.288 34.220 1.00 0.00 H new ATOM 0 HA VAL A 31 4.990 28.411 34.400 1.00 0.00 H new ATOM 0 HB VAL A 31 7.626 29.677 35.220 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.302 27.348 35.681 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.909 27.839 36.673 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.666 26.793 35.253 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.636 28.314 33.426 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.013 27.798 32.910 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.487 29.508 32.778 1.00 0.00 H new ATOM 487 N GLU A 32 4.618 28.694 36.884 1.00 0.00 N ATOM 488 CA GLU A 32 4.141 28.944 38.235 1.00 0.00 C ATOM 489 C GLU A 32 4.571 27.810 39.161 1.00 0.00 C ATOM 490 O GLU A 32 4.675 26.659 38.738 1.00 0.00 O ATOM 491 CB GLU A 32 2.620 29.100 38.225 1.00 0.00 C ATOM 492 CG GLU A 32 1.904 27.759 38.069 1.00 0.00 C ATOM 493 CD GLU A 32 0.465 27.978 37.618 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.190 29.021 36.989 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.384 27.105 37.895 1.00 0.00 O ATOM 0 H GLU A 32 4.532 27.724 36.580 1.00 0.00 H new ATOM 0 HA GLU A 32 4.579 29.869 38.609 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.299 29.576 39.152 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.330 29.762 37.409 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.430 27.140 37.342 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.918 27.219 39.016 1.00 0.00 H new ATOM 502 N LEU A 33 4.836 28.143 40.420 1.00 0.00 N ATOM 503 CA LEU A 33 5.273 27.157 41.392 1.00 0.00 C ATOM 504 C LEU A 33 4.410 27.241 42.655 1.00 0.00 C ATOM 505 O LEU A 33 4.097 28.330 43.136 1.00 0.00 O ATOM 506 CB LEU A 33 6.761 27.408 41.696 1.00 0.00 C ATOM 507 CG LEU A 33 7.182 26.926 43.083 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.036 25.412 43.194 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.614 27.350 43.387 1.00 0.00 C ATOM 0 H LEU A 33 4.754 29.091 40.788 1.00 0.00 H new ATOM 0 HA LEU A 33 5.158 26.148 40.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.369 26.905 40.944 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.967 28.475 41.611 1.00 0.00 H new ATOM 0 HG LEU A 33 6.524 27.388 43.819 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.341 25.089 44.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.996 25.133 43.025 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.667 24.930 42.447 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.895 26.997 44.379 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.286 26.919 42.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.686 28.437 43.355 1.00 0.00 H new ATOM 521 N ARG A 34 4.049 26.078 43.189 1.00 0.00 N ATOM 522 CA ARG A 34 3.242 25.999 44.402 1.00 0.00 C ATOM 523 C ARG A 34 3.966 25.152 45.442 1.00 0.00 C ATOM 524 O ARG A 34 4.920 24.445 45.118 1.00 0.00 O ATOM 525 CB ARG A 34 1.878 25.389 44.086 1.00 0.00 C ATOM 526 CG ARG A 34 0.924 25.515 45.272 1.00 0.00 C ATOM 527 CD ARG A 34 -0.498 25.121 44.882 1.00 0.00 C ATOM 528 NE ARG A 34 -0.542 23.718 44.483 1.00 0.00 N ATOM 529 CZ ARG A 34 -0.992 22.772 45.302 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.063 22.994 46.051 1.00 0.00 N ATOM 531 NH2 ARG A 34 -0.368 21.604 45.375 1.00 0.00 N ATOM 0 H ARG A 34 4.305 25.172 42.797 1.00 0.00 H new ATOM 0 HA ARG A 34 3.092 27.003 44.799 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.448 25.886 43.217 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.999 24.338 43.825 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.269 24.880 46.088 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.932 26.541 45.641 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.173 25.289 45.721 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.846 25.750 44.063 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.219 23.456 43.552 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.544 23.892 46.000 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.406 22.267 46.678 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.458 21.431 44.803 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.714 20.879 46.004 1.00 0.00 H new ATOM 545 N GLU A 35 3.514 25.221 46.690 1.00 0.00 N ATOM 546 CA GLU A 35 4.133 24.453 47.763 1.00 0.00 C ATOM 547 C GLU A 35 3.120 23.493 48.365 1.00 0.00 C ATOM 548 O GLU A 35 3.070 22.320 47.997 1.00 0.00 O ATOM 549 CB GLU A 35 4.672 25.393 48.839 1.00 0.00 C ATOM 550 CG GLU A 35 6.077 25.878 48.495 1.00 0.00 C ATOM 551 CD GLU A 35 6.411 27.133 49.291 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.515 27.987 49.459 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.567 27.260 49.744 1.00 0.00 O ATOM 0 H GLU A 35 2.725 25.798 46.982 1.00 0.00 H new ATOM 0 HA GLU A 35 4.963 23.878 47.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.005 26.249 48.945 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.687 24.879 49.800 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.803 25.096 48.714 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.146 26.087 47.427 1.00 0.00 H new ATOM 560 N HIS A 36 2.305 23.998 49.286 1.00 0.00 N ATOM 561 CA HIS A 36 1.283 23.184 49.934 1.00 0.00 C ATOM 562 C HIS A 36 0.676 23.934 51.112 1.00 0.00 C ATOM 563 O HIS A 36 1.283 24.860 51.651 1.00 0.00 O ATOM 564 CB HIS A 36 1.881 21.862 50.415 1.00 0.00 C ATOM 565 CG HIS A 36 1.434 20.688 49.600 1.00 0.00 C ATOM 566 ND1 HIS A 36 0.116 20.385 49.374 1.00 0.00 N ATOM 567 CD2 HIS A 36 2.131 19.722 48.947 1.00 0.00 C ATOM 568 CE1 HIS A 36 0.001 19.308 48.633 1.00 0.00 C ATOM 569 NE2 HIS A 36 1.218 18.872 48.351 1.00 0.00 N ATOM 0 H HIS A 36 2.333 24.968 49.600 1.00 0.00 H new ATOM 0 HA HIS A 36 0.499 22.974 49.206 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.969 21.928 50.382 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.603 21.701 51.457 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.206 19.634 48.902 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.925 18.856 48.310 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.444 18.050 47.790 1.00 0.00 H new ATOM 577 N GLY A 37 -0.526 23.528 51.510 1.00 0.00 N ATOM 578 CA GLY A 37 -1.219 24.160 52.628 1.00 0.00 C ATOM 579 C GLY A 37 -1.239 25.675 52.467 1.00 0.00 C ATOM 580 O GLY A 37 -0.942 26.412 53.407 1.00 0.00 O ATOM 0 H GLY A 37 -1.041 22.763 51.074 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.240 23.783 52.689 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.726 23.896 53.563 1.00 0.00 H new ATOM 584 N SER A 38 -1.591 26.134 51.271 1.00 0.00 N ATOM 585 CA SER A 38 -1.652 27.563 50.987 1.00 0.00 C ATOM 586 C SER A 38 -2.918 27.894 50.206 1.00 0.00 C ATOM 587 O SER A 38 -3.765 27.030 49.983 1.00 0.00 O ATOM 588 CB SER A 38 -0.421 27.989 50.191 1.00 0.00 C ATOM 589 OG SER A 38 -0.417 29.394 49.996 1.00 0.00 O ATOM 0 H SER A 38 -1.839 25.537 50.482 1.00 0.00 H new ATOM 0 HA SER A 38 -1.672 28.107 51.931 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.483 27.687 50.719 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.411 27.482 49.226 1.00 0.00 H new ATOM 0 HG SER A 38 0.379 29.651 49.486 1.00 0.00 H new ATOM 595 N ASP A 39 -3.042 29.152 49.793 1.00 0.00 N ATOM 596 CA ASP A 39 -4.207 29.600 49.037 1.00 0.00 C ATOM 597 C ASP A 39 -4.216 28.971 47.650 1.00 0.00 C ATOM 598 O ASP A 39 -5.120 28.207 47.310 1.00 0.00 O ATOM 599 CB ASP A 39 -4.197 31.120 48.916 1.00 0.00 C ATOM 600 CG ASP A 39 -5.616 31.667 49.007 1.00 0.00 C ATOM 601 OD1 ASP A 39 -6.135 31.791 50.136 1.00 0.00 O ATOM 602 OD2 ASP A 39 -6.206 31.970 47.949 1.00 0.00 O ATOM 0 H ASP A 39 -2.349 29.880 49.969 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.106 29.288 49.568 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.583 31.551 49.707 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.747 31.413 47.967 1.00 0.00 H new ATOM 607 N GLU A 40 -3.206 29.298 46.851 1.00 0.00 N ATOM 608 CA GLU A 40 -3.097 28.766 45.497 1.00 0.00 C ATOM 609 C GLU A 40 -1.719 29.059 44.923 1.00 0.00 C ATOM 610 O GLU A 40 -0.838 29.566 45.617 1.00 0.00 O ATOM 611 CB GLU A 40 -4.174 29.381 44.608 1.00 0.00 C ATOM 612 CG GLU A 40 -4.071 30.903 44.584 1.00 0.00 C ATOM 613 CD GLU A 40 -4.852 31.466 43.403 1.00 0.00 C ATOM 614 OE1 GLU A 40 -5.122 30.704 42.451 1.00 0.00 O ATOM 615 OE2 GLU A 40 -5.192 32.667 43.432 1.00 0.00 O ATOM 0 H GLU A 40 -2.451 29.929 47.118 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.238 27.686 45.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.078 28.992 43.594 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.159 29.087 44.970 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.459 31.316 45.515 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.025 31.203 44.514 1.00 0.00 H new ATOM 622 N TRP A 41 -1.539 28.735 43.647 1.00 0.00 N ATOM 623 CA TRP A 41 -0.267 28.957 42.961 1.00 0.00 C ATOM 624 C TRP A 41 0.246 30.368 43.226 1.00 0.00 C ATOM 625 O TRP A 41 -0.534 31.278 43.508 1.00 0.00 O ATOM 626 CB TRP A 41 -0.445 28.744 41.460 1.00 0.00 C ATOM 627 CG TRP A 41 -1.100 27.436 41.135 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.442 27.197 41.013 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.440 26.178 40.887 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.628 25.877 40.711 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.435 25.228 40.625 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.893 25.766 40.862 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.134 23.905 40.346 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.202 24.444 40.582 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.198 23.520 40.326 1.00 0.00 C ATOM 0 H TRP A 41 -2.262 28.315 43.062 1.00 0.00 H new ATOM 0 HA TRP A 41 0.464 28.244 43.344 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.044 29.557 41.050 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.529 28.789 40.973 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.225 27.931 41.135 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.538 25.438 40.569 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.682 26.476 41.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.919 23.190 40.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.235 24.129 40.563 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.456 22.494 40.110 1.00 0.00 H new ATOM 646 N VAL A 42 1.561 30.546 43.136 1.00 0.00 N ATOM 647 CA VAL A 42 2.172 31.850 43.367 1.00 0.00 C ATOM 648 C VAL A 42 3.116 32.204 42.226 1.00 0.00 C ATOM 649 O VAL A 42 4.086 32.937 42.415 1.00 0.00 O ATOM 650 CB VAL A 42 2.932 31.843 44.690 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.964 31.696 45.861 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.970 30.725 44.708 1.00 0.00 C ATOM 0 H VAL A 42 2.222 29.805 42.905 1.00 0.00 H new ATOM 0 HA VAL A 42 1.384 32.601 43.413 1.00 0.00 H new ATOM 0 HB VAL A 42 3.454 32.795 44.792 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.523 31.693 46.797 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.262 32.530 45.860 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.414 30.760 45.763 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.501 30.737 45.660 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.472 29.764 44.583 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.680 30.874 43.894 1.00 0.00 H new ATOM 662 N ALA A 43 2.817 31.686 41.039 1.00 0.00 N ATOM 663 CA ALA A 43 3.626 31.947 39.854 1.00 0.00 C ATOM 664 C ALA A 43 5.110 31.762 40.150 1.00 0.00 C ATOM 665 O ALA A 43 5.491 31.350 41.245 1.00 0.00 O ATOM 666 CB ALA A 43 3.359 33.364 39.368 1.00 0.00 C ATOM 0 H ALA A 43 2.015 31.079 40.872 1.00 0.00 H new ATOM 0 HA ALA A 43 3.351 31.234 39.077 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.961 33.564 38.482 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.303 33.471 39.120 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.621 34.073 40.153 1.00 0.00 H new ATOM 672 N MET A 44 5.944 32.069 39.162 1.00 0.00 N ATOM 673 CA MET A 44 7.392 31.939 39.307 1.00 0.00 C ATOM 674 C MET A 44 8.053 33.312 39.279 1.00 0.00 C ATOM 675 O MET A 44 7.386 34.335 39.430 1.00 0.00 O ATOM 676 CB MET A 44 7.950 31.068 38.185 1.00 0.00 C ATOM 677 CG MET A 44 8.555 29.780 38.734 1.00 0.00 C ATOM 678 SD MET A 44 10.329 29.913 39.005 1.00 0.00 S ATOM 679 CE MET A 44 10.787 28.175 39.087 1.00 0.00 C ATOM 0 H MET A 44 5.642 32.411 38.249 1.00 0.00 H new ATOM 0 HA MET A 44 7.608 31.468 40.266 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.155 30.827 37.479 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.709 31.623 37.634 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.065 29.524 39.674 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.357 28.964 38.039 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.855 28.089 39.288 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.227 27.689 39.886 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.556 27.693 38.137 1.00 0.00 H new ATOM 689 N THR A 45 9.369 33.329 39.086 1.00 0.00 N ATOM 690 CA THR A 45 10.120 34.579 39.040 1.00 0.00 C ATOM 691 C THR A 45 11.285 34.465 38.066 1.00 0.00 C ATOM 692 O THR A 45 12.295 33.829 38.365 1.00 0.00 O ATOM 693 CB THR A 45 10.640 34.924 40.432 1.00 0.00 C ATOM 694 OG1 THR A 45 9.578 34.877 41.372 1.00 0.00 O ATOM 695 CG2 THR A 45 11.285 36.307 40.443 1.00 0.00 C ATOM 0 H THR A 45 9.937 32.491 38.959 1.00 0.00 H new ATOM 0 HA THR A 45 9.455 35.372 38.698 1.00 0.00 H new ATOM 0 HB THR A 45 11.397 34.190 40.708 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.920 35.098 42.263 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.648 36.531 41.446 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.120 36.325 39.742 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.548 37.054 40.149 1.00 0.00 H new ATOM 703 N LYS A 46 11.140 35.086 36.900 1.00 0.00 N ATOM 704 CA LYS A 46 12.185 35.056 35.881 1.00 0.00 C ATOM 705 C LYS A 46 13.359 35.930 36.304 1.00 0.00 C ATOM 706 O LYS A 46 13.578 37.004 35.746 1.00 0.00 O ATOM 707 CB LYS A 46 11.630 35.542 34.546 1.00 0.00 C ATOM 708 CG LYS A 46 10.879 36.861 34.706 1.00 0.00 C ATOM 709 CD LYS A 46 11.398 37.916 33.732 1.00 0.00 C ATOM 710 CE LYS A 46 11.246 37.457 32.284 1.00 0.00 C ATOM 711 NZ LYS A 46 10.706 38.548 31.424 1.00 0.00 N ATOM 0 H LYS A 46 10.309 35.616 36.637 1.00 0.00 H new ATOM 0 HA LYS A 46 12.533 34.029 35.768 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.446 35.670 33.835 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.961 34.788 34.131 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.815 36.699 34.537 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.988 37.222 35.729 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.854 38.849 33.879 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.447 38.123 33.942 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.213 37.133 31.900 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.581 36.595 32.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.614 38.206 30.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.773 38.839 31.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.354 39.361 31.447 1.00 0.00 H new ATOM 725 N GLY A 47 14.109 35.462 37.296 1.00 0.00 N ATOM 726 CA GLY A 47 15.262 36.202 37.799 1.00 0.00 C ATOM 727 C GLY A 47 16.555 35.657 37.207 1.00 0.00 C ATOM 728 O GLY A 47 17.498 36.409 36.958 1.00 0.00 O ATOM 0 H GLY A 47 13.940 34.574 37.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.159 37.258 37.549 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.297 36.134 38.886 1.00 0.00 H new ATOM 732 N GLU A 48 16.597 34.347 36.985 1.00 0.00 N ATOM 733 CA GLU A 48 17.780 33.706 36.423 1.00 0.00 C ATOM 734 C GLU A 48 17.812 33.886 34.910 1.00 0.00 C ATOM 735 O GLU A 48 16.826 33.622 34.223 1.00 0.00 O ATOM 736 CB GLU A 48 17.783 32.221 36.767 1.00 0.00 C ATOM 737 CG GLU A 48 19.134 31.588 36.449 1.00 0.00 C ATOM 738 CD GLU A 48 20.088 31.765 37.623 1.00 0.00 C ATOM 739 OE1 GLU A 48 19.950 31.025 38.619 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.972 32.644 37.545 1.00 0.00 O ATOM 0 H GLU A 48 15.826 33.710 37.186 1.00 0.00 H new ATOM 0 HA GLU A 48 18.666 34.174 36.852 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.556 32.089 37.825 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.998 31.713 36.206 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.005 30.527 36.233 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.557 32.046 35.555 1.00 0.00 H new ATOM 747 N GLY A 49 18.952 34.337 34.397 1.00 0.00 N ATOM 748 CA GLY A 49 19.115 34.551 32.963 1.00 0.00 C ATOM 749 C GLY A 49 19.360 33.231 32.245 1.00 0.00 C ATOM 750 O GLY A 49 20.494 32.903 31.897 1.00 0.00 O ATOM 0 H GLY A 49 19.777 34.562 34.953 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.224 35.030 32.558 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.950 35.228 32.784 1.00 0.00 H new ATOM 754 N GLY A 50 18.289 32.475 32.028 1.00 0.00 N ATOM 755 CA GLY A 50 18.384 31.186 31.351 1.00 0.00 C ATOM 756 C GLY A 50 17.290 30.245 31.835 1.00 0.00 C ATOM 757 O GLY A 50 16.800 29.406 31.080 1.00 0.00 O ATOM 0 H GLY A 50 17.344 32.733 32.311 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.299 31.328 30.274 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.362 30.742 31.538 1.00 0.00 H new ATOM 761 N VAL A 51 16.910 30.392 33.099 1.00 0.00 N ATOM 762 CA VAL A 51 15.871 29.555 33.690 1.00 0.00 C ATOM 763 C VAL A 51 15.060 30.352 34.700 1.00 0.00 C ATOM 764 O VAL A 51 15.281 31.549 34.883 1.00 0.00 O ATOM 765 CB VAL A 51 16.501 28.347 34.371 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.106 27.404 33.335 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.559 28.790 35.377 1.00 0.00 C ATOM 0 H VAL A 51 17.306 31.084 33.735 1.00 0.00 H new ATOM 0 HA VAL A 51 15.206 29.213 32.897 1.00 0.00 H new ATOM 0 HB VAL A 51 15.720 27.810 34.910 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.552 26.547 33.840 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.326 27.060 32.656 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.874 27.931 32.768 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.998 27.913 35.853 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.338 29.351 34.862 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.098 29.422 36.136 1.00 0.00 H new ATOM 777 N TRP A 52 14.114 29.685 35.350 1.00 0.00 N ATOM 778 CA TRP A 52 13.264 30.334 36.339 1.00 0.00 C ATOM 779 C TRP A 52 13.711 29.973 37.748 1.00 0.00 C ATOM 780 O TRP A 52 14.088 28.833 38.018 1.00 0.00 O ATOM 781 CB TRP A 52 11.818 29.909 36.130 1.00 0.00 C ATOM 782 CG TRP A 52 11.443 29.854 34.684 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.783 28.842 34.049 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.720 30.852 33.682 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.629 29.175 32.732 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.187 30.389 32.473 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.361 32.093 33.693 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.276 31.119 31.302 1.00 0.00 C ATOM 789 CZ3 TRP A 52 12.456 32.830 32.520 1.00 0.00 C ATOM 790 CH2 TRP A 52 11.915 32.346 31.335 1.00 0.00 C ATOM 0 H TRP A 52 13.917 28.694 35.209 1.00 0.00 H new ATOM 0 HA TRP A 52 13.346 31.414 36.216 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.662 28.929 36.581 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.159 30.606 36.647 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.439 27.928 34.511 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.160 28.593 32.038 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.781 32.478 34.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.856 30.740 30.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.955 33.788 32.529 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.994 32.933 30.432 1.00 0.00 H new ATOM 801 N THR A 53 13.659 30.951 38.644 1.00 0.00 N ATOM 802 CA THR A 53 14.051 30.745 40.033 1.00 0.00 C ATOM 803 C THR A 53 12.907 31.136 40.959 1.00 0.00 C ATOM 804 O THR A 53 12.085 31.987 40.618 1.00 0.00 O ATOM 805 CB THR A 53 15.290 31.576 40.354 1.00 0.00 C ATOM 806 OG1 THR A 53 15.414 32.641 39.425 1.00 0.00 O ATOM 807 CG2 THR A 53 16.548 30.712 40.330 1.00 0.00 C ATOM 0 H THR A 53 13.348 31.899 38.432 1.00 0.00 H new ATOM 0 HA THR A 53 14.284 29.691 40.183 1.00 0.00 H new ATOM 0 HB THR A 53 15.176 31.986 41.358 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.210 33.171 39.639 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.417 31.328 40.562 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.458 29.918 41.071 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.669 30.272 39.340 1.00 0.00 H new ATOM 815 N PHE A 54 12.856 30.513 42.131 1.00 0.00 N ATOM 816 CA PHE A 54 11.806 30.801 43.102 1.00 0.00 C ATOM 817 C PHE A 54 12.406 31.371 44.380 1.00 0.00 C ATOM 818 O PHE A 54 13.602 31.228 44.633 1.00 0.00 O ATOM 819 CB PHE A 54 11.023 29.529 43.417 1.00 0.00 C ATOM 820 CG PHE A 54 9.918 29.753 44.419 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.789 30.471 44.057 1.00 0.00 C ATOM 822 CD2 PHE A 54 10.028 29.239 45.701 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.774 30.676 44.977 1.00 0.00 C ATOM 824 CE2 PHE A 54 9.012 29.444 46.620 1.00 0.00 C ATOM 825 CZ PHE A 54 7.885 30.162 46.258 1.00 0.00 C ATOM 0 H PHE A 54 13.528 29.807 42.432 1.00 0.00 H new ATOM 0 HA PHE A 54 11.129 31.540 42.674 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.596 29.134 42.495 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.707 28.773 43.801 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.701 30.871 43.058 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.906 28.678 45.984 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.895 31.237 44.695 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.099 29.044 47.619 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.093 30.321 46.974 1.00 0.00 H new ATOM 835 N ASP A 55 11.569 32.018 45.183 1.00 0.00 N ATOM 836 CA ASP A 55 12.015 32.612 46.438 1.00 0.00 C ATOM 837 C ASP A 55 11.294 31.967 47.614 1.00 0.00 C ATOM 838 O ASP A 55 10.069 32.038 47.716 1.00 0.00 O ATOM 839 CB ASP A 55 11.750 34.115 46.428 1.00 0.00 C ATOM 840 CG ASP A 55 12.423 34.777 47.622 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.138 34.369 48.768 1.00 0.00 O ATOM 842 OD2 ASP A 55 13.235 35.702 47.411 1.00 0.00 O ATOM 0 H ASP A 55 10.576 32.145 44.987 1.00 0.00 H new ATOM 0 HA ASP A 55 13.086 32.439 46.545 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.125 34.551 45.502 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.677 34.302 46.457 1.00 0.00 H new ATOM 847 N SER A 56 12.058 31.337 48.499 1.00 0.00 N ATOM 848 CA SER A 56 11.490 30.677 49.669 1.00 0.00 C ATOM 849 C SER A 56 11.885 31.416 50.941 1.00 0.00 C ATOM 850 O SER A 56 12.805 32.234 50.937 1.00 0.00 O ATOM 851 CB SER A 56 11.974 29.232 49.738 1.00 0.00 C ATOM 852 OG SER A 56 11.365 28.453 48.720 1.00 0.00 O ATOM 0 H SER A 56 13.073 31.269 48.429 1.00 0.00 H new ATOM 0 HA SER A 56 10.404 30.688 49.581 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.058 29.200 49.629 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.740 28.810 50.715 1.00 0.00 H new ATOM 0 HG SER A 56 10.967 29.046 48.048 1.00 0.00 H new ATOM 858 N GLU A 57 11.183 31.122 52.031 1.00 0.00 N ATOM 859 CA GLU A 57 11.458 31.756 53.316 1.00 0.00 C ATOM 860 C GLU A 57 10.847 30.940 54.448 1.00 0.00 C ATOM 861 O GLU A 57 10.302 31.493 55.403 1.00 0.00 O ATOM 862 CB GLU A 57 10.897 33.176 53.332 1.00 0.00 C ATOM 863 CG GLU A 57 9.395 33.182 53.064 1.00 0.00 C ATOM 864 CD GLU A 57 8.852 34.603 53.147 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.130 35.289 54.153 1.00 0.00 O ATOM 866 OE2 GLU A 57 8.150 35.028 52.205 1.00 0.00 O ATOM 0 H GLU A 57 10.418 30.447 52.050 1.00 0.00 H new ATOM 0 HA GLU A 57 12.538 31.801 53.459 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.098 33.638 54.299 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.405 33.779 52.579 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.192 32.764 52.078 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.886 32.547 53.790 1.00 0.00 H new ATOM 873 N GLU A 58 10.942 29.619 54.333 1.00 0.00 N ATOM 874 CA GLU A 58 10.399 28.718 55.344 1.00 0.00 C ATOM 875 C GLU A 58 11.432 27.661 55.722 1.00 0.00 C ATOM 876 O GLU A 58 12.350 27.378 54.953 1.00 0.00 O ATOM 877 CB GLU A 58 9.136 28.045 54.814 1.00 0.00 C ATOM 878 CG GLU A 58 9.443 27.165 53.606 1.00 0.00 C ATOM 879 CD GLU A 58 8.730 27.699 52.371 1.00 0.00 C ATOM 880 OE1 GLU A 58 7.539 27.375 52.185 1.00 0.00 O ATOM 881 OE2 GLU A 58 9.365 28.440 51.591 1.00 0.00 O ATOM 0 H GLU A 58 11.391 29.148 53.548 1.00 0.00 H new ATOM 0 HA GLU A 58 10.150 29.297 56.233 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.685 27.441 55.602 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.405 28.805 54.537 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.518 27.138 53.431 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.126 26.141 53.803 1.00 0.00 H new ATOM 888 N PRO A 59 11.295 27.063 56.918 1.00 0.00 N ATOM 889 CA PRO A 59 12.225 26.030 57.399 1.00 0.00 C ATOM 890 C PRO A 59 12.061 24.713 56.649 1.00 0.00 C ATOM 891 O PRO A 59 13.029 23.983 56.436 1.00 0.00 O ATOM 892 CB PRO A 59 11.860 25.866 58.868 1.00 0.00 C ATOM 893 CG PRO A 59 10.439 26.304 58.972 1.00 0.00 C ATOM 894 CD PRO A 59 10.231 27.341 57.899 1.00 0.00 C ATOM 0 HA PRO A 59 13.265 26.316 57.244 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.977 24.831 59.189 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.506 26.472 59.504 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.762 25.461 58.833 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.232 26.720 59.958 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.242 27.256 57.449 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.313 28.351 58.300 1.00 0.00 H new ATOM 902 N LEU A 60 10.829 24.414 56.248 1.00 0.00 N ATOM 903 CA LEU A 60 10.537 23.185 55.519 1.00 0.00 C ATOM 904 C LEU A 60 10.843 23.364 54.038 1.00 0.00 C ATOM 905 O LEU A 60 11.181 24.461 53.594 1.00 0.00 O ATOM 906 CB LEU A 60 9.071 22.806 55.702 1.00 0.00 C ATOM 907 CG LEU A 60 8.692 22.761 57.179 1.00 0.00 C ATOM 908 CD1 LEU A 60 7.451 23.611 57.439 1.00 0.00 C ATOM 909 CD2 LEU A 60 8.459 21.321 57.628 1.00 0.00 C ATOM 0 H LEU A 60 10.016 25.007 56.416 1.00 0.00 H new ATOM 0 HA LEU A 60 11.165 22.387 55.915 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.439 23.527 55.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.885 21.833 55.246 1.00 0.00 H new ATOM 0 HG LEU A 60 9.518 23.172 57.759 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.195 23.567 58.498 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.652 24.644 57.157 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.618 23.229 56.848 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.190 21.308 58.684 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.651 20.883 57.042 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.370 20.741 57.479 1.00 0.00 H new ATOM 921 N GLN A 61 10.723 22.281 53.276 1.00 0.00 N ATOM 922 CA GLN A 61 10.987 22.323 51.841 1.00 0.00 C ATOM 923 C GLN A 61 10.779 20.949 51.217 1.00 0.00 C ATOM 924 O GLN A 61 11.700 20.379 50.631 1.00 0.00 O ATOM 925 CB GLN A 61 12.415 22.797 51.587 1.00 0.00 C ATOM 926 CG GLN A 61 13.415 22.031 52.448 1.00 0.00 C ATOM 927 CD GLN A 61 14.804 22.095 51.827 1.00 0.00 C ATOM 928 OE1 GLN A 61 15.664 22.850 52.282 1.00 0.00 O ATOM 929 NE2 GLN A 61 15.025 21.303 50.785 1.00 0.00 N ATOM 0 H GLN A 61 10.445 21.365 53.627 1.00 0.00 H new ATOM 0 HA GLN A 61 10.289 23.023 51.382 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.662 22.665 50.534 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.490 23.863 51.800 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.439 22.453 53.453 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.100 20.992 52.546 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.283 20.693 50.441 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.937 21.304 50.328 1.00 0.00 H new ATOM 938 N GLY A 62 9.565 20.423 51.341 1.00 0.00 N ATOM 939 CA GLY A 62 9.236 19.115 50.784 1.00 0.00 C ATOM 940 C GLY A 62 9.132 19.193 49.265 1.00 0.00 C ATOM 941 O GLY A 62 9.925 19.876 48.616 1.00 0.00 O ATOM 0 H GLY A 62 8.792 20.882 51.822 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.000 18.391 51.065 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.293 18.762 51.201 1.00 0.00 H new ATOM 945 N PRO A 63 8.145 18.496 48.673 1.00 0.00 N ATOM 946 CA PRO A 63 7.940 18.498 47.218 1.00 0.00 C ATOM 947 C PRO A 63 7.341 19.814 46.735 1.00 0.00 C ATOM 948 O PRO A 63 6.990 20.676 47.540 1.00 0.00 O ATOM 949 CB PRO A 63 6.977 17.343 46.979 1.00 0.00 C ATOM 950 CG PRO A 63 6.240 17.168 48.266 1.00 0.00 C ATOM 951 CD PRO A 63 7.149 17.661 49.368 1.00 0.00 C ATOM 0 HA PRO A 63 8.877 18.389 46.672 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.292 17.566 46.161 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.514 16.434 46.707 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.307 17.731 48.255 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.979 16.121 48.421 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.597 18.236 50.111 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.622 16.832 49.894 1.00 0.00 H new ATOM 959 N PHE A 64 7.228 19.966 45.420 1.00 0.00 N ATOM 960 CA PHE A 64 6.671 21.183 44.842 1.00 0.00 C ATOM 961 C PHE A 64 5.689 20.845 43.729 1.00 0.00 C ATOM 962 O PHE A 64 5.497 19.679 43.387 1.00 0.00 O ATOM 963 CB PHE A 64 7.792 22.061 44.293 1.00 0.00 C ATOM 964 CG PHE A 64 8.768 22.503 45.354 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.442 23.545 46.206 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.993 21.867 45.477 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.339 23.951 47.179 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.890 22.274 46.451 1.00 0.00 C ATOM 969 CZ PHE A 64 10.563 23.316 47.302 1.00 0.00 C ATOM 0 H PHE A 64 7.514 19.265 44.737 1.00 0.00 H new ATOM 0 HA PHE A 64 6.140 21.725 45.624 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.329 21.513 43.519 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.357 22.941 43.818 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.487 24.041 46.111 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.248 21.054 44.814 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.084 24.764 47.843 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.845 21.778 46.547 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.262 23.633 48.061 1.00 0.00 H new ATOM 979 N ASN A 65 5.072 21.877 43.168 1.00 0.00 N ATOM 980 CA ASN A 65 4.107 21.705 42.089 1.00 0.00 C ATOM 981 C ASN A 65 4.229 22.854 41.098 1.00 0.00 C ATOM 982 O ASN A 65 4.259 24.020 41.489 1.00 0.00 O ATOM 983 CB ASN A 65 2.692 21.653 42.658 1.00 0.00 C ATOM 984 CG ASN A 65 2.645 20.746 43.882 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.283 19.574 43.784 1.00 0.00 O ATOM 986 ND2 ASN A 65 3.011 21.290 45.037 1.00 0.00 N ATOM 0 H ASN A 65 5.224 22.847 43.444 1.00 0.00 H new ATOM 0 HA ASN A 65 4.314 20.768 41.573 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.365 22.657 42.929 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.001 21.286 41.899 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.999 20.731 45.890 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.304 22.266 45.071 1.00 0.00 H new ATOM 993 N PHE A 66 4.305 22.521 39.814 1.00 0.00 N ATOM 994 CA PHE A 66 4.431 23.534 38.771 1.00 0.00 C ATOM 995 C PHE A 66 3.215 23.524 37.855 1.00 0.00 C ATOM 996 O PHE A 66 2.376 22.625 37.923 1.00 0.00 O ATOM 997 CB PHE A 66 5.698 23.286 37.959 1.00 0.00 C ATOM 998 CG PHE A 66 6.916 23.942 38.560 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.544 23.366 39.652 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.407 25.121 38.023 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.662 23.968 40.206 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.525 25.723 38.577 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.153 25.146 39.669 1.00 0.00 C ATOM 0 H PHE A 66 4.282 21.561 39.471 1.00 0.00 H new ATOM 0 HA PHE A 66 4.493 24.513 39.247 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.870 22.212 37.882 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.553 23.659 36.945 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.162 22.447 40.072 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.918 25.571 37.172 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.151 23.518 41.057 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.907 26.642 38.158 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.025 25.615 40.101 1.00 0.00 H new ATOM 1013 N ARG A 67 3.127 24.536 36.996 1.00 0.00 N ATOM 1014 CA ARG A 67 2.018 24.661 36.058 1.00 0.00 C ATOM 1015 C ARG A 67 2.281 25.803 35.089 1.00 0.00 C ATOM 1016 O ARG A 67 1.771 26.910 35.264 1.00 0.00 O ATOM 1017 CB ARG A 67 0.720 24.914 36.817 1.00 0.00 C ATOM 1018 CG ARG A 67 -0.103 23.637 36.938 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.262 23.632 35.946 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.367 24.438 36.455 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.631 24.161 36.152 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -4.101 24.438 34.943 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.425 23.606 37.057 1.00 0.00 N ATOM 0 H ARG A 67 3.816 25.285 36.931 1.00 0.00 H new ATOM 0 HA ARG A 67 1.926 23.732 35.495 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.946 25.300 37.811 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.137 25.678 36.303 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.535 22.772 36.760 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.489 23.545 37.953 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.929 24.024 34.985 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.598 22.609 35.774 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.164 25.235 37.059 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.492 24.864 34.244 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.071 24.225 34.712 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.066 23.391 37.987 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.395 23.394 36.823 1.00 0.00 H new ATOM 1037 N PHE A 68 3.086 25.533 34.068 1.00 0.00 N ATOM 1038 CA PHE A 68 3.422 26.549 33.075 1.00 0.00 C ATOM 1039 C PHE A 68 2.323 26.678 32.037 1.00 0.00 C ATOM 1040 O PHE A 68 1.434 25.833 31.942 1.00 0.00 O ATOM 1041 CB PHE A 68 4.744 26.219 32.383 1.00 0.00 C ATOM 1042 CG PHE A 68 4.906 24.752 32.068 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.977 24.108 31.268 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.984 24.048 32.581 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.126 22.761 30.981 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.132 22.702 32.294 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.203 22.058 31.494 1.00 0.00 C ATOM 0 H PHE A 68 3.517 24.623 33.905 1.00 0.00 H new ATOM 0 HA PHE A 68 3.525 27.499 33.600 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.814 26.791 31.458 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.569 26.540 33.020 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.137 24.656 30.868 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.709 24.550 33.205 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.402 22.259 30.357 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.972 22.154 32.694 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.318 21.008 31.270 1.00 0.00 H new ATOM 1057 N LEU A 69 2.403 27.746 31.255 1.00 0.00 N ATOM 1058 CA LEU A 69 1.427 28.011 30.204 1.00 0.00 C ATOM 1059 C LEU A 69 2.143 28.147 28.869 1.00 0.00 C ATOM 1060 O LEU A 69 2.300 29.252 28.351 1.00 0.00 O ATOM 1061 CB LEU A 69 0.648 29.294 30.506 1.00 0.00 C ATOM 1062 CG LEU A 69 0.387 29.464 32.002 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.245 30.823 32.284 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.507 28.343 32.521 1.00 0.00 C ATOM 0 H LEU A 69 3.139 28.448 31.329 1.00 0.00 H new ATOM 0 HA LEU A 69 0.723 27.180 30.159 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.206 30.153 30.135 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.302 29.276 29.972 1.00 0.00 H new ATOM 0 HG LEU A 69 1.342 29.413 32.524 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.424 30.926 33.354 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.428 31.613 31.951 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.191 30.902 31.749 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.682 28.481 33.588 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.460 28.363 31.992 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.020 27.382 32.355 1.00 0.00 H new ATOM 1076 N THR A 70 2.588 27.012 28.325 1.00 0.00 N ATOM 1077 CA THR A 70 3.311 26.974 27.048 1.00 0.00 C ATOM 1078 C THR A 70 2.762 27.998 26.058 1.00 0.00 C ATOM 1079 O THR A 70 1.550 28.175 25.938 1.00 0.00 O ATOM 1080 CB THR A 70 3.222 25.575 26.446 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.888 25.098 26.525 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.164 24.616 27.166 1.00 0.00 C ATOM 0 H THR A 70 2.459 26.096 28.754 1.00 0.00 H new ATOM 0 HA THR A 70 4.353 27.226 27.246 1.00 0.00 H new ATOM 0 HB THR A 70 3.522 25.630 25.399 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.267 25.827 26.317 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.084 23.624 26.720 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.189 24.974 27.073 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.893 24.563 28.220 1.00 0.00 H new ATOM 1090 N GLU A 71 3.669 28.673 25.359 1.00 0.00 N ATOM 1091 CA GLU A 71 3.293 29.690 24.382 1.00 0.00 C ATOM 1092 C GLU A 71 2.215 29.165 23.441 1.00 0.00 C ATOM 1093 O GLU A 71 1.222 29.844 23.181 1.00 0.00 O ATOM 1094 CB GLU A 71 4.521 30.119 23.584 1.00 0.00 C ATOM 1095 CG GLU A 71 5.610 30.671 24.501 1.00 0.00 C ATOM 1096 CD GLU A 71 5.468 32.182 24.633 1.00 0.00 C ATOM 1097 OE1 GLU A 71 4.323 32.678 24.596 1.00 0.00 O ATOM 1098 OE2 GLU A 71 6.503 32.867 24.772 1.00 0.00 O ATOM 0 H GLU A 71 4.675 28.533 25.452 1.00 0.00 H new ATOM 0 HA GLU A 71 2.891 30.551 24.916 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.910 29.268 23.024 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.237 30.878 22.854 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.540 30.204 25.484 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.593 30.424 24.100 1.00 0.00 H new ATOM 1105 N LYS A 72 2.413 27.953 22.934 1.00 0.00 N ATOM 1106 CA LYS A 72 1.450 27.341 22.023 1.00 0.00 C ATOM 1107 C LYS A 72 1.322 25.851 22.307 1.00 0.00 C ATOM 1108 O LYS A 72 1.332 25.031 21.389 1.00 0.00 O ATOM 1109 CB LYS A 72 1.875 27.566 20.572 1.00 0.00 C ATOM 1110 CG LYS A 72 3.385 27.422 20.398 1.00 0.00 C ATOM 1111 CD LYS A 72 3.872 26.069 20.907 1.00 0.00 C ATOM 1112 CE LYS A 72 5.352 25.861 20.598 1.00 0.00 C ATOM 1113 NZ LYS A 72 5.618 24.477 20.114 1.00 0.00 N ATOM 0 H LYS A 72 3.229 27.376 23.137 1.00 0.00 H new ATOM 0 HA LYS A 72 0.479 27.810 22.181 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.364 26.850 19.928 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.565 28.561 20.252 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.645 27.532 19.345 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.894 28.221 20.937 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.710 26.003 21.983 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.287 25.273 20.447 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.672 26.580 19.843 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.943 26.055 21.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.633 24.369 19.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.335 23.793 20.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.073 24.302 19.246 1.00 0.00 H new ATOM 1127 N GLY A 73 1.201 25.504 23.585 1.00 0.00 N ATOM 1128 CA GLY A 73 1.071 24.108 23.990 1.00 0.00 C ATOM 1129 C GLY A 73 -0.229 23.883 24.753 1.00 0.00 C ATOM 1130 O GLY A 73 -1.316 23.935 24.178 1.00 0.00 O ATOM 0 H GLY A 73 1.190 26.170 24.358 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.097 23.466 23.110 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.918 23.826 24.615 1.00 0.00 H new ATOM 1134 N MET A 74 -0.107 23.629 26.052 1.00 0.00 N ATOM 1135 CA MET A 74 -1.270 23.392 26.902 1.00 0.00 C ATOM 1136 C MET A 74 -0.853 23.333 28.367 1.00 0.00 C ATOM 1137 O MET A 74 0.282 22.980 28.686 1.00 0.00 O ATOM 1138 CB MET A 74 -1.949 22.085 26.501 1.00 0.00 C ATOM 1139 CG MET A 74 -0.957 20.925 26.488 1.00 0.00 C ATOM 1140 SD MET A 74 -1.747 19.350 26.117 1.00 0.00 S ATOM 1141 CE MET A 74 -0.610 18.675 24.896 1.00 0.00 C ATOM 0 H MET A 74 0.787 23.582 26.540 1.00 0.00 H new ATOM 0 HA MET A 74 -1.973 24.215 26.772 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.759 21.866 27.196 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.397 22.194 25.513 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.181 21.122 25.748 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.464 20.861 27.458 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.965 17.698 24.569 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.555 19.347 24.039 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.380 18.571 25.339 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.779 23.682 29.255 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.510 23.671 30.689 1.00 0.00 C ATOM 1153 C LYS A 75 -1.532 22.245 31.224 1.00 0.00 C ATOM 1154 O LYS A 75 -2.233 21.383 30.693 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.553 24.511 31.420 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.100 25.961 31.551 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.346 26.736 30.259 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.586 27.619 30.373 1.00 0.00 C ATOM 1159 NZ LYS A 75 -4.800 26.913 29.873 1.00 0.00 N ATOM 0 H LYS A 75 -2.723 23.976 29.006 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.520 24.095 30.860 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.499 24.470 30.881 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.732 24.092 32.410 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.635 26.439 32.372 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.039 25.992 31.800 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.477 27.353 30.031 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.468 26.038 29.431 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.734 27.910 31.413 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.436 28.536 29.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.627 27.538 29.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.666 26.658 28.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.955 26.050 30.433 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.761 22.001 32.279 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.693 20.676 32.888 1.00 0.00 C ATOM 1175 C ASN A 76 -0.249 20.778 34.342 1.00 0.00 C ATOM 1176 O ASN A 76 0.674 21.525 34.668 1.00 0.00 O ATOM 1177 CB ASN A 76 0.277 19.794 32.108 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.397 19.246 30.857 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -1.477 18.659 30.928 1.00 0.00 O ATOM 1180 ND2 ASN A 76 0.240 19.438 29.708 1.00 0.00 N ATOM 0 H ASN A 76 -0.174 22.703 32.730 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.687 20.229 32.859 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.160 20.369 31.831 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.617 18.971 32.737 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.164 19.093 28.837 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.133 19.930 29.696 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.910 20.021 35.213 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.583 20.024 36.635 1.00 0.00 C ATOM 1189 C VAL A 77 0.481 18.977 36.936 1.00 0.00 C ATOM 1190 O VAL A 77 0.449 17.870 36.399 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.840 19.754 37.460 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.504 19.649 38.947 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.867 20.854 37.227 1.00 0.00 C ATOM 0 H VAL A 77 -1.676 19.397 34.959 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.189 21.004 36.903 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.262 18.802 37.139 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.415 19.457 39.513 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.800 18.832 39.104 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.057 20.584 39.286 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.759 20.651 37.820 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.445 21.814 37.523 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.133 20.885 36.171 1.00 0.00 H new ATOM 1203 N PHE A 78 1.429 19.343 37.790 1.00 0.00 N ATOM 1204 CA PHE A 78 2.514 18.452 38.161 1.00 0.00 C ATOM 1205 C PHE A 78 2.614 18.323 39.676 1.00 0.00 C ATOM 1206 O PHE A 78 2.552 19.317 40.399 1.00 0.00 O ATOM 1207 CB PHE A 78 3.815 19.000 37.599 1.00 0.00 C ATOM 1208 CG PHE A 78 3.712 19.359 36.139 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.730 18.362 35.177 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.595 20.685 35.757 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.632 18.691 33.836 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.496 21.015 34.416 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.515 20.018 33.455 1.00 0.00 C ATOM 0 H PHE A 78 1.465 20.258 38.240 1.00 0.00 H new ATOM 0 HA PHE A 78 2.319 17.461 37.750 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.108 19.883 38.166 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.604 18.260 37.732 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.821 17.327 35.474 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.581 21.463 36.506 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.647 17.913 33.087 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.404 22.049 34.120 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.439 20.275 32.409 1.00 0.00 H new ATOM 1223 N ASP A 79 2.772 17.091 40.150 1.00 0.00 N ATOM 1224 CA ASP A 79 2.885 16.825 41.580 1.00 0.00 C ATOM 1225 C ASP A 79 4.178 16.072 41.877 1.00 0.00 C ATOM 1226 O ASP A 79 4.677 15.324 41.037 1.00 0.00 O ATOM 1227 CB ASP A 79 1.684 16.011 42.053 1.00 0.00 C ATOM 1228 CG ASP A 79 1.687 14.631 41.406 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.339 13.718 41.954 1.00 0.00 O ATOM 1230 OD2 ASP A 79 1.037 14.466 40.352 1.00 0.00 O ATOM 0 H ASP A 79 2.825 16.259 39.563 1.00 0.00 H new ATOM 0 HA ASP A 79 2.904 17.775 42.115 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.710 15.911 43.138 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.761 16.534 41.803 1.00 0.00 H new ATOM 1235 N ASP A 80 4.717 16.275 43.075 1.00 0.00 N ATOM 1236 CA ASP A 80 5.954 15.615 43.479 1.00 0.00 C ATOM 1237 C ASP A 80 7.055 15.883 42.461 1.00 0.00 C ATOM 1238 O ASP A 80 7.942 15.054 42.257 1.00 0.00 O ATOM 1239 CB ASP A 80 5.723 14.112 43.612 1.00 0.00 C ATOM 1240 CG ASP A 80 6.333 13.598 44.909 1.00 0.00 C ATOM 1241 OD1 ASP A 80 7.484 13.975 45.215 1.00 0.00 O ATOM 1242 OD2 ASP A 80 5.659 12.821 45.617 1.00 0.00 O ATOM 0 H ASP A 80 4.317 16.891 43.783 1.00 0.00 H new ATOM 0 HA ASP A 80 6.265 16.016 44.444 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.654 13.898 43.595 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.166 13.592 42.762 1.00 0.00 H new ATOM 1247 N VAL A 81 6.989 17.047 41.821 1.00 0.00 N ATOM 1248 CA VAL A 81 7.979 17.430 40.819 1.00 0.00 C ATOM 1249 C VAL A 81 9.389 17.325 41.394 1.00 0.00 C ATOM 1250 O VAL A 81 10.358 17.153 40.654 1.00 0.00 O ATOM 1251 CB VAL A 81 7.693 18.855 40.333 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.838 19.393 39.472 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.386 18.889 39.546 1.00 0.00 C ATOM 0 H VAL A 81 6.259 17.742 41.979 1.00 0.00 H new ATOM 0 HA VAL A 81 7.912 16.749 39.970 1.00 0.00 H new ATOM 0 HB VAL A 81 7.603 19.496 41.210 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.602 20.405 39.144 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.758 19.406 40.057 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.971 18.751 38.601 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.193 19.906 39.206 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.463 18.226 38.684 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.567 18.559 40.186 1.00 0.00 H new ATOM 1263 N VAL A 82 9.502 17.428 42.714 1.00 0.00 N ATOM 1264 CA VAL A 82 10.798 17.341 43.377 1.00 0.00 C ATOM 1265 C VAL A 82 10.716 16.424 44.595 1.00 0.00 C ATOM 1266 O VAL A 82 9.804 16.550 45.413 1.00 0.00 O ATOM 1267 CB VAL A 82 11.262 18.730 43.807 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.631 18.650 44.483 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.310 19.674 42.610 1.00 0.00 C ATOM 0 H VAL A 82 8.713 17.572 43.345 1.00 0.00 H new ATOM 0 HA VAL A 82 11.518 16.925 42.672 1.00 0.00 H new ATOM 0 HB VAL A 82 10.545 19.126 44.526 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.947 19.649 44.783 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.565 18.010 45.363 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.358 18.234 43.785 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.643 20.659 42.937 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.005 19.284 41.867 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.316 19.754 42.170 1.00 0.00 H new ATOM 1279 N PRO A 83 11.673 15.489 44.735 1.00 0.00 N ATOM 1280 CA PRO A 83 11.705 14.550 45.870 1.00 0.00 C ATOM 1281 C PRO A 83 12.085 15.243 47.174 1.00 0.00 C ATOM 1282 O PRO A 83 12.184 16.468 47.230 1.00 0.00 O ATOM 1283 CB PRO A 83 12.776 13.540 45.479 1.00 0.00 C ATOM 1284 CG PRO A 83 13.668 14.271 44.532 1.00 0.00 C ATOM 1285 CD PRO A 83 12.800 15.268 43.811 1.00 0.00 C ATOM 0 HA PRO A 83 10.729 14.100 46.050 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.328 13.192 46.352 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.336 12.661 45.008 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.474 14.774 45.067 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.134 13.582 43.828 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.338 16.194 43.609 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.460 14.881 42.851 1.00 0.00 H new ATOM 1293 N GLU A 84 12.311 14.450 48.217 1.00 0.00 N ATOM 1294 CA GLU A 84 12.697 14.989 49.517 1.00 0.00 C ATOM 1295 C GLU A 84 14.204 15.195 49.560 1.00 0.00 C ATOM 1296 O GLU A 84 14.971 14.296 49.213 1.00 0.00 O ATOM 1297 CB GLU A 84 12.265 14.041 50.631 1.00 0.00 C ATOM 1298 CG GLU A 84 12.951 12.684 50.502 1.00 0.00 C ATOM 1299 CD GLU A 84 12.543 11.775 51.654 1.00 0.00 C ATOM 1300 OE1 GLU A 84 11.890 12.267 52.598 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.878 10.573 51.612 1.00 0.00 O ATOM 0 H GLU A 84 12.234 13.433 48.188 1.00 0.00 H new ATOM 0 HA GLU A 84 12.201 15.948 49.665 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.504 14.481 51.599 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.184 13.909 50.600 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.682 12.222 49.552 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.033 12.815 50.498 1.00 0.00 H new ATOM 1308 N LYS A 85 14.627 16.384 49.971 1.00 0.00 N ATOM 1309 CA LYS A 85 16.048 16.703 50.039 1.00 0.00 C ATOM 1310 C LYS A 85 16.669 16.559 48.657 1.00 0.00 C ATOM 1311 O LYS A 85 17.684 15.885 48.485 1.00 0.00 O ATOM 1312 CB LYS A 85 16.748 15.772 51.026 1.00 0.00 C ATOM 1313 CG LYS A 85 18.037 16.396 51.553 1.00 0.00 C ATOM 1314 CD LYS A 85 18.222 16.112 53.041 1.00 0.00 C ATOM 1315 CE LYS A 85 19.363 15.127 53.279 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.926 13.721 53.048 1.00 0.00 N ATOM 0 H LYS A 85 14.009 17.141 50.262 1.00 0.00 H new ATOM 0 HA LYS A 85 16.168 17.731 50.382 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.080 15.552 51.859 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.973 14.823 50.539 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.888 16.003 50.997 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.017 17.473 51.386 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.427 17.044 53.569 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.298 15.708 53.454 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.195 15.365 52.616 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.729 15.232 54.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.725 13.077 53.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.149 13.488 53.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.600 13.616 52.066 1.00 0.00 H new ATOM 1330 N TYR A 86 16.038 17.192 47.669 1.00 0.00 N ATOM 1331 CA TYR A 86 16.504 17.139 46.284 1.00 0.00 C ATOM 1332 C TYR A 86 18.016 17.307 46.199 1.00 0.00 C ATOM 1333 O TYR A 86 18.651 17.814 47.124 1.00 0.00 O ATOM 1334 CB TYR A 86 15.821 18.230 45.466 1.00 0.00 C ATOM 1335 CG TYR A 86 16.241 19.619 45.877 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.412 20.168 45.380 1.00 0.00 C ATOM 1337 CD2 TYR A 86 15.455 20.349 46.752 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.794 21.444 45.759 1.00 0.00 C ATOM 1339 CE2 TYR A 86 15.839 21.625 47.129 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.006 22.166 46.631 1.00 0.00 C ATOM 1341 OH TYR A 86 17.386 23.434 47.007 1.00 0.00 O ATOM 0 H TYR A 86 15.196 17.752 47.804 1.00 0.00 H new ATOM 0 HA TYR A 86 16.247 16.159 45.881 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.050 18.084 44.411 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.740 18.135 45.573 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.027 19.601 44.697 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.542 19.923 47.141 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.707 21.873 45.373 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.226 22.195 47.811 1.00 0.00 H new ATOM 0 HH TYR A 86 16.721 23.805 47.624 1.00 0.00 H new ATOM 1351 N THR A 87 18.581 16.881 45.075 1.00 0.00 N ATOM 1352 CA THR A 87 20.016 16.980 44.846 1.00 0.00 C ATOM 1353 C THR A 87 20.282 17.599 43.481 1.00 0.00 C ATOM 1354 O THR A 87 20.129 16.941 42.451 1.00 0.00 O ATOM 1355 CB THR A 87 20.652 15.594 44.920 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.931 14.778 45.829 1.00 0.00 O ATOM 1357 CG2 THR A 87 22.113 15.690 45.349 1.00 0.00 C ATOM 0 H THR A 87 18.062 16.461 44.304 1.00 0.00 H new ATOM 0 HA THR A 87 20.455 17.614 45.616 1.00 0.00 H new ATOM 0 HB THR A 87 20.615 15.145 43.928 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.344 13.890 45.870 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.545 14.690 45.395 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.665 16.292 44.627 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.174 16.157 46.332 1.00 0.00 H new ATOM 1365 N ILE A 88 20.678 18.869 43.477 1.00 0.00 N ATOM 1366 CA ILE A 88 20.964 19.588 42.235 1.00 0.00 C ATOM 1367 C ILE A 88 21.808 18.727 41.297 1.00 0.00 C ATOM 1368 O ILE A 88 22.929 18.341 41.630 1.00 0.00 O ATOM 1369 CB ILE A 88 21.689 20.895 42.552 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.794 21.805 43.391 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.119 21.611 41.274 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.296 21.903 44.828 1.00 0.00 C ATOM 0 H ILE A 88 20.809 19.425 44.322 1.00 0.00 H new ATOM 0 HA ILE A 88 20.022 19.814 41.734 1.00 0.00 H new ATOM 0 HB ILE A 88 22.586 20.654 43.122 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.763 22.799 42.946 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.774 21.421 43.385 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.632 22.538 41.531 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.792 20.969 40.706 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.240 21.838 40.671 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.638 22.558 45.399 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.302 20.911 45.280 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.307 22.311 44.833 1.00 0.00 H new ATOM 1384 N GLY A 89 21.257 18.430 40.125 1.00 0.00 N ATOM 1385 CA GLY A 89 21.948 17.613 39.134 1.00 0.00 C ATOM 1386 C GLY A 89 21.165 16.337 38.851 1.00 0.00 C ATOM 1387 O GLY A 89 21.748 15.273 38.640 1.00 0.00 O ATOM 0 H GLY A 89 20.330 18.744 39.837 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.075 18.180 38.212 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.946 17.362 39.494 1.00 0.00 H new ATOM 1391 N ALA A 90 19.841 16.450 38.848 1.00 0.00 N ATOM 1392 CA ALA A 90 18.972 15.307 38.592 1.00 0.00 C ATOM 1393 C ALA A 90 17.687 15.766 37.917 1.00 0.00 C ATOM 1394 O ALA A 90 17.262 16.910 38.083 1.00 0.00 O ATOM 1395 CB ALA A 90 18.647 14.595 39.902 1.00 0.00 C ATOM 0 H ALA A 90 19.345 17.324 39.021 1.00 0.00 H new ATOM 0 HA ALA A 90 19.489 14.613 37.930 1.00 0.00 H new ATOM 0 HB1 ALA A 90 17.998 13.743 39.702 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.570 14.247 40.366 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.141 15.286 40.576 1.00 0.00 H new ATOM 1401 N THR A 91 17.071 14.872 37.151 1.00 0.00 N ATOM 1402 CA THR A 91 15.834 15.193 36.448 1.00 0.00 C ATOM 1403 C THR A 91 14.636 14.570 37.153 1.00 0.00 C ATOM 1404 O THR A 91 14.280 13.420 36.896 1.00 0.00 O ATOM 1405 CB THR A 91 15.906 14.694 35.008 1.00 0.00 C ATOM 1406 OG1 THR A 91 16.998 15.305 34.337 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.605 14.987 34.265 1.00 0.00 C ATOM 0 H THR A 91 17.407 13.921 37.001 1.00 0.00 H new ATOM 0 HA THR A 91 15.711 16.276 36.447 1.00 0.00 H new ATOM 0 HB THR A 91 16.054 13.614 35.026 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.039 14.979 33.414 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.681 14.622 33.241 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.778 14.486 34.768 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.426 16.062 34.255 1.00 0.00 H new ATOM 1415 N TYR A 92 14.010 15.343 38.033 1.00 0.00 N ATOM 1416 CA TYR A 92 12.839 14.879 38.769 1.00 0.00 C ATOM 1417 C TYR A 92 11.597 15.029 37.896 1.00 0.00 C ATOM 1418 O TYR A 92 11.695 15.017 36.669 1.00 0.00 O ATOM 1419 CB TYR A 92 12.695 15.685 40.058 1.00 0.00 C ATOM 1420 CG TYR A 92 13.978 15.749 40.847 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.488 14.603 41.434 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.652 16.951 40.982 1.00 0.00 C ATOM 1423 CE1 TYR A 92 15.669 14.660 42.154 1.00 0.00 C ATOM 1424 CE2 TYR A 92 15.833 17.006 41.703 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.335 15.861 42.285 1.00 0.00 C ATOM 1426 OH TYR A 92 17.509 15.916 43.000 1.00 0.00 O ATOM 0 H TYR A 92 14.295 16.297 38.255 1.00 0.00 H new ATOM 0 HA TYR A 92 12.957 13.827 39.028 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.371 16.697 39.815 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.915 15.240 40.675 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.964 13.664 41.330 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.256 17.846 40.525 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.068 13.767 42.612 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.359 17.943 41.809 1.00 0.00 H new ATOM 0 HH TYR A 92 18.197 16.366 42.466 1.00 0.00 H new ATOM 1436 N ALA A 93 10.428 15.177 38.520 1.00 0.00 N ATOM 1437 CA ALA A 93 9.175 15.335 37.779 1.00 0.00 C ATOM 1438 C ALA A 93 8.710 13.998 37.213 1.00 0.00 C ATOM 1439 O ALA A 93 9.403 12.988 37.337 1.00 0.00 O ATOM 1440 CB ALA A 93 9.353 16.338 36.647 1.00 0.00 C ATOM 0 H ALA A 93 10.322 15.191 39.534 1.00 0.00 H new ATOM 0 HA ALA A 93 8.417 15.705 38.470 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.413 16.445 36.105 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.646 17.303 37.059 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.127 15.984 35.966 1.00 0.00 H new ATOM 1446 N PRO A 94 7.524 13.976 36.579 1.00 0.00 N ATOM 1447 CA PRO A 94 6.965 12.750 35.990 1.00 0.00 C ATOM 1448 C PRO A 94 7.667 12.367 34.691 1.00 0.00 C ATOM 1449 O PRO A 94 8.795 11.836 34.758 1.00 0.00 O ATOM 1450 CB PRO A 94 5.505 13.096 35.733 1.00 0.00 C ATOM 1451 CG PRO A 94 5.465 14.584 35.601 1.00 0.00 C ATOM 1452 CD PRO A 94 6.632 15.135 36.384 1.00 0.00 C ATOM 0 HA PRO A 94 7.091 11.890 36.648 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.140 12.612 34.827 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.871 12.757 36.553 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.531 14.879 34.554 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.524 14.979 35.984 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.133 15.935 35.839 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.309 15.552 37.338 1.00 0.00 H new