USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 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 -2 GLY N :NH3+ 175:sc= 0.764 (180deg=0) USER MOD Set 1.2: B 102 C O2' : rot 150:sc= 1.96 USER MOD Single : A 0 HIS : no HD1:sc=-0.000416 X(o=-0.00042,f=-0.11) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 88:sc= 1.29 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 149:sc= 0.0201 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 109:sc= 1.31 USER MOD Single : A 21 SER OG : rot -91:sc= 1.22 USER MOD Single : A 26 ASN : amide:sc= 0.235 X(o=0.23,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.19) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= 0.993 (180deg=-0.503) USER MOD Single : A 37 CYS SG : rot 138:sc= 0.604 USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.95) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0505 USER MOD Single : A 74 ASN : amide:sc= 1.15 K(o=1.1,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.0763 K(o=0.076,f=-2.6!) USER MOD Single : B 101 A O2' : rot 26:sc= 0.0881 USER MOD Single : B 101 A O5' : rot 32:sc= 1.22 USER MOD Single : B 103 A O2' : rot 13:sc= 0.848 USER MOD Single : B 104 U O2' : rot -55:sc= 0.672 USER MOD Single : B 105 C O2' : rot -14:sc= 0.105 USER MOD Single : B 106 A O2' : rot -21:sc= 0.332 USER MOD Single : B 106 A O3' : rot 180:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 31.281 29.704 44.641 1.00 0.00 N ATOM 2 CA GLY A -2 32.294 30.319 45.508 1.00 0.00 C ATOM 3 C GLY A -2 32.049 31.805 45.667 1.00 0.00 C ATOM 4 O GLY A -2 31.102 32.197 46.344 1.00 0.00 O ATOM 0 H1 GLY A -2 31.521 28.705 44.481 1.00 0.00 H new ATOM 0 H2 GLY A -2 30.349 29.767 45.097 1.00 0.00 H new ATOM 0 H3 GLY A -2 31.255 30.204 43.729 1.00 0.00 H new ATOM 0 HA2 GLY A -2 32.279 29.839 46.486 1.00 0.00 H new ATOM 0 HA3 GLY A -2 33.286 30.154 45.087 1.00 0.00 H new ATOM 10 N SER A -1 32.903 32.644 45.073 1.00 0.00 N ATOM 11 CA SER A -1 32.780 34.113 45.100 1.00 0.00 C ATOM 12 C SER A -1 33.613 34.762 43.985 1.00 0.00 C ATOM 13 O SER A -1 34.593 34.181 43.517 1.00 0.00 O ATOM 14 CB SER A -1 33.211 34.664 46.462 1.00 0.00 C ATOM 15 OG SER A -1 33.060 36.066 46.515 1.00 0.00 O ATOM 0 H SER A -1 33.716 32.320 44.549 1.00 0.00 H new ATOM 0 HA SER A -1 31.732 34.360 44.932 1.00 0.00 H new ATOM 0 HB2 SER A -1 32.616 34.201 47.249 1.00 0.00 H new ATOM 0 HB3 SER A -1 34.251 34.400 46.652 1.00 0.00 H new ATOM 0 HG SER A -1 33.340 36.392 47.396 1.00 0.00 H new ATOM 21 N HIS A 0 33.196 35.945 43.532 1.00 0.00 N ATOM 22 CA HIS A 0 33.774 36.657 42.383 1.00 0.00 C ATOM 23 C HIS A 0 34.980 37.549 42.772 1.00 0.00 C ATOM 24 O HIS A 0 35.396 37.583 43.928 1.00 0.00 O ATOM 25 CB HIS A 0 32.631 37.398 41.660 1.00 0.00 C ATOM 26 CG HIS A 0 32.423 38.833 42.076 1.00 0.00 C ATOM 27 ND1 HIS A 0 32.941 39.946 41.405 1.00 0.00 N ATOM 28 CD2 HIS A 0 31.759 39.253 43.190 1.00 0.00 C ATOM 29 CE1 HIS A 0 32.573 41.014 42.135 1.00 0.00 C ATOM 30 NE2 HIS A 0 31.862 40.626 43.210 1.00 0.00 N ATOM 0 H HIS A 0 32.424 36.452 43.965 1.00 0.00 H new ATOM 0 HA HIS A 0 34.216 35.947 41.683 1.00 0.00 H new ATOM 0 HB2 HIS A 0 32.826 37.373 40.588 1.00 0.00 H new ATOM 0 HB3 HIS A 0 31.703 36.851 41.828 1.00 0.00 H new ATOM 0 HD2 HIS A 0 31.252 38.632 43.914 1.00 0.00 H new ATOM 0 HE1 HIS A 0 32.814 42.039 41.893 1.00 0.00 H new ATOM 0 HE2 HIS A 0 31.467 41.244 43.919 1.00 0.00 H new ATOM 38 N MET A 1 35.567 38.254 41.798 1.00 0.00 N ATOM 39 CA MET A 1 36.693 39.185 42.000 1.00 0.00 C ATOM 40 C MET A 1 36.593 40.394 41.057 1.00 0.00 C ATOM 41 O MET A 1 36.396 40.220 39.852 1.00 0.00 O ATOM 42 CB MET A 1 38.044 38.482 41.743 1.00 0.00 C ATOM 43 CG MET A 1 38.336 37.262 42.625 1.00 0.00 C ATOM 44 SD MET A 1 39.862 36.363 42.198 1.00 0.00 S ATOM 45 CE MET A 1 41.120 37.506 42.830 1.00 0.00 C ATOM 0 H MET A 1 35.269 38.195 40.824 1.00 0.00 H new ATOM 0 HA MET A 1 36.641 39.523 43.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 38.077 38.169 40.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 38.844 39.209 41.884 1.00 0.00 H new ATOM 0 HG2 MET A 1 38.401 37.588 43.663 1.00 0.00 H new ATOM 0 HG3 MET A 1 37.494 36.573 42.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 42.112 37.095 42.643 1.00 0.00 H new ATOM 0 HE2 MET A 1 41.025 38.467 42.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 40.981 37.644 43.902 1.00 0.00 H new ATOM 55 N VAL A 2 36.815 41.615 41.556 1.00 0.00 N ATOM 56 CA VAL A 2 37.258 42.735 40.705 1.00 0.00 C ATOM 57 C VAL A 2 38.766 42.620 40.447 1.00 0.00 C ATOM 58 O VAL A 2 39.516 42.199 41.329 1.00 0.00 O ATOM 59 CB VAL A 2 36.857 44.108 41.291 1.00 0.00 C ATOM 60 CG1 VAL A 2 37.718 44.554 42.479 1.00 0.00 C ATOM 61 CG2 VAL A 2 36.930 45.207 40.222 1.00 0.00 C ATOM 0 H VAL A 2 36.697 41.856 42.540 1.00 0.00 H new ATOM 0 HA VAL A 2 36.743 42.670 39.746 1.00 0.00 H new ATOM 0 HB VAL A 2 35.836 43.968 41.645 1.00 0.00 H new ATOM 0 HG11 VAL A 2 37.374 45.526 42.833 1.00 0.00 H new ATOM 0 HG12 VAL A 2 37.634 43.824 43.284 1.00 0.00 H new ATOM 0 HG13 VAL A 2 38.759 44.630 42.166 1.00 0.00 H new ATOM 0 HG21 VAL A 2 36.643 46.162 40.662 1.00 0.00 H new ATOM 0 HG22 VAL A 2 37.948 45.275 39.839 1.00 0.00 H new ATOM 0 HG23 VAL A 2 36.251 44.965 39.405 1.00 0.00 H new ATOM 71 N ILE A 3 39.213 42.993 39.243 1.00 0.00 N ATOM 72 CA ILE A 3 40.636 43.059 38.863 1.00 0.00 C ATOM 73 C ILE A 3 40.878 44.375 38.112 1.00 0.00 C ATOM 74 O ILE A 3 41.407 45.324 38.690 1.00 0.00 O ATOM 75 CB ILE A 3 41.085 41.789 38.087 1.00 0.00 C ATOM 76 CG1 ILE A 3 40.860 40.503 38.923 1.00 0.00 C ATOM 77 CG2 ILE A 3 42.564 41.906 37.669 1.00 0.00 C ATOM 78 CD1 ILE A 3 41.244 39.194 38.220 1.00 0.00 C ATOM 0 H ILE A 3 38.585 43.264 38.486 1.00 0.00 H new ATOM 0 HA ILE A 3 41.267 43.064 39.752 1.00 0.00 H new ATOM 0 HB ILE A 3 40.470 41.715 37.190 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.434 40.583 39.846 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.808 40.451 39.205 1.00 0.00 H new ATOM 0 HG21 ILE A 3 42.861 41.008 37.127 1.00 0.00 H new ATOM 0 HG22 ILE A 3 42.693 42.777 37.026 1.00 0.00 H new ATOM 0 HG23 ILE A 3 43.186 42.016 38.558 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.050 38.353 38.886 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.652 39.082 37.312 1.00 0.00 H new ATOM 0 HD13 ILE A 3 42.303 39.216 37.963 1.00 0.00 H new ATOM 90 N ARG A 4 40.391 44.460 36.865 1.00 0.00 N ATOM 91 CA ARG A 4 40.361 45.637 35.973 1.00 0.00 C ATOM 92 C ARG A 4 39.018 45.652 35.235 1.00 0.00 C ATOM 93 O ARG A 4 38.431 44.588 35.069 1.00 0.00 O ATOM 94 CB ARG A 4 41.517 45.567 34.954 1.00 0.00 C ATOM 95 CG ARG A 4 42.914 45.646 35.587 1.00 0.00 C ATOM 96 CD ARG A 4 44.012 45.286 34.576 1.00 0.00 C ATOM 97 NE ARG A 4 45.118 44.575 35.245 1.00 0.00 N ATOM 98 CZ ARG A 4 45.864 43.593 34.778 1.00 0.00 C ATOM 99 NH1 ARG A 4 45.765 43.110 33.573 1.00 0.00 N ATOM 100 NH2 ARG A 4 46.729 43.042 35.567 1.00 0.00 N ATOM 0 H ARG A 4 39.974 43.645 36.415 1.00 0.00 H new ATOM 0 HA ARG A 4 40.478 46.547 36.561 1.00 0.00 H new ATOM 0 HB2 ARG A 4 41.436 44.637 34.392 1.00 0.00 H new ATOM 0 HB3 ARG A 4 41.407 46.382 34.239 1.00 0.00 H new ATOM 0 HG2 ARG A 4 43.085 46.653 35.968 1.00 0.00 H new ATOM 0 HG3 ARG A 4 42.967 44.969 36.440 1.00 0.00 H new ATOM 0 HD2 ARG A 4 43.596 44.661 33.785 1.00 0.00 H new ATOM 0 HD3 ARG A 4 44.389 46.192 34.101 1.00 0.00 H new ATOM 0 HE ARG A 4 45.334 44.883 36.193 1.00 0.00 H new ATOM 0 HH11 ARG A 4 45.077 43.493 32.925 1.00 0.00 H new ATOM 0 HH12 ARG A 4 46.375 42.348 33.277 1.00 0.00 H new ATOM 0 HH21 ARG A 4 46.823 43.369 36.529 1.00 0.00 H new ATOM 0 HH22 ARG A 4 47.317 42.281 35.227 1.00 0.00 H new ATOM 114 N GLU A 5 38.520 46.830 34.859 1.00 0.00 N ATOM 115 CA GLU A 5 37.276 47.096 34.090 1.00 0.00 C ATOM 116 C GLU A 5 35.956 46.488 34.638 1.00 0.00 C ATOM 117 O GLU A 5 34.885 46.741 34.091 1.00 0.00 O ATOM 118 CB GLU A 5 37.493 46.779 32.590 1.00 0.00 C ATOM 119 CG GLU A 5 38.165 47.909 31.783 1.00 0.00 C ATOM 120 CD GLU A 5 39.695 47.957 31.909 1.00 0.00 C ATOM 121 OE1 GLU A 5 40.213 48.369 32.972 1.00 0.00 O ATOM 122 OE2 GLU A 5 40.391 47.607 30.926 1.00 0.00 O ATOM 0 H GLU A 5 39.002 47.697 35.095 1.00 0.00 H new ATOM 0 HA GLU A 5 37.101 48.163 34.226 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.103 45.880 32.507 1.00 0.00 H new ATOM 0 HB3 GLU A 5 36.528 46.552 32.137 1.00 0.00 H new ATOM 0 HG2 GLU A 5 37.903 47.793 30.731 1.00 0.00 H new ATOM 0 HG3 GLU A 5 37.756 48.865 32.110 1.00 0.00 H new ATOM 129 N SER A 6 36.011 45.763 35.763 1.00 0.00 N ATOM 130 CA SER A 6 34.976 44.864 36.300 1.00 0.00 C ATOM 131 C SER A 6 34.742 43.621 35.433 1.00 0.00 C ATOM 132 O SER A 6 34.363 43.705 34.273 1.00 0.00 O ATOM 133 CB SER A 6 33.690 45.625 36.606 1.00 0.00 C ATOM 134 OG SER A 6 32.808 44.848 37.392 1.00 0.00 O ATOM 0 H SER A 6 36.835 45.789 36.364 1.00 0.00 H new ATOM 0 HA SER A 6 35.355 44.477 37.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.928 46.550 37.130 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.199 45.904 35.674 1.00 0.00 H new ATOM 0 HG SER A 6 31.993 45.361 37.574 1.00 0.00 H new ATOM 140 N VAL A 7 34.971 42.436 36.013 1.00 0.00 N ATOM 141 CA VAL A 7 35.079 41.166 35.273 1.00 0.00 C ATOM 142 C VAL A 7 33.697 40.536 35.009 1.00 0.00 C ATOM 143 O VAL A 7 33.356 39.488 35.562 1.00 0.00 O ATOM 144 CB VAL A 7 36.072 40.201 35.968 1.00 0.00 C ATOM 145 CG1 VAL A 7 36.514 39.090 35.010 1.00 0.00 C ATOM 146 CG2 VAL A 7 37.351 40.901 36.466 1.00 0.00 C ATOM 0 H VAL A 7 35.088 42.328 37.020 1.00 0.00 H new ATOM 0 HA VAL A 7 35.494 41.381 34.288 1.00 0.00 H new ATOM 0 HB VAL A 7 35.528 39.800 36.823 1.00 0.00 H new ATOM 0 HG11 VAL A 7 37.211 38.425 35.521 1.00 0.00 H new ATOM 0 HG12 VAL A 7 35.642 38.522 34.685 1.00 0.00 H new ATOM 0 HG13 VAL A 7 37.004 39.531 34.142 1.00 0.00 H new ATOM 0 HG21 VAL A 7 38.004 40.170 36.943 1.00 0.00 H new ATOM 0 HG22 VAL A 7 37.870 41.355 35.622 1.00 0.00 H new ATOM 0 HG23 VAL A 7 37.085 41.675 37.187 1.00 0.00 H new ATOM 156 N SER A 8 32.868 41.203 34.201 1.00 0.00 N ATOM 157 CA SER A 8 31.562 40.707 33.735 1.00 0.00 C ATOM 158 C SER A 8 31.705 39.482 32.824 1.00 0.00 C ATOM 159 O SER A 8 32.537 39.454 31.922 1.00 0.00 O ATOM 160 CB SER A 8 30.777 41.825 33.032 1.00 0.00 C ATOM 161 OG SER A 8 31.600 42.650 32.228 1.00 0.00 O ATOM 0 H SER A 8 33.090 42.131 33.840 1.00 0.00 H new ATOM 0 HA SER A 8 31.001 40.390 34.614 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.998 41.381 32.412 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.277 42.438 33.781 1.00 0.00 H new ATOM 0 HG SER A 8 31.672 42.264 31.330 1.00 0.00 H new ATOM 167 N ARG A 9 30.901 38.437 33.071 1.00 0.00 N ATOM 168 CA ARG A 9 31.055 37.117 32.430 1.00 0.00 C ATOM 169 C ARG A 9 29.829 36.218 32.590 1.00 0.00 C ATOM 170 O ARG A 9 29.351 36.021 33.706 1.00 0.00 O ATOM 171 CB ARG A 9 32.327 36.422 32.960 1.00 0.00 C ATOM 172 CG ARG A 9 32.494 36.390 34.492 1.00 0.00 C ATOM 173 CD ARG A 9 33.964 36.139 34.843 1.00 0.00 C ATOM 174 NE ARG A 9 34.300 36.589 36.208 1.00 0.00 N ATOM 175 CZ ARG A 9 35.234 36.082 36.991 1.00 0.00 C ATOM 176 NH1 ARG A 9 36.068 35.171 36.574 1.00 0.00 N ATOM 177 NH2 ARG A 9 35.370 36.483 38.216 1.00 0.00 N ATOM 0 H ARG A 9 30.120 38.482 33.725 1.00 0.00 H new ATOM 0 HA ARG A 9 31.155 37.292 31.359 1.00 0.00 H new ATOM 0 HB2 ARG A 9 32.336 35.396 32.592 1.00 0.00 H new ATOM 0 HB3 ARG A 9 33.195 36.922 32.531 1.00 0.00 H new ATOM 0 HG2 ARG A 9 32.163 37.334 34.924 1.00 0.00 H new ATOM 0 HG3 ARG A 9 31.868 35.607 34.920 1.00 0.00 H new ATOM 0 HD2 ARG A 9 34.180 35.075 34.750 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.600 36.657 34.125 1.00 0.00 H new ATOM 0 HE ARG A 9 33.758 37.367 36.583 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.011 34.828 35.615 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.778 34.801 37.207 1.00 0.00 H new ATOM 0 HH21 ARG A 9 34.750 37.202 38.589 1.00 0.00 H new ATOM 0 HH22 ARG A 9 36.097 36.080 38.807 1.00 0.00 H new ATOM 191 N ILE A 10 29.331 35.655 31.487 1.00 0.00 N ATOM 192 CA ILE A 10 28.318 34.589 31.499 1.00 0.00 C ATOM 193 C ILE A 10 28.934 33.306 32.057 1.00 0.00 C ATOM 194 O ILE A 10 30.108 33.001 31.825 1.00 0.00 O ATOM 195 CB ILE A 10 27.680 34.394 30.093 1.00 0.00 C ATOM 196 CG1 ILE A 10 26.695 35.564 29.841 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.971 33.031 29.934 1.00 0.00 C ATOM 198 CD1 ILE A 10 25.743 35.398 28.651 1.00 0.00 C ATOM 0 H ILE A 10 29.621 35.927 30.548 1.00 0.00 H new ATOM 0 HA ILE A 10 27.498 34.877 32.156 1.00 0.00 H new ATOM 0 HB ILE A 10 28.477 34.397 29.350 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.098 35.710 30.741 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.275 36.475 29.692 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.547 32.956 28.933 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.691 32.227 30.084 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.174 32.947 30.673 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.102 36.276 28.572 1.00 0.00 H new ATOM 0 HD12 ILE A 10 26.322 35.288 27.734 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.127 34.511 28.799 1.00 0.00 H new ATOM 210 N TYR A 11 28.113 32.542 32.773 1.00 0.00 N ATOM 211 CA TYR A 11 28.414 31.212 33.275 1.00 0.00 C ATOM 212 C TYR A 11 27.464 30.180 32.642 1.00 0.00 C ATOM 213 O TYR A 11 26.296 30.468 32.361 1.00 0.00 O ATOM 214 CB TYR A 11 28.346 31.256 34.809 1.00 0.00 C ATOM 215 CG TYR A 11 27.856 29.993 35.472 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.720 28.909 35.701 1.00 0.00 C ATOM 217 CD2 TYR A 11 26.502 29.905 35.841 1.00 0.00 C ATOM 218 CE1 TYR A 11 28.233 27.749 36.324 1.00 0.00 C ATOM 219 CE2 TYR A 11 26.004 28.739 36.449 1.00 0.00 C ATOM 220 CZ TYR A 11 26.873 27.658 36.694 1.00 0.00 C ATOM 221 OH TYR A 11 26.421 26.571 37.365 1.00 0.00 O ATOM 0 H TYR A 11 27.176 32.852 33.029 1.00 0.00 H new ATOM 0 HA TYR A 11 29.419 30.896 32.995 1.00 0.00 H new ATOM 0 HB2 TYR A 11 29.340 31.486 35.193 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.693 32.077 35.103 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.755 28.968 35.399 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.840 30.738 35.656 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.901 26.923 36.521 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.962 28.673 36.726 1.00 0.00 H new ATOM 0 HH TYR A 11 25.682 26.833 37.953 1.00 0.00 H new ATOM 231 N VAL A 12 27.964 28.963 32.439 1.00 0.00 N ATOM 232 CA VAL A 12 27.145 27.794 32.119 1.00 0.00 C ATOM 233 C VAL A 12 27.638 26.571 32.895 1.00 0.00 C ATOM 234 O VAL A 12 28.840 26.313 32.979 1.00 0.00 O ATOM 235 CB VAL A 12 27.025 27.578 30.595 1.00 0.00 C ATOM 236 CG1 VAL A 12 28.368 27.296 29.913 1.00 0.00 C ATOM 237 CG2 VAL A 12 26.060 26.441 30.242 1.00 0.00 C ATOM 0 H VAL A 12 28.962 28.758 32.493 1.00 0.00 H new ATOM 0 HA VAL A 12 26.122 27.972 32.451 1.00 0.00 H new ATOM 0 HB VAL A 12 26.635 28.524 30.220 1.00 0.00 H new ATOM 0 HG11 VAL A 12 28.210 27.154 28.844 1.00 0.00 H new ATOM 0 HG12 VAL A 12 29.041 28.139 30.072 1.00 0.00 H new ATOM 0 HG13 VAL A 12 28.809 26.394 30.337 1.00 0.00 H new ATOM 0 HG21 VAL A 12 26.010 26.329 29.159 1.00 0.00 H new ATOM 0 HG22 VAL A 12 26.415 25.511 30.687 1.00 0.00 H new ATOM 0 HG23 VAL A 12 25.068 26.673 30.629 1.00 0.00 H new ATOM 247 N GLY A 13 26.703 25.821 33.475 1.00 0.00 N ATOM 248 CA GLY A 13 26.947 24.601 34.241 1.00 0.00 C ATOM 249 C GLY A 13 26.053 23.449 33.797 1.00 0.00 C ATOM 250 O GLY A 13 25.017 23.661 33.158 1.00 0.00 O ATOM 0 H GLY A 13 25.712 26.057 33.421 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.992 24.310 34.132 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.780 24.800 35.300 1.00 0.00 H new ATOM 254 N ASN A 14 26.487 22.222 34.101 1.00 0.00 N ATOM 255 CA ASN A 14 25.840 20.990 33.637 1.00 0.00 C ATOM 256 C ASN A 14 25.663 20.998 32.105 1.00 0.00 C ATOM 257 O ASN A 14 24.598 20.669 31.593 1.00 0.00 O ATOM 258 CB ASN A 14 24.534 20.739 34.420 1.00 0.00 C ATOM 259 CG ASN A 14 24.748 20.728 35.920 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.645 21.739 36.595 1.00 0.00 O ATOM 261 ND2 ASN A 14 25.071 19.585 36.475 1.00 0.00 N ATOM 0 H ASN A 14 27.307 22.054 34.683 1.00 0.00 H new ATOM 0 HA ASN A 14 26.488 20.139 33.849 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.808 21.511 34.166 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.107 19.785 34.110 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.239 19.535 37.480 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.155 18.745 35.902 1.00 0.00 H new ATOM 268 N LEU A 15 26.697 21.460 31.392 1.00 0.00 N ATOM 269 CA LEU A 15 26.695 21.658 29.942 1.00 0.00 C ATOM 270 C LEU A 15 26.835 20.332 29.159 1.00 0.00 C ATOM 271 O LEU A 15 27.397 19.370 29.682 1.00 0.00 O ATOM 272 CB LEU A 15 27.781 22.699 29.587 1.00 0.00 C ATOM 273 CG LEU A 15 29.241 22.329 29.922 1.00 0.00 C ATOM 274 CD1 LEU A 15 29.941 21.558 28.805 1.00 0.00 C ATOM 275 CD2 LEU A 15 30.052 23.605 30.143 1.00 0.00 C ATOM 0 H LEU A 15 27.585 21.714 31.824 1.00 0.00 H new ATOM 0 HA LEU A 15 25.726 22.048 29.631 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.720 22.902 28.518 1.00 0.00 H new ATOM 0 HB3 LEU A 15 27.540 23.629 30.102 1.00 0.00 H new ATOM 0 HG LEU A 15 29.194 21.699 30.810 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.963 21.330 29.106 1.00 0.00 H new ATOM 0 HD12 LEU A 15 29.404 20.630 28.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.956 22.164 27.899 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.084 23.344 30.380 1.00 0.00 H new ATOM 0 HD22 LEU A 15 30.030 24.212 29.238 1.00 0.00 H new ATOM 0 HD23 LEU A 15 29.622 24.171 30.970 1.00 0.00 H new ATOM 287 N PRO A 16 26.359 20.262 27.900 1.00 0.00 N ATOM 288 CA PRO A 16 26.549 19.097 27.041 1.00 0.00 C ATOM 289 C PRO A 16 28.025 18.918 26.641 1.00 0.00 C ATOM 290 O PRO A 16 28.639 19.801 26.035 1.00 0.00 O ATOM 291 CB PRO A 16 25.642 19.332 25.827 1.00 0.00 C ATOM 292 CG PRO A 16 25.542 20.854 25.741 1.00 0.00 C ATOM 293 CD PRO A 16 25.581 21.281 27.205 1.00 0.00 C ATOM 0 HA PRO A 16 26.286 18.172 27.554 1.00 0.00 H new ATOM 0 HB2 PRO A 16 26.070 18.907 24.919 1.00 0.00 H new ATOM 0 HB3 PRO A 16 24.663 18.873 25.964 1.00 0.00 H new ATOM 0 HG2 PRO A 16 26.368 21.282 25.173 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.621 21.171 25.252 1.00 0.00 H new ATOM 0 HD2 PRO A 16 26.040 22.264 27.313 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.575 21.353 27.618 1.00 0.00 H new ATOM 301 N SER A 17 28.583 17.743 26.948 1.00 0.00 N ATOM 302 CA SER A 17 29.972 17.357 26.657 1.00 0.00 C ATOM 303 C SER A 17 31.003 18.354 27.230 1.00 0.00 C ATOM 304 O SER A 17 31.153 18.458 28.449 1.00 0.00 O ATOM 305 CB SER A 17 30.163 17.077 25.154 1.00 0.00 C ATOM 306 OG SER A 17 29.229 16.144 24.635 1.00 0.00 O ATOM 0 H SER A 17 28.063 17.006 27.424 1.00 0.00 H new ATOM 0 HA SER A 17 30.169 16.422 27.181 1.00 0.00 H new ATOM 0 HB2 SER A 17 30.076 18.013 24.603 1.00 0.00 H new ATOM 0 HB3 SER A 17 31.173 16.702 24.987 1.00 0.00 H new ATOM 0 HG SER A 17 29.399 16.009 23.679 1.00 0.00 H new ATOM 312 N HIS A 18 31.741 19.065 26.367 1.00 0.00 N ATOM 313 CA HIS A 18 32.753 20.076 26.700 1.00 0.00 C ATOM 314 C HIS A 18 33.049 20.922 25.451 1.00 0.00 C ATOM 315 O HIS A 18 34.107 20.803 24.837 1.00 0.00 O ATOM 316 CB HIS A 18 34.013 19.418 27.306 1.00 0.00 C ATOM 317 CG HIS A 18 34.451 18.117 26.672 1.00 0.00 C ATOM 318 ND1 HIS A 18 34.097 16.845 27.130 1.00 0.00 N ATOM 319 CD2 HIS A 18 35.242 17.979 25.571 1.00 0.00 C ATOM 320 CE1 HIS A 18 34.655 15.973 26.277 1.00 0.00 C ATOM 321 NE2 HIS A 18 35.362 16.628 25.344 1.00 0.00 N ATOM 0 H HIS A 18 31.642 18.943 25.359 1.00 0.00 H new ATOM 0 HA HIS A 18 32.373 20.747 27.470 1.00 0.00 H new ATOM 0 HB2 HIS A 18 34.837 20.128 27.239 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.832 19.240 28.366 1.00 0.00 H new ATOM 0 HD2 HIS A 18 35.687 18.774 24.991 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.550 14.900 26.333 1.00 0.00 H new ATOM 0 HE2 HIS A 18 35.899 16.196 24.592 1.00 0.00 H new ATOM 329 N VAL A 19 32.068 21.726 25.023 1.00 0.00 N ATOM 330 CA VAL A 19 32.134 22.514 23.777 1.00 0.00 C ATOM 331 C VAL A 19 33.347 23.459 23.734 1.00 0.00 C ATOM 332 O VAL A 19 33.636 24.182 24.685 1.00 0.00 O ATOM 333 CB VAL A 19 30.798 23.244 23.514 1.00 0.00 C ATOM 334 CG1 VAL A 19 30.437 24.286 24.579 1.00 0.00 C ATOM 335 CG2 VAL A 19 30.787 23.919 22.135 1.00 0.00 C ATOM 0 H VAL A 19 31.195 21.852 25.535 1.00 0.00 H new ATOM 0 HA VAL A 19 32.287 21.812 22.957 1.00 0.00 H new ATOM 0 HB VAL A 19 30.043 22.459 23.554 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.487 24.754 24.323 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.351 23.799 25.550 1.00 0.00 H new ATOM 0 HG13 VAL A 19 31.216 25.047 24.622 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.832 24.423 21.984 1.00 0.00 H new ATOM 0 HG22 VAL A 19 31.595 24.649 22.081 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.926 23.165 21.360 1.00 0.00 H new ATOM 345 N SER A 20 34.078 23.440 22.617 1.00 0.00 N ATOM 346 CA SER A 20 35.369 24.120 22.460 1.00 0.00 C ATOM 347 C SER A 20 35.260 25.651 22.413 1.00 0.00 C ATOM 348 O SER A 20 34.371 26.221 21.775 1.00 0.00 O ATOM 349 CB SER A 20 36.143 23.593 21.234 1.00 0.00 C ATOM 350 OG SER A 20 35.391 22.696 20.434 1.00 0.00 O ATOM 0 H SER A 20 33.784 22.941 21.777 1.00 0.00 H new ATOM 0 HA SER A 20 35.932 23.879 23.361 1.00 0.00 H new ATOM 0 HB2 SER A 20 36.457 24.438 20.621 1.00 0.00 H new ATOM 0 HB3 SER A 20 37.049 23.092 21.574 1.00 0.00 H new ATOM 0 HG SER A 20 35.155 23.131 19.588 1.00 0.00 H new ATOM 356 N SER A 21 36.242 26.332 23.015 1.00 0.00 N ATOM 357 CA SER A 21 36.295 27.797 23.157 1.00 0.00 C ATOM 358 C SER A 21 36.079 28.580 21.856 1.00 0.00 C ATOM 359 O SER A 21 35.427 29.620 21.872 1.00 0.00 O ATOM 360 CB SER A 21 37.655 28.185 23.741 1.00 0.00 C ATOM 361 OG SER A 21 37.780 27.646 25.042 1.00 0.00 O ATOM 0 H SER A 21 37.049 25.867 23.431 1.00 0.00 H new ATOM 0 HA SER A 21 35.466 28.065 23.812 1.00 0.00 H new ATOM 0 HB2 SER A 21 38.456 27.813 23.103 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.752 29.270 23.774 1.00 0.00 H new ATOM 0 HG SER A 21 37.453 28.296 25.698 1.00 0.00 H new ATOM 367 N ARG A 22 36.595 28.086 20.723 1.00 0.00 N ATOM 368 CA ARG A 22 36.500 28.768 19.418 1.00 0.00 C ATOM 369 C ARG A 22 35.127 28.623 18.744 1.00 0.00 C ATOM 370 O ARG A 22 34.716 29.515 18.005 1.00 0.00 O ATOM 371 CB ARG A 22 37.638 28.300 18.492 1.00 0.00 C ATOM 372 CG ARG A 22 39.053 28.491 19.087 1.00 0.00 C ATOM 373 CD ARG A 22 39.663 27.228 19.723 1.00 0.00 C ATOM 374 NE ARG A 22 39.819 26.169 18.715 1.00 0.00 N ATOM 375 CZ ARG A 22 40.306 24.955 18.851 1.00 0.00 C ATOM 376 NH1 ARG A 22 40.762 24.469 19.964 1.00 0.00 N ATOM 377 NH2 ARG A 22 40.344 24.173 17.818 1.00 0.00 N ATOM 0 H ARG A 22 37.094 27.197 20.682 1.00 0.00 H new ATOM 0 HA ARG A 22 36.612 29.835 19.611 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.492 27.245 18.259 1.00 0.00 H new ATOM 0 HB3 ARG A 22 37.574 28.846 17.551 1.00 0.00 H new ATOM 0 HG2 ARG A 22 39.719 28.841 18.298 1.00 0.00 H new ATOM 0 HG3 ARG A 22 39.011 29.277 19.841 1.00 0.00 H new ATOM 0 HD2 ARG A 22 40.632 27.466 20.162 1.00 0.00 H new ATOM 0 HD3 ARG A 22 39.024 26.876 20.533 1.00 0.00 H new ATOM 0 HE ARG A 22 39.504 26.411 17.775 1.00 0.00 H new ATOM 0 HH11 ARG A 22 40.757 25.040 20.809 1.00 0.00 H new ATOM 0 HH12 ARG A 22 41.125 23.516 19.994 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.999 24.502 16.916 1.00 0.00 H new ATOM 0 HH22 ARG A 22 40.719 23.229 17.907 1.00 0.00 H new ATOM 391 N ASP A 23 34.384 27.556 19.046 1.00 0.00 N ATOM 392 CA ASP A 23 32.988 27.412 18.616 1.00 0.00 C ATOM 393 C ASP A 23 32.092 28.423 19.350 1.00 0.00 C ATOM 394 O ASP A 23 31.339 29.170 18.724 1.00 0.00 O ATOM 395 CB ASP A 23 32.494 25.976 18.855 1.00 0.00 C ATOM 396 CG ASP A 23 33.355 24.922 18.157 1.00 0.00 C ATOM 397 OD1 ASP A 23 33.392 24.894 16.909 1.00 0.00 O ATOM 398 OD2 ASP A 23 33.984 24.096 18.858 1.00 0.00 O ATOM 0 H ASP A 23 34.730 26.768 19.594 1.00 0.00 H new ATOM 0 HA ASP A 23 32.934 27.618 17.547 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.482 25.776 19.926 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.466 25.888 18.503 1.00 0.00 H new ATOM 403 N VAL A 24 32.231 28.522 20.678 1.00 0.00 N ATOM 404 CA VAL A 24 31.475 29.506 21.471 1.00 0.00 C ATOM 405 C VAL A 24 31.943 30.951 21.247 1.00 0.00 C ATOM 406 O VAL A 24 31.146 31.868 21.433 1.00 0.00 O ATOM 407 CB VAL A 24 31.423 29.143 22.968 1.00 0.00 C ATOM 408 CG1 VAL A 24 30.791 27.765 23.184 1.00 0.00 C ATOM 409 CG2 VAL A 24 32.780 29.177 23.670 1.00 0.00 C ATOM 0 H VAL A 24 32.858 27.935 21.227 1.00 0.00 H new ATOM 0 HA VAL A 24 30.452 29.457 21.097 1.00 0.00 H new ATOM 0 HB VAL A 24 30.806 29.921 23.417 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.769 27.538 24.250 1.00 0.00 H new ATOM 0 HG12 VAL A 24 29.774 27.766 22.792 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.380 27.009 22.664 1.00 0.00 H new ATOM 0 HG21 VAL A 24 32.654 28.909 24.719 1.00 0.00 H new ATOM 0 HG22 VAL A 24 33.454 28.466 23.193 1.00 0.00 H new ATOM 0 HG23 VAL A 24 33.201 30.180 23.600 1.00 0.00 H new ATOM 419 N GLU A 25 33.178 31.180 20.775 1.00 0.00 N ATOM 420 CA GLU A 25 33.624 32.510 20.321 1.00 0.00 C ATOM 421 C GLU A 25 32.789 33.020 19.137 1.00 0.00 C ATOM 422 O GLU A 25 32.520 34.213 19.046 1.00 0.00 O ATOM 423 CB GLU A 25 35.127 32.505 19.952 1.00 0.00 C ATOM 424 CG GLU A 25 35.745 33.919 19.998 1.00 0.00 C ATOM 425 CD GLU A 25 36.770 34.227 18.895 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.529 33.350 18.416 1.00 0.00 O ATOM 427 OE2 GLU A 25 36.865 35.400 18.459 1.00 0.00 O ATOM 0 H GLU A 25 33.892 30.456 20.697 1.00 0.00 H new ATOM 0 HA GLU A 25 33.475 33.193 21.157 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.666 31.853 20.639 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.252 32.088 18.953 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.940 34.651 19.937 1.00 0.00 H new ATOM 0 HG3 GLU A 25 36.227 34.055 20.966 1.00 0.00 H new ATOM 434 N ASN A 26 32.316 32.135 18.250 1.00 0.00 N ATOM 435 CA ASN A 26 31.362 32.509 17.202 1.00 0.00 C ATOM 436 C ASN A 26 29.973 32.802 17.787 1.00 0.00 C ATOM 437 O ASN A 26 29.402 33.858 17.520 1.00 0.00 O ATOM 438 CB ASN A 26 31.285 31.404 16.138 1.00 0.00 C ATOM 439 CG ASN A 26 32.446 31.426 15.171 1.00 0.00 C ATOM 440 OD1 ASN A 26 32.380 32.059 14.122 1.00 0.00 O ATOM 441 ND2 ASN A 26 33.520 30.740 15.482 1.00 0.00 N ATOM 0 H ASN A 26 32.581 31.150 18.239 1.00 0.00 H new ATOM 0 HA ASN A 26 31.717 33.425 16.731 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.252 30.434 16.633 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.354 31.510 15.581 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.318 30.727 14.847 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.557 30.220 16.359 1.00 0.00 H new ATOM 448 N GLU A 27 29.431 31.881 18.591 1.00 0.00 N ATOM 449 CA GLU A 27 28.050 31.978 19.083 1.00 0.00 C ATOM 450 C GLU A 27 27.816 33.198 19.992 1.00 0.00 C ATOM 451 O GLU A 27 26.807 33.891 19.850 1.00 0.00 O ATOM 452 CB GLU A 27 27.666 30.658 19.776 1.00 0.00 C ATOM 453 CG GLU A 27 26.172 30.571 20.141 1.00 0.00 C ATOM 454 CD GLU A 27 25.571 29.224 19.724 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.765 28.195 20.404 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.922 29.133 18.655 1.00 0.00 O ATOM 0 H GLU A 27 29.931 31.054 18.917 1.00 0.00 H new ATOM 0 HA GLU A 27 27.396 32.137 18.226 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.922 29.825 19.121 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.261 30.546 20.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.050 30.708 21.215 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.629 31.380 19.652 1.00 0.00 H new ATOM 463 N PHE A 28 28.755 33.520 20.891 1.00 0.00 N ATOM 464 CA PHE A 28 28.585 34.649 21.811 1.00 0.00 C ATOM 465 C PHE A 28 28.788 36.039 21.182 1.00 0.00 C ATOM 466 O PHE A 28 28.350 37.024 21.778 1.00 0.00 O ATOM 467 CB PHE A 28 29.388 34.439 23.100 1.00 0.00 C ATOM 468 CG PHE A 28 28.779 33.375 24.002 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.480 33.548 24.523 1.00 0.00 C ATOM 470 CD2 PHE A 28 29.492 32.205 24.316 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.906 32.572 25.354 1.00 0.00 C ATOM 472 CE2 PHE A 28 28.914 31.220 25.140 1.00 0.00 C ATOM 473 CZ PHE A 28 27.625 31.405 25.664 1.00 0.00 C ATOM 0 H PHE A 28 29.636 33.017 21.000 1.00 0.00 H new ATOM 0 HA PHE A 28 27.528 34.654 22.079 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.409 34.153 22.845 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.447 35.381 23.645 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.921 34.440 24.281 1.00 0.00 H new ATOM 0 HD2 PHE A 28 30.488 32.061 23.923 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.914 32.718 25.754 1.00 0.00 H new ATOM 0 HE2 PHE A 28 29.464 30.319 25.369 1.00 0.00 H new ATOM 0 HZ PHE A 28 27.187 30.653 26.303 1.00 0.00 H new ATOM 483 N ARG A 29 29.316 36.154 19.952 1.00 0.00 N ATOM 484 CA ARG A 29 29.395 37.451 19.234 1.00 0.00 C ATOM 485 C ARG A 29 28.020 38.053 18.907 1.00 0.00 C ATOM 486 O ARG A 29 27.932 39.267 18.757 1.00 0.00 O ATOM 487 CB ARG A 29 30.275 37.327 17.979 1.00 0.00 C ATOM 488 CG ARG A 29 31.762 37.249 18.364 1.00 0.00 C ATOM 489 CD ARG A 29 32.656 36.726 17.229 1.00 0.00 C ATOM 490 NE ARG A 29 33.293 37.797 16.438 1.00 0.00 N ATOM 491 CZ ARG A 29 32.830 38.416 15.368 1.00 0.00 C ATOM 492 NH1 ARG A 29 31.647 38.175 14.881 1.00 0.00 N ATOM 493 NH2 ARG A 29 33.564 39.288 14.748 1.00 0.00 N ATOM 0 H ARG A 29 29.697 35.366 19.428 1.00 0.00 H new ATOM 0 HA ARG A 29 29.867 38.156 19.918 1.00 0.00 H new ATOM 0 HB2 ARG A 29 29.992 36.437 17.417 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.108 38.183 17.325 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.106 38.240 18.661 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.872 36.600 19.233 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.432 36.088 17.653 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.058 36.102 16.565 1.00 0.00 H new ATOM 0 HE ARG A 29 34.212 38.099 16.761 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.042 37.487 15.329 1.00 0.00 H new ATOM 0 HH12 ARG A 29 31.325 38.675 14.052 1.00 0.00 H new ATOM 0 HH21 ARG A 29 34.503 39.498 15.087 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.202 39.764 13.922 1.00 0.00 H new ATOM 507 N LYS A 30 26.941 37.254 18.902 1.00 0.00 N ATOM 508 CA LYS A 30 25.540 37.741 18.904 1.00 0.00 C ATOM 509 C LYS A 30 25.239 38.683 20.082 1.00 0.00 C ATOM 510 O LYS A 30 24.408 39.576 19.960 1.00 0.00 O ATOM 511 CB LYS A 30 24.596 36.514 18.894 1.00 0.00 C ATOM 512 CG LYS A 30 23.167 36.776 19.414 1.00 0.00 C ATOM 513 CD LYS A 30 22.278 35.535 19.277 1.00 0.00 C ATOM 514 CE LYS A 30 21.013 35.666 20.133 1.00 0.00 C ATOM 515 NZ LYS A 30 20.031 34.612 19.799 1.00 0.00 N ATOM 0 H LYS A 30 27.011 36.236 18.896 1.00 0.00 H new ATOM 0 HA LYS A 30 25.376 38.341 18.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.530 36.136 17.874 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.046 35.726 19.498 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.210 37.079 20.460 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.724 37.604 18.860 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.001 35.396 18.232 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.836 34.649 19.580 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.276 35.600 21.189 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.565 36.647 19.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.281 34.595 20.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.612 34.810 18.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.508 33.688 19.774 1.00 0.00 H new ATOM 529 N TYR A 31 25.883 38.458 21.225 1.00 0.00 N ATOM 530 CA TYR A 31 25.544 39.077 22.503 1.00 0.00 C ATOM 531 C TYR A 31 26.443 40.286 22.802 1.00 0.00 C ATOM 532 O TYR A 31 25.954 41.288 23.315 1.00 0.00 O ATOM 533 CB TYR A 31 25.627 38.027 23.625 1.00 0.00 C ATOM 534 CG TYR A 31 24.793 36.757 23.456 1.00 0.00 C ATOM 535 CD1 TYR A 31 25.127 35.805 22.468 1.00 0.00 C ATOM 536 CD2 TYR A 31 23.707 36.492 24.318 1.00 0.00 C ATOM 537 CE1 TYR A 31 24.383 34.624 22.315 1.00 0.00 C ATOM 538 CE2 TYR A 31 22.953 35.307 24.167 1.00 0.00 C ATOM 539 CZ TYR A 31 23.287 34.376 23.161 1.00 0.00 C ATOM 540 OH TYR A 31 22.553 33.243 22.998 1.00 0.00 O ATOM 0 H TYR A 31 26.678 37.822 21.289 1.00 0.00 H new ATOM 0 HA TYR A 31 24.522 39.451 22.446 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.671 37.733 23.736 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.329 38.505 24.558 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.970 35.989 21.818 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.452 37.197 25.095 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.651 33.909 21.551 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.118 35.113 24.824 1.00 0.00 H new ATOM 0 HH TYR A 31 23.125 32.531 22.644 1.00 0.00 H new ATOM 550 N GLY A 32 27.734 40.239 22.452 1.00 0.00 N ATOM 551 CA GLY A 32 28.697 41.338 22.620 1.00 0.00 C ATOM 552 C GLY A 32 30.117 40.935 22.204 1.00 0.00 C ATOM 553 O GLY A 32 30.351 39.781 21.837 1.00 0.00 O ATOM 0 H GLY A 32 28.152 39.410 22.031 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.376 42.194 22.026 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.703 41.657 23.662 1.00 0.00 H new ATOM 557 N ASN A 33 31.079 41.863 22.258 1.00 0.00 N ATOM 558 CA ASN A 33 32.474 41.558 21.913 1.00 0.00 C ATOM 559 C ASN A 33 33.188 40.809 23.060 1.00 0.00 C ATOM 560 O ASN A 33 33.840 41.400 23.918 1.00 0.00 O ATOM 561 CB ASN A 33 33.194 42.823 21.405 1.00 0.00 C ATOM 562 CG ASN A 33 32.961 43.080 19.920 1.00 0.00 C ATOM 563 OD1 ASN A 33 32.202 42.405 19.235 1.00 0.00 O ATOM 564 ND2 ASN A 33 33.663 44.024 19.343 1.00 0.00 N ATOM 0 H ASN A 33 30.918 42.831 22.537 1.00 0.00 H new ATOM 0 HA ASN A 33 32.500 40.858 21.078 1.00 0.00 H new ATOM 0 HB2 ASN A 33 32.850 43.685 21.976 1.00 0.00 H new ATOM 0 HB3 ASN A 33 34.264 42.725 21.588 1.00 0.00 H new ATOM 0 HD21 ASN A 33 33.572 44.186 18.340 1.00 0.00 H new ATOM 0 HD22 ASN A 33 34.300 44.596 19.897 1.00 0.00 H new ATOM 571 N ILE A 34 33.029 39.484 23.036 1.00 0.00 N ATOM 572 CA ILE A 34 33.616 38.482 23.942 1.00 0.00 C ATOM 573 C ILE A 34 35.141 38.611 24.094 1.00 0.00 C ATOM 574 O ILE A 34 35.860 38.795 23.110 1.00 0.00 O ATOM 575 CB ILE A 34 33.153 37.071 23.485 1.00 0.00 C ATOM 576 CG1 ILE A 34 33.732 35.900 24.310 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.328 36.812 21.973 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.095 35.328 23.887 1.00 0.00 C ATOM 0 H ILE A 34 32.441 39.044 22.328 1.00 0.00 H new ATOM 0 HA ILE A 34 33.248 38.661 24.952 1.00 0.00 H new ATOM 0 HB ILE A 34 32.083 37.095 23.691 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.814 36.229 25.346 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.007 35.086 24.290 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.982 35.806 21.734 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.745 37.540 21.409 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.381 36.907 21.707 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.372 34.514 24.557 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.031 34.952 22.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 35.850 36.112 23.938 1.00 0.00 H new ATOM 590 N LEU A 35 35.643 38.473 25.333 1.00 0.00 N ATOM 591 CA LEU A 35 37.060 38.708 25.677 1.00 0.00 C ATOM 592 C LEU A 35 37.867 37.450 26.082 1.00 0.00 C ATOM 593 O LEU A 35 39.071 37.400 25.820 1.00 0.00 O ATOM 594 CB LEU A 35 37.132 39.791 26.770 1.00 0.00 C ATOM 595 CG LEU A 35 36.530 41.161 26.397 1.00 0.00 C ATOM 596 CD1 LEU A 35 36.653 42.107 27.592 1.00 0.00 C ATOM 597 CD2 LEU A 35 37.240 41.810 25.206 1.00 0.00 C ATOM 0 H LEU A 35 35.074 38.193 26.132 1.00 0.00 H new ATOM 0 HA LEU A 35 37.546 39.041 24.760 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.620 39.420 27.658 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.177 39.937 27.043 1.00 0.00 H new ATOM 0 HG LEU A 35 35.489 40.989 26.124 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.229 43.077 27.333 1.00 0.00 H new ATOM 0 HD12 LEU A 35 36.114 41.690 28.443 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.704 42.229 27.853 1.00 0.00 H new ATOM 0 HD21 LEU A 35 36.776 42.772 24.986 1.00 0.00 H new ATOM 0 HD22 LEU A 35 38.292 41.961 25.448 1.00 0.00 H new ATOM 0 HD23 LEU A 35 37.158 41.160 24.335 1.00 0.00 H new ATOM 609 N LYS A 36 37.215 36.436 26.671 1.00 0.00 N ATOM 610 CA LYS A 36 37.749 35.125 27.120 1.00 0.00 C ATOM 611 C LYS A 36 36.616 34.089 27.114 1.00 0.00 C ATOM 612 O LYS A 36 35.465 34.444 27.360 1.00 0.00 O ATOM 613 CB LYS A 36 38.329 35.224 28.556 1.00 0.00 C ATOM 614 CG LYS A 36 39.805 35.652 28.688 1.00 0.00 C ATOM 615 CD LYS A 36 40.806 34.493 28.516 1.00 0.00 C ATOM 616 CE LYS A 36 40.817 33.538 29.726 1.00 0.00 C ATOM 617 NZ LYS A 36 41.768 33.974 30.782 1.00 0.00 N ATOM 0 H LYS A 36 36.216 36.510 26.865 1.00 0.00 H new ATOM 0 HA LYS A 36 38.546 34.826 26.439 1.00 0.00 H new ATOM 0 HB2 LYS A 36 37.720 35.931 29.119 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.214 34.252 29.035 1.00 0.00 H new ATOM 0 HG2 LYS A 36 40.019 36.419 27.943 1.00 0.00 H new ATOM 0 HG3 LYS A 36 39.955 36.108 29.667 1.00 0.00 H new ATOM 0 HD2 LYS A 36 40.555 33.931 27.616 1.00 0.00 H new ATOM 0 HD3 LYS A 36 41.806 34.900 28.369 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.813 33.477 30.147 1.00 0.00 H new ATOM 0 HE3 LYS A 36 41.084 32.535 29.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.370 33.759 31.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 42.671 33.471 30.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.930 34.998 30.702 1.00 0.00 H new ATOM 631 N CYS A 37 36.928 32.814 26.895 1.00 0.00 N ATOM 632 CA CYS A 37 35.990 31.681 26.947 1.00 0.00 C ATOM 633 C CYS A 37 36.716 30.357 27.269 1.00 0.00 C ATOM 634 O CYS A 37 37.552 29.899 26.487 1.00 0.00 O ATOM 635 CB CYS A 37 35.209 31.598 25.619 1.00 0.00 C ATOM 636 SG CYS A 37 36.303 31.664 24.162 1.00 0.00 S ATOM 0 H CYS A 37 37.879 32.524 26.667 1.00 0.00 H new ATOM 0 HA CYS A 37 35.281 31.848 27.758 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.634 30.672 25.596 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.493 32.419 25.570 1.00 0.00 H new ATOM 0 HG CYS A 37 35.906 30.794 23.281 1.00 0.00 H new ATOM 642 N ASP A 38 36.417 29.708 28.404 1.00 0.00 N ATOM 643 CA ASP A 38 37.074 28.445 28.802 1.00 0.00 C ATOM 644 C ASP A 38 36.162 27.493 29.601 1.00 0.00 C ATOM 645 O ASP A 38 35.425 27.918 30.496 1.00 0.00 O ATOM 646 CB ASP A 38 38.372 28.663 29.611 1.00 0.00 C ATOM 647 CG ASP A 38 39.359 29.701 29.055 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.091 30.920 29.186 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.424 29.312 28.529 1.00 0.00 O ATOM 0 H ASP A 38 35.719 30.037 29.071 1.00 0.00 H new ATOM 0 HA ASP A 38 37.316 27.978 27.847 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.098 28.961 30.623 1.00 0.00 H new ATOM 0 HB3 ASP A 38 38.890 27.707 29.689 1.00 0.00 H new ATOM 654 N VAL A 39 36.283 26.196 29.295 1.00 0.00 N ATOM 655 CA VAL A 39 35.663 25.052 29.995 1.00 0.00 C ATOM 656 C VAL A 39 36.505 24.624 31.214 1.00 0.00 C ATOM 657 O VAL A 39 37.717 24.846 31.244 1.00 0.00 O ATOM 658 CB VAL A 39 35.474 23.866 29.015 1.00 0.00 C ATOM 659 CG1 VAL A 39 34.800 22.637 29.643 1.00 0.00 C ATOM 660 CG2 VAL A 39 34.624 24.259 27.799 1.00 0.00 C ATOM 0 H VAL A 39 36.851 25.893 28.504 1.00 0.00 H new ATOM 0 HA VAL A 39 34.685 25.363 30.361 1.00 0.00 H new ATOM 0 HB VAL A 39 36.492 23.608 28.724 1.00 0.00 H new ATOM 0 HG11 VAL A 39 34.704 21.852 28.893 1.00 0.00 H new ATOM 0 HG12 VAL A 39 35.406 22.274 30.473 1.00 0.00 H new ATOM 0 HG13 VAL A 39 33.811 22.912 30.009 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.516 23.399 27.138 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.639 24.585 28.134 1.00 0.00 H new ATOM 0 HG23 VAL A 39 35.112 25.072 27.261 1.00 0.00 H new ATOM 670 N LYS A 40 35.873 24.007 32.221 1.00 0.00 N ATOM 671 CA LYS A 40 36.476 23.380 33.411 1.00 0.00 C ATOM 672 C LYS A 40 35.711 22.096 33.779 1.00 0.00 C ATOM 673 O LYS A 40 34.530 21.964 33.449 1.00 0.00 O ATOM 674 CB LYS A 40 36.472 24.336 34.628 1.00 0.00 C ATOM 675 CG LYS A 40 37.136 25.717 34.448 1.00 0.00 C ATOM 676 CD LYS A 40 36.161 26.779 33.914 1.00 0.00 C ATOM 677 CE LYS A 40 36.828 28.148 33.742 1.00 0.00 C ATOM 678 NZ LYS A 40 36.938 28.888 35.024 1.00 0.00 N ATOM 0 H LYS A 40 34.856 23.926 32.229 1.00 0.00 H new ATOM 0 HA LYS A 40 37.510 23.142 33.163 1.00 0.00 H new ATOM 0 HB2 LYS A 40 35.436 24.497 34.927 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.968 23.829 35.456 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.540 26.049 35.404 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.978 25.624 33.761 1.00 0.00 H new ATOM 0 HD2 LYS A 40 35.759 26.450 32.956 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.318 26.872 34.599 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.822 28.014 33.316 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.254 28.742 33.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 37.001 29.908 34.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 36.099 28.697 35.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 37.791 28.578 35.532 1.00 0.00 H new ATOM 692 N LYS A 41 36.349 21.197 34.541 1.00 0.00 N ATOM 693 CA LYS A 41 35.702 20.059 35.229 1.00 0.00 C ATOM 694 C LYS A 41 36.137 19.971 36.698 1.00 0.00 C ATOM 695 O LYS A 41 37.275 20.329 37.005 1.00 0.00 O ATOM 696 CB LYS A 41 35.882 18.739 34.442 1.00 0.00 C ATOM 697 CG LYS A 41 37.231 17.993 34.571 1.00 0.00 C ATOM 698 CD LYS A 41 38.451 18.557 33.816 1.00 0.00 C ATOM 699 CE LYS A 41 38.290 18.464 32.290 1.00 0.00 C ATOM 700 NZ LYS A 41 39.573 18.654 31.561 1.00 0.00 N ATOM 0 H LYS A 41 37.355 21.238 34.703 1.00 0.00 H new ATOM 0 HA LYS A 41 34.627 20.240 35.250 1.00 0.00 H new ATOM 0 HB2 LYS A 41 35.092 18.055 34.752 1.00 0.00 H new ATOM 0 HB3 LYS A 41 35.720 18.955 33.386 1.00 0.00 H new ATOM 0 HG2 LYS A 41 37.486 17.948 35.630 1.00 0.00 H new ATOM 0 HG3 LYS A 41 37.077 16.967 34.236 1.00 0.00 H new ATOM 0 HD2 LYS A 41 38.601 19.599 34.100 1.00 0.00 H new ATOM 0 HD3 LYS A 41 39.346 18.012 34.118 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.872 17.491 32.032 1.00 0.00 H new ATOM 0 HE3 LYS A 41 37.574 19.216 31.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 39.405 18.581 30.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 39.962 19.593 31.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 40.250 17.921 31.853 1.00 0.00 H new ATOM 714 N THR A 42 35.255 19.535 37.600 1.00 0.00 N ATOM 715 CA THR A 42 35.556 19.330 39.039 1.00 0.00 C ATOM 716 C THR A 42 35.814 17.859 39.373 1.00 0.00 C ATOM 717 O THR A 42 35.481 16.977 38.584 1.00 0.00 O ATOM 718 CB THR A 42 34.430 19.870 39.941 1.00 0.00 C ATOM 719 OG1 THR A 42 33.238 19.142 39.763 1.00 0.00 O ATOM 720 CG2 THR A 42 34.143 21.351 39.695 1.00 0.00 C ATOM 0 H THR A 42 34.291 19.307 37.357 1.00 0.00 H new ATOM 0 HA THR A 42 36.468 19.893 39.236 1.00 0.00 H new ATOM 0 HB THR A 42 34.786 19.751 40.964 1.00 0.00 H new ATOM 0 HG1 THR A 42 32.542 19.506 40.349 1.00 0.00 H new ATOM 0 HG21 THR A 42 33.342 21.681 40.356 1.00 0.00 H new ATOM 0 HG22 THR A 42 35.042 21.934 39.895 1.00 0.00 H new ATOM 0 HG23 THR A 42 33.840 21.496 38.658 1.00 0.00 H new ATOM 728 N VAL A 43 36.360 17.559 40.561 1.00 0.00 N ATOM 729 CA VAL A 43 36.688 16.172 40.982 1.00 0.00 C ATOM 730 C VAL A 43 35.475 15.242 41.160 1.00 0.00 C ATOM 731 O VAL A 43 35.635 14.024 41.204 1.00 0.00 O ATOM 732 CB VAL A 43 37.548 16.152 42.264 1.00 0.00 C ATOM 733 CG1 VAL A 43 38.844 16.948 42.073 1.00 0.00 C ATOM 734 CG2 VAL A 43 36.809 16.684 43.502 1.00 0.00 C ATOM 0 H VAL A 43 36.590 18.264 41.262 1.00 0.00 H new ATOM 0 HA VAL A 43 37.259 15.773 40.144 1.00 0.00 H new ATOM 0 HB VAL A 43 37.778 15.102 42.443 1.00 0.00 H new ATOM 0 HG11 VAL A 43 39.429 16.916 42.992 1.00 0.00 H new ATOM 0 HG12 VAL A 43 39.423 16.511 41.259 1.00 0.00 H new ATOM 0 HG13 VAL A 43 38.603 17.983 41.832 1.00 0.00 H new ATOM 0 HG21 VAL A 43 37.471 16.642 44.367 1.00 0.00 H new ATOM 0 HG22 VAL A 43 36.504 17.716 43.328 1.00 0.00 H new ATOM 0 HG23 VAL A 43 35.927 16.072 43.690 1.00 0.00 H new ATOM 744 N SER A 44 34.258 15.792 41.241 1.00 0.00 N ATOM 745 CA SER A 44 33.001 15.022 41.183 1.00 0.00 C ATOM 746 C SER A 44 32.603 14.653 39.739 1.00 0.00 C ATOM 747 O SER A 44 31.881 13.683 39.509 1.00 0.00 O ATOM 748 CB SER A 44 31.902 15.831 41.885 1.00 0.00 C ATOM 749 OG SER A 44 30.703 15.096 42.016 1.00 0.00 O ATOM 0 H SER A 44 34.112 16.796 41.350 1.00 0.00 H new ATOM 0 HA SER A 44 33.144 14.072 41.698 1.00 0.00 H new ATOM 0 HB2 SER A 44 32.250 16.135 42.872 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.708 16.743 41.321 1.00 0.00 H new ATOM 0 HG SER A 44 30.030 15.646 42.469 1.00 0.00 H new ATOM 755 N GLY A 45 33.126 15.387 38.751 1.00 0.00 N ATOM 756 CA GLY A 45 32.909 15.183 37.315 1.00 0.00 C ATOM 757 C GLY A 45 32.014 16.220 36.633 1.00 0.00 C ATOM 758 O GLY A 45 31.835 16.159 35.417 1.00 0.00 O ATOM 0 H GLY A 45 33.742 16.178 38.940 1.00 0.00 H new ATOM 0 HA2 GLY A 45 33.878 15.179 36.815 1.00 0.00 H new ATOM 0 HA3 GLY A 45 32.470 14.196 37.168 1.00 0.00 H new ATOM 762 N ALA A 46 31.437 17.164 37.379 1.00 0.00 N ATOM 763 CA ALA A 46 30.572 18.193 36.809 1.00 0.00 C ATOM 764 C ALA A 46 31.361 19.153 35.893 1.00 0.00 C ATOM 765 O ALA A 46 32.459 19.602 36.240 1.00 0.00 O ATOM 766 CB ALA A 46 29.834 18.910 37.946 1.00 0.00 C ATOM 0 H ALA A 46 31.557 17.235 38.389 1.00 0.00 H new ATOM 0 HA ALA A 46 29.825 17.731 36.163 1.00 0.00 H new ATOM 0 HB1 ALA A 46 29.185 19.681 37.530 1.00 0.00 H new ATOM 0 HB2 ALA A 46 29.232 18.190 38.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 30.559 19.370 38.617 1.00 0.00 H new ATOM 772 N ALA A 47 30.793 19.441 34.718 1.00 0.00 N ATOM 773 CA ALA A 47 31.381 20.288 33.682 1.00 0.00 C ATOM 774 C ALA A 47 30.757 21.694 33.658 1.00 0.00 C ATOM 775 O ALA A 47 29.534 21.854 33.750 1.00 0.00 O ATOM 776 CB ALA A 47 31.246 19.583 32.328 1.00 0.00 C ATOM 0 H ALA A 47 29.878 19.076 34.455 1.00 0.00 H new ATOM 0 HA ALA A 47 32.437 20.436 33.906 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.682 20.207 31.548 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.768 18.627 32.362 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.192 19.413 32.110 1.00 0.00 H new ATOM 782 N PHE A 48 31.612 22.705 33.489 1.00 0.00 N ATOM 783 CA PHE A 48 31.270 24.126 33.567 1.00 0.00 C ATOM 784 C PHE A 48 32.059 24.939 32.539 1.00 0.00 C ATOM 785 O PHE A 48 33.156 24.545 32.146 1.00 0.00 O ATOM 786 CB PHE A 48 31.577 24.657 34.975 1.00 0.00 C ATOM 787 CG PHE A 48 30.916 23.891 36.103 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.588 24.177 36.455 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.621 22.887 36.794 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.966 23.483 37.505 1.00 0.00 C ATOM 791 CE2 PHE A 48 30.999 22.193 37.845 1.00 0.00 C ATOM 792 CZ PHE A 48 29.677 22.495 38.205 1.00 0.00 C ATOM 0 H PHE A 48 32.600 22.550 33.286 1.00 0.00 H new ATOM 0 HA PHE A 48 30.206 24.231 33.352 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.656 24.640 35.127 1.00 0.00 H new ATOM 0 HB3 PHE A 48 31.264 25.700 35.031 1.00 0.00 H new ATOM 0 HD1 PHE A 48 29.041 24.936 35.915 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.638 22.651 36.517 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.944 23.708 37.773 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.540 21.425 38.377 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.206 21.967 39.021 1.00 0.00 H new ATOM 802 N ALA A 49 31.557 26.105 32.135 1.00 0.00 N ATOM 803 CA ALA A 49 32.293 27.053 31.306 1.00 0.00 C ATOM 804 C ALA A 49 31.926 28.501 31.645 1.00 0.00 C ATOM 805 O ALA A 49 30.849 28.788 32.171 1.00 0.00 O ATOM 806 CB ALA A 49 32.084 26.727 29.821 1.00 0.00 C ATOM 0 H ALA A 49 30.618 26.420 32.378 1.00 0.00 H new ATOM 0 HA ALA A 49 33.357 26.953 31.521 1.00 0.00 H new ATOM 0 HB1 ALA A 49 32.638 27.440 29.210 1.00 0.00 H new ATOM 0 HB2 ALA A 49 32.443 25.718 29.616 1.00 0.00 H new ATOM 0 HB3 ALA A 49 31.023 26.790 29.580 1.00 0.00 H new ATOM 812 N PHE A 50 32.843 29.420 31.345 1.00 0.00 N ATOM 813 CA PHE A 50 32.694 30.846 31.632 1.00 0.00 C ATOM 814 C PHE A 50 33.188 31.684 30.454 1.00 0.00 C ATOM 815 O PHE A 50 34.237 31.376 29.876 1.00 0.00 O ATOM 816 CB PHE A 50 33.456 31.215 32.907 1.00 0.00 C ATOM 817 CG PHE A 50 33.003 30.513 34.174 1.00 0.00 C ATOM 818 CD1 PHE A 50 33.529 29.252 34.507 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.100 31.145 35.045 1.00 0.00 C ATOM 820 CE1 PHE A 50 33.221 28.661 35.745 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.798 30.559 36.287 1.00 0.00 C ATOM 822 CZ PHE A 50 32.378 29.331 36.644 1.00 0.00 C ATOM 0 H PHE A 50 33.725 29.190 30.888 1.00 0.00 H new ATOM 0 HA PHE A 50 31.636 31.059 31.786 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.513 30.998 32.752 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.371 32.291 33.060 1.00 0.00 H new ATOM 0 HD1 PHE A 50 34.172 28.736 33.809 1.00 0.00 H new ATOM 0 HD2 PHE A 50 31.639 32.079 34.761 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.631 27.696 36.003 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.120 31.054 36.967 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.174 28.901 37.614 1.00 0.00 H new ATOM 832 N ILE A 51 32.440 32.738 30.115 1.00 0.00 N ATOM 833 CA ILE A 51 32.637 33.558 28.919 1.00 0.00 C ATOM 834 C ILE A 51 32.553 35.044 29.286 1.00 0.00 C ATOM 835 O ILE A 51 31.537 35.506 29.795 1.00 0.00 O ATOM 836 CB ILE A 51 31.625 33.177 27.811 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.685 31.675 27.426 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.918 34.017 26.559 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.647 30.813 28.163 1.00 0.00 C ATOM 0 H ILE A 51 31.655 33.053 30.685 1.00 0.00 H new ATOM 0 HA ILE A 51 33.632 33.366 28.517 1.00 0.00 H new ATOM 0 HB ILE A 51 30.628 33.375 28.204 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.531 31.577 26.351 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.683 31.292 27.641 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.210 33.756 25.772 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.819 35.075 26.800 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.933 33.816 26.215 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.745 29.775 27.846 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.814 30.882 29.238 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.644 31.171 27.928 1.00 0.00 H new ATOM 851 N GLU A 52 33.626 35.788 29.050 1.00 0.00 N ATOM 852 CA GLU A 52 33.822 37.182 29.475 1.00 0.00 C ATOM 853 C GLU A 52 33.119 38.178 28.534 1.00 0.00 C ATOM 854 O GLU A 52 33.217 38.052 27.310 1.00 0.00 O ATOM 855 CB GLU A 52 35.333 37.395 29.588 1.00 0.00 C ATOM 856 CG GLU A 52 35.791 38.579 30.439 1.00 0.00 C ATOM 857 CD GLU A 52 37.317 38.501 30.622 1.00 0.00 C ATOM 858 OE1 GLU A 52 38.045 38.467 29.601 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.800 38.405 31.774 1.00 0.00 O ATOM 0 H GLU A 52 34.426 35.425 28.532 1.00 0.00 H new ATOM 0 HA GLU A 52 33.356 37.372 30.442 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.776 36.488 29.999 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.736 37.520 28.583 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.517 39.518 29.958 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.294 38.561 31.409 1.00 0.00 H new ATOM 866 N PHE A 53 32.371 39.126 29.108 1.00 0.00 N ATOM 867 CA PHE A 53 31.245 39.836 28.480 1.00 0.00 C ATOM 868 C PHE A 53 31.304 41.358 28.678 1.00 0.00 C ATOM 869 O PHE A 53 31.889 41.842 29.645 1.00 0.00 O ATOM 870 CB PHE A 53 29.919 39.281 29.042 1.00 0.00 C ATOM 871 CG PHE A 53 29.145 38.405 28.081 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.739 37.254 27.526 1.00 0.00 C ATOM 873 CD2 PHE A 53 27.822 38.738 27.739 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.020 36.452 26.623 1.00 0.00 C ATOM 875 CE2 PHE A 53 27.101 37.924 26.853 1.00 0.00 C ATOM 876 CZ PHE A 53 27.704 36.794 26.283 1.00 0.00 C ATOM 0 H PHE A 53 32.539 39.435 30.065 1.00 0.00 H new ATOM 0 HA PHE A 53 31.310 39.662 27.406 1.00 0.00 H new ATOM 0 HB2 PHE A 53 30.134 38.707 29.944 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.287 40.118 29.340 1.00 0.00 H new ATOM 0 HD1 PHE A 53 30.750 36.987 27.795 1.00 0.00 H new ATOM 0 HD2 PHE A 53 27.361 39.620 28.158 1.00 0.00 H new ATOM 0 HE1 PHE A 53 29.480 35.575 26.192 1.00 0.00 H new ATOM 0 HE2 PHE A 53 26.078 38.169 26.609 1.00 0.00 H new ATOM 0 HZ PHE A 53 27.153 36.186 25.581 1.00 0.00 H new ATOM 886 N GLU A 54 30.663 42.104 27.771 1.00 0.00 N ATOM 887 CA GLU A 54 31.072 43.479 27.443 1.00 0.00 C ATOM 888 C GLU A 54 29.984 44.571 27.606 1.00 0.00 C ATOM 889 O GLU A 54 30.230 45.575 28.275 1.00 0.00 O ATOM 890 CB GLU A 54 31.684 43.406 26.030 1.00 0.00 C ATOM 891 CG GLU A 54 32.129 44.744 25.435 1.00 0.00 C ATOM 892 CD GLU A 54 31.090 45.322 24.472 1.00 0.00 C ATOM 893 OE1 GLU A 54 30.785 44.677 23.440 1.00 0.00 O ATOM 894 OE2 GLU A 54 30.641 46.474 24.706 1.00 0.00 O ATOM 0 H GLU A 54 29.852 41.777 27.246 1.00 0.00 H new ATOM 0 HA GLU A 54 31.799 43.825 28.177 1.00 0.00 H new ATOM 0 HB2 GLU A 54 32.544 42.737 26.060 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.953 42.955 25.359 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.311 45.455 26.241 1.00 0.00 H new ATOM 0 HG3 GLU A 54 33.074 44.610 24.909 1.00 0.00 H new ATOM 901 N ASP A 55 28.779 44.421 27.042 1.00 0.00 N ATOM 902 CA ASP A 55 27.688 45.414 27.123 1.00 0.00 C ATOM 903 C ASP A 55 26.420 44.818 27.756 1.00 0.00 C ATOM 904 O ASP A 55 25.448 44.480 27.078 1.00 0.00 O ATOM 905 CB ASP A 55 27.407 46.059 25.752 1.00 0.00 C ATOM 906 CG ASP A 55 27.207 45.102 24.574 1.00 0.00 C ATOM 907 OD1 ASP A 55 27.305 43.860 24.700 1.00 0.00 O ATOM 908 OD2 ASP A 55 26.866 45.588 23.468 1.00 0.00 O ATOM 0 H ASP A 55 28.525 43.592 26.505 1.00 0.00 H new ATOM 0 HA ASP A 55 28.022 46.212 27.786 1.00 0.00 H new ATOM 0 HB2 ASP A 55 26.515 46.679 25.843 1.00 0.00 H new ATOM 0 HB3 ASP A 55 28.235 46.726 25.513 1.00 0.00 H new ATOM 913 N ALA A 56 26.416 44.702 29.086 1.00 0.00 N ATOM 914 CA ALA A 56 25.464 43.889 29.848 1.00 0.00 C ATOM 915 C ALA A 56 23.983 44.167 29.523 1.00 0.00 C ATOM 916 O ALA A 56 23.198 43.233 29.381 1.00 0.00 O ATOM 917 CB ALA A 56 25.749 44.117 31.339 1.00 0.00 C ATOM 0 H ALA A 56 27.092 45.183 29.679 1.00 0.00 H new ATOM 0 HA ALA A 56 25.612 42.847 29.564 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.056 43.525 31.937 1.00 0.00 H new ATOM 0 HB2 ALA A 56 26.772 43.815 31.564 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.622 45.173 31.576 1.00 0.00 H new ATOM 923 N ARG A 57 23.607 45.442 29.370 1.00 0.00 N ATOM 924 CA ARG A 57 22.216 45.886 29.137 1.00 0.00 C ATOM 925 C ARG A 57 21.704 45.579 27.721 1.00 0.00 C ATOM 926 O ARG A 57 20.503 45.427 27.514 1.00 0.00 O ATOM 927 CB ARG A 57 22.061 47.391 29.440 1.00 0.00 C ATOM 928 CG ARG A 57 22.604 47.849 30.811 1.00 0.00 C ATOM 929 CD ARG A 57 24.124 48.125 30.806 1.00 0.00 C ATOM 930 NE ARG A 57 24.459 49.528 31.104 1.00 0.00 N ATOM 931 CZ ARG A 57 24.278 50.583 30.335 1.00 0.00 C ATOM 932 NH1 ARG A 57 23.681 50.514 29.183 1.00 0.00 N ATOM 933 NH2 ARG A 57 24.692 51.746 30.722 1.00 0.00 N ATOM 0 H ARG A 57 24.271 46.215 29.404 1.00 0.00 H new ATOM 0 HA ARG A 57 21.600 45.309 29.826 1.00 0.00 H new ATOM 0 HB2 ARG A 57 22.570 47.956 28.659 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.004 47.649 29.382 1.00 0.00 H new ATOM 0 HG2 ARG A 57 22.079 48.753 31.118 1.00 0.00 H new ATOM 0 HG3 ARG A 57 22.383 47.084 31.555 1.00 0.00 H new ATOM 0 HD2 ARG A 57 24.607 47.479 31.540 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.532 47.860 29.831 1.00 0.00 H new ATOM 0 HE ARG A 57 24.882 49.704 32.015 1.00 0.00 H new ATOM 0 HH11 ARG A 57 23.332 49.618 28.843 1.00 0.00 H new ATOM 0 HH12 ARG A 57 23.562 51.356 28.619 1.00 0.00 H new ATOM 0 HH21 ARG A 57 25.159 51.847 31.623 1.00 0.00 H new ATOM 0 HH22 ARG A 57 24.551 52.562 30.126 1.00 0.00 H new ATOM 947 N ASP A 58 22.605 45.493 26.747 1.00 0.00 N ATOM 948 CA ASP A 58 22.317 45.067 25.369 1.00 0.00 C ATOM 949 C ASP A 58 22.336 43.531 25.287 1.00 0.00 C ATOM 950 O ASP A 58 21.346 42.913 24.891 1.00 0.00 O ATOM 951 CB ASP A 58 23.327 45.789 24.456 1.00 0.00 C ATOM 952 CG ASP A 58 23.445 45.268 23.020 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.771 44.077 22.841 1.00 0.00 O ATOM 954 OD2 ASP A 58 23.440 46.105 22.091 1.00 0.00 O ATOM 0 H ASP A 58 23.588 45.724 26.893 1.00 0.00 H new ATOM 0 HA ASP A 58 21.318 45.345 25.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.056 46.844 24.415 1.00 0.00 H new ATOM 0 HB3 ASP A 58 24.311 45.730 24.922 1.00 0.00 H new ATOM 959 N ALA A 59 23.393 42.906 25.814 1.00 0.00 N ATOM 960 CA ALA A 59 23.550 41.454 25.885 1.00 0.00 C ATOM 961 C ALA A 59 22.389 40.748 26.619 1.00 0.00 C ATOM 962 O ALA A 59 22.015 39.633 26.250 1.00 0.00 O ATOM 963 CB ALA A 59 24.890 41.174 26.572 1.00 0.00 C ATOM 0 H ALA A 59 24.184 43.412 26.213 1.00 0.00 H new ATOM 0 HA ALA A 59 23.532 41.046 24.874 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.044 40.097 26.644 1.00 0.00 H new ATOM 0 HB2 ALA A 59 25.697 41.618 25.989 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.884 41.607 27.572 1.00 0.00 H new ATOM 969 N ALA A 60 21.782 41.401 27.619 1.00 0.00 N ATOM 970 CA ALA A 60 20.593 40.924 28.323 1.00 0.00 C ATOM 971 C ALA A 60 19.403 40.638 27.387 1.00 0.00 C ATOM 972 O ALA A 60 18.666 39.684 27.624 1.00 0.00 O ATOM 973 CB ALA A 60 20.201 41.960 29.385 1.00 0.00 C ATOM 0 H ALA A 60 22.117 42.300 27.967 1.00 0.00 H new ATOM 0 HA ALA A 60 20.844 39.970 28.787 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.315 41.617 29.918 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.022 42.087 30.090 1.00 0.00 H new ATOM 0 HB3 ALA A 60 19.987 42.913 28.902 1.00 0.00 H new ATOM 979 N ASP A 61 19.237 41.388 26.293 1.00 0.00 N ATOM 980 CA ASP A 61 18.128 41.197 25.348 1.00 0.00 C ATOM 981 C ASP A 61 18.265 39.898 24.538 1.00 0.00 C ATOM 982 O ASP A 61 17.266 39.251 24.211 1.00 0.00 O ATOM 983 CB ASP A 61 18.019 42.404 24.410 1.00 0.00 C ATOM 984 CG ASP A 61 17.822 43.729 25.146 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.280 43.769 26.274 1.00 0.00 O ATOM 986 OD2 ASP A 61 18.183 44.804 24.621 1.00 0.00 O ATOM 0 H ASP A 61 19.868 42.147 26.036 1.00 0.00 H new ATOM 0 HA ASP A 61 17.214 41.111 25.935 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.922 42.465 23.802 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.184 42.249 23.726 1.00 0.00 H new ATOM 991 N ALA A 62 19.505 39.483 24.267 1.00 0.00 N ATOM 992 CA ALA A 62 19.829 38.169 23.716 1.00 0.00 C ATOM 993 C ALA A 62 19.824 37.058 24.791 1.00 0.00 C ATOM 994 O ALA A 62 19.665 35.887 24.452 1.00 0.00 O ATOM 995 CB ALA A 62 21.180 38.286 23.002 1.00 0.00 C ATOM 0 H ALA A 62 20.327 40.065 24.429 1.00 0.00 H new ATOM 0 HA ALA A 62 19.060 37.868 23.005 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.452 37.320 22.578 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.107 39.025 22.204 1.00 0.00 H new ATOM 0 HB3 ALA A 62 21.943 38.597 23.716 1.00 0.00 H new ATOM 1001 N ILE A 63 19.965 37.393 26.081 1.00 0.00 N ATOM 1002 CA ILE A 63 19.926 36.429 27.198 1.00 0.00 C ATOM 1003 C ILE A 63 18.491 36.075 27.632 1.00 0.00 C ATOM 1004 O ILE A 63 18.209 34.901 27.871 1.00 0.00 O ATOM 1005 CB ILE A 63 20.831 36.925 28.362 1.00 0.00 C ATOM 1006 CG1 ILE A 63 22.032 35.980 28.572 1.00 0.00 C ATOM 1007 CG2 ILE A 63 20.112 37.213 29.695 1.00 0.00 C ATOM 1008 CD1 ILE A 63 21.691 34.582 29.115 1.00 0.00 C ATOM 0 H ILE A 63 20.112 38.355 26.386 1.00 0.00 H new ATOM 0 HA ILE A 63 20.339 35.482 26.849 1.00 0.00 H new ATOM 0 HB ILE A 63 21.184 37.901 28.031 1.00 0.00 H new ATOM 0 HG12 ILE A 63 22.551 35.864 27.620 1.00 0.00 H new ATOM 0 HG13 ILE A 63 22.731 36.457 29.260 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.838 37.552 30.434 1.00 0.00 H new ATOM 0 HG22 ILE A 63 19.360 37.987 29.543 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.629 36.303 30.052 1.00 0.00 H new ATOM 0 HD11 ILE A 63 22.607 34.001 29.225 1.00 0.00 H new ATOM 0 HD12 ILE A 63 21.203 34.677 30.085 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.021 34.075 28.420 1.00 0.00 H new ATOM 1020 N LYS A 64 17.560 37.039 27.693 1.00 0.00 N ATOM 1021 CA LYS A 64 16.184 36.820 28.200 1.00 0.00 C ATOM 1022 C LYS A 64 15.366 35.819 27.379 1.00 0.00 C ATOM 1023 O LYS A 64 14.488 35.146 27.909 1.00 0.00 O ATOM 1024 CB LYS A 64 15.458 38.166 28.410 1.00 0.00 C ATOM 1025 CG LYS A 64 15.357 39.135 27.217 1.00 0.00 C ATOM 1026 CD LYS A 64 14.301 38.795 26.151 1.00 0.00 C ATOM 1027 CE LYS A 64 14.201 39.911 25.103 1.00 0.00 C ATOM 1028 NZ LYS A 64 13.402 41.057 25.593 1.00 0.00 N ATOM 0 H LYS A 64 17.734 37.998 27.393 1.00 0.00 H new ATOM 0 HA LYS A 64 16.284 36.340 29.173 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.445 37.948 28.748 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.959 38.691 29.223 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.145 40.132 27.603 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.331 39.182 26.731 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.560 37.855 25.663 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.331 38.650 26.627 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.202 40.252 24.839 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.749 39.516 24.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.358 41.790 24.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.439 40.737 25.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.847 41.451 26.447 1.00 0.00 H new ATOM 1042 N GLU A 65 15.694 35.655 26.101 1.00 0.00 N ATOM 1043 CA GLU A 65 15.104 34.635 25.224 1.00 0.00 C ATOM 1044 C GLU A 65 15.674 33.227 25.476 1.00 0.00 C ATOM 1045 O GLU A 65 15.042 32.241 25.107 1.00 0.00 O ATOM 1046 CB GLU A 65 15.294 35.054 23.755 1.00 0.00 C ATOM 1047 CG GLU A 65 16.767 35.292 23.394 1.00 0.00 C ATOM 1048 CD GLU A 65 16.995 35.387 21.887 1.00 0.00 C ATOM 1049 OE1 GLU A 65 16.376 36.282 21.267 1.00 0.00 O ATOM 1050 OE2 GLU A 65 17.799 34.583 21.360 1.00 0.00 O ATOM 0 H GLU A 65 16.390 36.235 25.632 1.00 0.00 H new ATOM 0 HA GLU A 65 14.040 34.573 25.454 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.885 34.281 23.105 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.726 35.964 23.564 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.109 36.212 23.868 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.372 34.481 23.799 1.00 0.00 H new ATOM 1057 N LYS A 66 16.867 33.107 26.080 1.00 0.00 N ATOM 1058 CA LYS A 66 17.544 31.831 26.372 1.00 0.00 C ATOM 1059 C LYS A 66 17.303 31.313 27.795 1.00 0.00 C ATOM 1060 O LYS A 66 17.678 30.175 28.072 1.00 0.00 O ATOM 1061 CB LYS A 66 19.062 31.966 26.116 1.00 0.00 C ATOM 1062 CG LYS A 66 19.517 32.344 24.691 1.00 0.00 C ATOM 1063 CD LYS A 66 19.072 31.387 23.574 1.00 0.00 C ATOM 1064 CE LYS A 66 17.684 31.752 23.023 1.00 0.00 C ATOM 1065 NZ LYS A 66 17.107 30.674 22.188 1.00 0.00 N ATOM 0 H LYS A 66 17.404 33.918 26.388 1.00 0.00 H new ATOM 0 HA LYS A 66 17.107 31.095 25.697 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.453 32.716 26.803 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.532 31.018 26.378 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.141 33.341 24.462 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.605 32.404 24.681 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.801 31.411 22.764 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.053 30.367 23.957 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.011 31.964 23.853 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.759 32.665 22.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.172 30.967 21.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.734 30.488 21.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.009 29.809 22.757 1.00 0.00 H new ATOM 1079 N ASP A 67 16.717 32.124 28.683 1.00 0.00 N ATOM 1080 CA ASP A 67 16.567 31.797 30.109 1.00 0.00 C ATOM 1081 C ASP A 67 15.666 30.573 30.387 1.00 0.00 C ATOM 1082 O ASP A 67 15.066 29.977 29.487 1.00 0.00 O ATOM 1083 CB ASP A 67 16.198 33.052 30.938 1.00 0.00 C ATOM 1084 CG ASP A 67 14.712 33.436 31.065 1.00 0.00 C ATOM 1085 OD1 ASP A 67 13.813 32.660 30.673 1.00 0.00 O ATOM 1086 OD2 ASP A 67 14.438 34.528 31.610 1.00 0.00 O ATOM 0 H ASP A 67 16.330 33.034 28.432 1.00 0.00 H new ATOM 0 HA ASP A 67 17.547 31.469 30.456 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.592 32.912 31.945 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.725 33.902 30.505 1.00 0.00 H new ATOM 1091 N GLY A 68 15.603 30.177 31.660 1.00 0.00 N ATOM 1092 CA GLY A 68 15.020 28.907 32.084 1.00 0.00 C ATOM 1093 C GLY A 68 16.083 27.821 32.098 1.00 0.00 C ATOM 1094 O GLY A 68 16.246 27.077 31.130 1.00 0.00 O ATOM 0 H GLY A 68 15.961 30.738 32.433 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.584 29.012 33.077 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.211 28.626 31.409 1.00 0.00 H new ATOM 1098 N CYS A 69 16.828 27.755 33.199 1.00 0.00 N ATOM 1099 CA CYS A 69 17.801 26.699 33.461 1.00 0.00 C ATOM 1100 C CYS A 69 17.123 25.314 33.412 1.00 0.00 C ATOM 1101 O CYS A 69 15.959 25.169 33.802 1.00 0.00 O ATOM 1102 CB CYS A 69 18.479 26.981 34.812 1.00 0.00 C ATOM 1103 SG CYS A 69 17.228 27.155 36.127 1.00 0.00 S ATOM 0 H CYS A 69 16.771 28.446 33.947 1.00 0.00 H new ATOM 0 HA CYS A 69 18.570 26.688 32.689 1.00 0.00 H new ATOM 0 HB2 CYS A 69 19.164 26.170 35.058 1.00 0.00 H new ATOM 0 HB3 CYS A 69 19.074 27.892 34.744 1.00 0.00 H new ATOM 0 HG CYS A 69 17.820 27.390 37.260 1.00 0.00 H new ATOM 1109 N ASP A 70 17.840 24.302 32.919 1.00 0.00 N ATOM 1110 CA ASP A 70 17.274 22.961 32.739 1.00 0.00 C ATOM 1111 C ASP A 70 18.220 21.821 33.136 1.00 0.00 C ATOM 1112 O ASP A 70 19.449 21.948 33.089 1.00 0.00 O ATOM 1113 CB ASP A 70 16.725 22.801 31.309 1.00 0.00 C ATOM 1114 CG ASP A 70 15.479 21.914 31.256 1.00 0.00 C ATOM 1115 OD1 ASP A 70 15.026 21.417 32.312 1.00 0.00 O ATOM 1116 OD2 ASP A 70 14.904 21.753 30.159 1.00 0.00 O ATOM 0 H ASP A 70 18.817 24.385 32.636 1.00 0.00 H new ATOM 0 HA ASP A 70 16.445 22.875 33.441 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.485 23.784 30.903 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.499 22.373 30.672 1.00 0.00 H new ATOM 1121 N PHE A 71 17.613 20.722 33.582 1.00 0.00 N ATOM 1122 CA PHE A 71 18.210 19.712 34.454 1.00 0.00 C ATOM 1123 C PHE A 71 17.443 18.378 34.376 1.00 0.00 C ATOM 1124 O PHE A 71 16.318 18.339 33.886 1.00 0.00 O ATOM 1125 CB PHE A 71 18.245 20.260 35.895 1.00 0.00 C ATOM 1126 CG PHE A 71 17.041 21.082 36.334 1.00 0.00 C ATOM 1127 CD1 PHE A 71 15.842 20.449 36.715 1.00 0.00 C ATOM 1128 CD2 PHE A 71 17.118 22.489 36.354 1.00 0.00 C ATOM 1129 CE1 PHE A 71 14.741 21.216 37.144 1.00 0.00 C ATOM 1130 CE2 PHE A 71 16.014 23.255 36.766 1.00 0.00 C ATOM 1131 CZ PHE A 71 14.829 22.617 37.173 1.00 0.00 C ATOM 0 H PHE A 71 16.648 20.502 33.334 1.00 0.00 H new ATOM 0 HA PHE A 71 19.228 19.504 34.123 1.00 0.00 H new ATOM 0 HB2 PHE A 71 18.352 19.418 36.579 1.00 0.00 H new ATOM 0 HB3 PHE A 71 19.138 20.875 36.005 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.766 19.372 36.678 1.00 0.00 H new ATOM 0 HD2 PHE A 71 18.030 22.981 36.051 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.829 20.726 37.451 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.076 24.333 36.770 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.987 23.204 37.508 1.00 0.00 H new ATOM 1141 N GLU A 72 18.046 17.302 34.902 1.00 0.00 N ATOM 1142 CA GLU A 72 17.524 15.922 34.925 1.00 0.00 C ATOM 1143 C GLU A 72 17.223 15.354 33.526 1.00 0.00 C ATOM 1144 O GLU A 72 16.158 15.562 32.945 1.00 0.00 O ATOM 1145 CB GLU A 72 16.334 15.792 35.893 1.00 0.00 C ATOM 1146 CG GLU A 72 16.626 16.346 37.296 1.00 0.00 C ATOM 1147 CD GLU A 72 17.938 15.812 37.880 1.00 0.00 C ATOM 1148 OE1 GLU A 72 17.969 14.644 38.339 1.00 0.00 O ATOM 1149 OE2 GLU A 72 18.942 16.558 37.936 1.00 0.00 O ATOM 0 H GLU A 72 18.961 17.372 35.348 1.00 0.00 H new ATOM 0 HA GLU A 72 18.326 15.293 35.311 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.476 16.317 35.474 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.056 14.741 35.976 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.669 17.434 37.251 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.804 16.087 37.963 1.00 0.00 H new ATOM 1156 N GLY A 73 18.203 14.650 32.951 1.00 0.00 N ATOM 1157 CA GLY A 73 18.195 14.249 31.539 1.00 0.00 C ATOM 1158 C GLY A 73 18.520 15.422 30.606 1.00 0.00 C ATOM 1159 O GLY A 73 19.473 15.340 29.829 1.00 0.00 O ATOM 0 H GLY A 73 19.032 14.339 33.457 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.922 13.451 31.385 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.216 13.843 31.283 1.00 0.00 H new ATOM 1163 N ASN A 74 17.822 16.548 30.754 1.00 0.00 N ATOM 1164 CA ASN A 74 18.201 17.831 30.153 1.00 0.00 C ATOM 1165 C ASN A 74 19.437 18.412 30.876 1.00 0.00 C ATOM 1166 O ASN A 74 19.585 18.256 32.086 1.00 0.00 O ATOM 1167 CB ASN A 74 16.995 18.792 30.165 1.00 0.00 C ATOM 1168 CG ASN A 74 15.870 18.384 29.219 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.779 17.269 28.732 1.00 0.00 O ATOM 1170 ND2 ASN A 74 14.972 19.283 28.899 1.00 0.00 N ATOM 0 H ASN A 74 16.964 16.597 31.303 1.00 0.00 H new ATOM 0 HA ASN A 74 18.484 17.685 29.111 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.600 18.851 31.179 1.00 0.00 H new ATOM 0 HB3 ASN A 74 17.337 19.792 29.897 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.218 19.044 28.255 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.027 20.222 29.293 1.00 0.00 H new ATOM 1177 N LYS A 75 20.341 19.071 30.140 1.00 0.00 N ATOM 1178 CA LYS A 75 21.642 19.593 30.622 1.00 0.00 C ATOM 1179 C LYS A 75 21.834 21.039 30.133 1.00 0.00 C ATOM 1180 O LYS A 75 22.306 21.250 29.015 1.00 0.00 O ATOM 1181 CB LYS A 75 22.783 18.657 30.132 1.00 0.00 C ATOM 1182 CG LYS A 75 23.327 17.665 31.180 1.00 0.00 C ATOM 1183 CD LYS A 75 22.411 16.461 31.445 1.00 0.00 C ATOM 1184 CE LYS A 75 21.740 16.491 32.822 1.00 0.00 C ATOM 1185 NZ LYS A 75 22.595 15.946 33.897 1.00 0.00 N ATOM 0 H LYS A 75 20.187 19.267 29.151 1.00 0.00 H new ATOM 0 HA LYS A 75 21.664 19.609 31.712 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.420 18.090 29.275 1.00 0.00 H new ATOM 0 HB3 LYS A 75 23.609 19.275 29.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 24.299 17.301 30.848 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.489 18.197 32.117 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.640 16.426 30.675 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.994 15.545 31.354 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.471 17.519 33.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.812 15.920 32.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.086 15.993 34.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.831 14.956 33.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.470 16.505 33.962 1.00 0.00 H new ATOM 1199 N LEU A 76 21.345 22.034 30.894 1.00 0.00 N ATOM 1200 CA LEU A 76 21.231 23.413 30.391 1.00 0.00 C ATOM 1201 C LEU A 76 21.106 24.509 31.487 1.00 0.00 C ATOM 1202 O LEU A 76 20.203 25.347 31.427 1.00 0.00 O ATOM 1203 CB LEU A 76 20.080 23.462 29.342 1.00 0.00 C ATOM 1204 CG LEU A 76 20.512 24.088 28.002 1.00 0.00 C ATOM 1205 CD1 LEU A 76 19.375 23.990 26.983 1.00 0.00 C ATOM 1206 CD2 LEU A 76 20.903 25.560 28.141 1.00 0.00 C ATOM 0 H LEU A 76 21.024 21.910 31.854 1.00 0.00 H new ATOM 0 HA LEU A 76 22.178 23.669 29.915 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.716 22.450 29.163 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.247 24.033 29.752 1.00 0.00 H new ATOM 0 HG LEU A 76 21.385 23.528 27.667 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.692 24.436 26.040 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.120 22.943 26.822 1.00 0.00 H new ATOM 0 HD13 LEU A 76 18.502 24.522 27.360 1.00 0.00 H new ATOM 0 HD21 LEU A 76 21.199 25.951 27.168 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.052 26.128 28.517 1.00 0.00 H new ATOM 0 HD23 LEU A 76 21.737 25.651 28.837 1.00 0.00 H new ATOM 1218 N ARG A 77 22.005 24.585 32.483 1.00 0.00 N ATOM 1219 CA ARG A 77 22.099 25.789 33.344 1.00 0.00 C ATOM 1220 C ARG A 77 22.979 26.859 32.685 1.00 0.00 C ATOM 1221 O ARG A 77 24.146 26.991 33.031 1.00 0.00 O ATOM 1222 CB ARG A 77 22.554 25.436 34.778 1.00 0.00 C ATOM 1223 CG ARG A 77 22.601 26.686 35.688 1.00 0.00 C ATOM 1224 CD ARG A 77 23.038 26.359 37.118 1.00 0.00 C ATOM 1225 NE ARG A 77 21.954 25.760 37.912 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.899 26.405 38.378 1.00 0.00 C ATOM 1227 NH1 ARG A 77 20.762 27.695 38.292 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.933 25.736 38.936 1.00 0.00 N ATOM 0 H ARG A 77 22.668 23.845 32.714 1.00 0.00 H new ATOM 0 HA ARG A 77 21.101 26.214 33.446 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.872 24.700 35.205 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.541 24.974 34.743 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.288 27.416 35.260 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.615 27.151 35.711 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.885 25.673 37.089 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.382 27.270 37.607 1.00 0.00 H new ATOM 0 HE ARG A 77 22.022 24.764 38.120 1.00 0.00 H new ATOM 0 HH11 ARG A 77 21.489 28.257 37.849 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.928 28.145 38.668 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.993 24.721 39.012 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.115 26.227 39.298 1.00 0.00 H new ATOM 1242 N VAL A 78 22.426 27.640 31.757 1.00 0.00 N ATOM 1243 CA VAL A 78 22.977 28.968 31.403 1.00 0.00 C ATOM 1244 C VAL A 78 22.484 29.988 32.432 1.00 0.00 C ATOM 1245 O VAL A 78 21.292 30.015 32.730 1.00 0.00 O ATOM 1246 CB VAL A 78 22.577 29.385 29.973 1.00 0.00 C ATOM 1247 CG1 VAL A 78 22.927 30.845 29.648 1.00 0.00 C ATOM 1248 CG2 VAL A 78 23.295 28.509 28.940 1.00 0.00 C ATOM 0 H VAL A 78 21.592 27.383 31.229 1.00 0.00 H new ATOM 0 HA VAL A 78 24.066 28.922 31.421 1.00 0.00 H new ATOM 0 HB VAL A 78 21.495 29.262 29.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 22.620 31.074 28.628 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.407 31.507 30.341 1.00 0.00 H new ATOM 0 HG13 VAL A 78 24.003 30.991 29.744 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.002 28.816 27.936 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.373 28.622 29.054 1.00 0.00 H new ATOM 0 HG23 VAL A 78 23.021 27.465 29.095 1.00 0.00 H new ATOM 1258 N GLU A 79 23.374 30.814 32.988 1.00 0.00 N ATOM 1259 CA GLU A 79 23.026 31.747 34.067 1.00 0.00 C ATOM 1260 C GLU A 79 23.972 32.970 34.132 1.00 0.00 C ATOM 1261 O GLU A 79 25.154 32.901 33.786 1.00 0.00 O ATOM 1262 CB GLU A 79 22.923 30.947 35.383 1.00 0.00 C ATOM 1263 CG GLU A 79 22.877 31.780 36.668 1.00 0.00 C ATOM 1264 CD GLU A 79 22.586 30.945 37.924 1.00 0.00 C ATOM 1265 OE1 GLU A 79 22.629 29.694 37.870 1.00 0.00 O ATOM 1266 OE2 GLU A 79 22.337 31.586 38.975 1.00 0.00 O ATOM 0 H GLU A 79 24.353 30.856 32.705 1.00 0.00 H new ATOM 0 HA GLU A 79 22.054 32.199 33.868 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.026 30.329 35.341 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.775 30.270 35.442 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.830 32.293 36.794 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.112 32.550 36.567 1.00 0.00 H new ATOM 1273 N VAL A 80 23.431 34.116 34.561 1.00 0.00 N ATOM 1274 CA VAL A 80 24.124 35.419 34.592 1.00 0.00 C ATOM 1275 C VAL A 80 24.495 35.798 36.037 1.00 0.00 C ATOM 1276 O VAL A 80 23.617 36.231 36.782 1.00 0.00 O ATOM 1277 CB VAL A 80 23.245 36.502 33.927 1.00 0.00 C ATOM 1278 CG1 VAL A 80 23.860 37.905 34.015 1.00 0.00 C ATOM 1279 CG2 VAL A 80 23.036 36.187 32.440 1.00 0.00 C ATOM 0 H VAL A 80 22.473 34.169 34.907 1.00 0.00 H new ATOM 0 HA VAL A 80 25.052 35.344 34.025 1.00 0.00 H new ATOM 0 HB VAL A 80 22.301 36.493 34.472 1.00 0.00 H new ATOM 0 HG11 VAL A 80 23.198 38.623 33.531 1.00 0.00 H new ATOM 0 HG12 VAL A 80 23.991 38.180 35.062 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.828 37.910 33.515 1.00 0.00 H new ATOM 0 HG21 VAL A 80 22.415 36.960 31.988 1.00 0.00 H new ATOM 0 HG22 VAL A 80 24.002 36.156 31.935 1.00 0.00 H new ATOM 0 HG23 VAL A 80 22.543 35.220 32.339 1.00 0.00 H new ATOM 1289 N PRO A 81 25.773 35.681 36.456 1.00 0.00 N ATOM 1290 CA PRO A 81 26.220 36.087 37.793 1.00 0.00 C ATOM 1291 C PRO A 81 26.457 37.605 37.935 1.00 0.00 C ATOM 1292 O PRO A 81 26.556 38.107 39.049 1.00 0.00 O ATOM 1293 CB PRO A 81 27.518 35.305 38.018 1.00 0.00 C ATOM 1294 CG PRO A 81 28.104 35.179 36.613 1.00 0.00 C ATOM 1295 CD PRO A 81 26.858 35.011 35.746 1.00 0.00 C ATOM 0 HA PRO A 81 25.452 35.870 38.535 1.00 0.00 H new ATOM 0 HB2 PRO A 81 28.194 35.834 38.689 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.327 34.328 38.463 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.677 36.063 36.332 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.775 34.324 36.529 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.008 35.451 34.760 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.630 33.956 35.593 1.00 0.00 H new ATOM 1303 N PHE A 82 26.557 38.346 36.825 1.00 0.00 N ATOM 1304 CA PHE A 82 26.778 39.802 36.785 1.00 0.00 C ATOM 1305 C PHE A 82 25.461 40.579 36.572 1.00 0.00 C ATOM 1306 O PHE A 82 25.405 41.546 35.818 1.00 0.00 O ATOM 1307 CB PHE A 82 27.893 40.146 35.778 1.00 0.00 C ATOM 1308 CG PHE A 82 27.586 39.882 34.312 1.00 0.00 C ATOM 1309 CD1 PHE A 82 27.576 38.565 33.819 1.00 0.00 C ATOM 1310 CD2 PHE A 82 27.329 40.947 33.426 1.00 0.00 C ATOM 1311 CE1 PHE A 82 27.290 38.311 32.466 1.00 0.00 C ATOM 1312 CE2 PHE A 82 27.066 40.696 32.067 1.00 0.00 C ATOM 1313 CZ PHE A 82 27.042 39.375 31.588 1.00 0.00 C ATOM 0 H PHE A 82 26.484 37.936 35.894 1.00 0.00 H new ATOM 0 HA PHE A 82 27.135 40.136 37.759 1.00 0.00 H new ATOM 0 HB2 PHE A 82 28.141 41.201 35.890 1.00 0.00 H new ATOM 0 HB3 PHE A 82 28.784 39.579 36.048 1.00 0.00 H new ATOM 0 HD1 PHE A 82 27.790 37.742 34.485 1.00 0.00 H new ATOM 0 HD2 PHE A 82 27.334 41.963 33.793 1.00 0.00 H new ATOM 0 HE1 PHE A 82 27.261 37.294 32.103 1.00 0.00 H new ATOM 0 HE2 PHE A 82 26.883 41.519 31.392 1.00 0.00 H new ATOM 0 HZ PHE A 82 26.833 39.180 30.546 1.00 0.00 H new ATOM 1323 N ASN A 83 24.385 40.131 37.222 1.00 0.00 N ATOM 1324 CA ASN A 83 22.996 40.588 37.068 1.00 0.00 C ATOM 1325 C ASN A 83 22.695 42.016 37.601 1.00 0.00 C ATOM 1326 O ASN A 83 21.546 42.320 37.945 1.00 0.00 O ATOM 1327 CB ASN A 83 22.086 39.518 37.706 1.00 0.00 C ATOM 1328 CG ASN A 83 22.190 39.495 39.224 1.00 0.00 C ATOM 1329 OD1 ASN A 83 23.267 39.371 39.790 1.00 0.00 O ATOM 1330 ND2 ASN A 83 21.099 39.660 39.926 1.00 0.00 N ATOM 0 H ASN A 83 24.463 39.389 37.918 1.00 0.00 H new ATOM 0 HA ASN A 83 22.797 40.694 36.002 1.00 0.00 H new ATOM 0 HB2 ASN A 83 21.052 39.707 37.419 1.00 0.00 H new ATOM 0 HB3 ASN A 83 22.352 38.537 37.312 1.00 0.00 H new ATOM 0 HD21 ASN A 83 21.147 39.685 40.945 1.00 0.00 H new ATOM 0 HD22 ASN A 83 20.200 39.764 39.455 1.00 0.00 H new ATOM 1337 N ALA A 84 23.705 42.880 37.699 1.00 0.00 N ATOM 1338 CA ALA A 84 23.556 44.283 38.067 1.00 0.00 C ATOM 1339 C ALA A 84 24.559 45.167 37.312 1.00 0.00 C ATOM 1340 O ALA A 84 25.775 45.015 37.462 1.00 0.00 O ATOM 1341 CB ALA A 84 23.668 44.436 39.590 1.00 0.00 C ATOM 0 H ALA A 84 24.673 42.614 37.520 1.00 0.00 H new ATOM 0 HA ALA A 84 22.565 44.626 37.770 1.00 0.00 H new ATOM 0 HB1 ALA A 84 23.556 45.486 39.859 1.00 0.00 H new ATOM 0 HB2 ALA A 84 22.885 43.852 40.073 1.00 0.00 H new ATOM 0 HB3 ALA A 84 24.643 44.079 39.921 1.00 0.00 H new ATOM 1347 N ARG A 85 24.042 46.106 36.511 1.00 0.00 N ATOM 1348 CA ARG A 85 24.825 47.108 35.764 1.00 0.00 C ATOM 1349 C ARG A 85 24.053 48.410 35.490 1.00 0.00 C ATOM 1350 O ARG A 85 24.427 49.172 34.597 1.00 0.00 O ATOM 1351 CB ARG A 85 25.402 46.470 34.476 1.00 0.00 C ATOM 1352 CG ARG A 85 26.775 47.047 34.093 1.00 0.00 C ATOM 1353 CD ARG A 85 27.891 46.488 34.993 1.00 0.00 C ATOM 1354 NE ARG A 85 29.146 47.255 34.873 1.00 0.00 N ATOM 1355 CZ ARG A 85 29.493 48.312 35.585 1.00 0.00 C ATOM 1356 NH1 ARG A 85 28.683 48.915 36.410 1.00 0.00 N ATOM 1357 NH2 ARG A 85 30.697 48.775 35.489 1.00 0.00 N ATOM 0 H ARG A 85 23.038 46.196 36.357 1.00 0.00 H new ATOM 0 HA ARG A 85 25.656 47.416 36.398 1.00 0.00 H new ATOM 0 HB2 ARG A 85 25.491 45.393 34.617 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.704 46.627 33.653 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.993 46.810 33.052 1.00 0.00 H new ATOM 0 HG3 ARG A 85 26.750 48.134 34.175 1.00 0.00 H new ATOM 0 HD2 ARG A 85 27.558 46.501 36.031 1.00 0.00 H new ATOM 0 HD3 ARG A 85 28.078 45.447 34.731 1.00 0.00 H new ATOM 0 HE ARG A 85 29.813 46.937 34.169 1.00 0.00 H new ATOM 0 HH11 ARG A 85 27.729 48.573 36.530 1.00 0.00 H new ATOM 0 HH12 ARG A 85 29.003 49.728 36.936 1.00 0.00 H new ATOM 0 HH21 ARG A 85 31.369 48.324 34.868 1.00 0.00 H new ATOM 0 HH22 ARG A 85 30.975 49.591 36.035 1.00 0.00 H new ATOM 1371 N GLU A 86 22.987 48.656 36.251 1.00 0.00 N ATOM 1372 CA GLU A 86 22.207 49.906 36.280 1.00 0.00 C ATOM 1373 C GLU A 86 22.465 50.713 37.560 1.00 0.00 C ATOM 1374 O GLU A 86 23.572 51.286 37.646 1.00 0.00 O ATOM 1375 CB GLU A 86 20.722 49.618 35.983 1.00 0.00 C ATOM 1376 CG GLU A 86 20.039 48.549 36.859 1.00 0.00 C ATOM 1377 CD GLU A 86 20.367 47.131 36.371 1.00 0.00 C ATOM 1378 OE1 GLU A 86 19.826 46.703 35.330 1.00 0.00 O ATOM 1379 OE2 GLU A 86 21.202 46.432 37.000 1.00 0.00 O ATOM 1380 OXT GLU A 86 21.567 50.867 38.419 1.00 0.00 O ATOM 0 H GLU A 86 22.621 47.958 36.898 1.00 0.00 H new ATOM 0 HA GLU A 86 22.549 50.562 35.480 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.166 50.550 36.087 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.636 49.311 34.941 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.363 48.663 37.894 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.960 48.700 36.844 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.357 24.863 40.606 1.00 0.00 O ATOM 1389 C5' A B 101 24.602 24.664 39.952 1.00 0.00 C ATOM 1390 C4' A B 101 25.687 25.679 40.350 1.00 0.00 C ATOM 1391 O4' A B 101 25.201 27.014 40.199 1.00 0.00 O ATOM 1392 C3' A B 101 26.156 25.523 41.808 1.00 0.00 C ATOM 1393 O3' A B 101 27.523 25.894 41.945 1.00 0.00 O ATOM 1394 C2' A B 101 25.287 26.560 42.517 1.00 0.00 C ATOM 1395 O2' A B 101 25.801 27.005 43.762 1.00 0.00 O ATOM 1396 C1' A B 101 25.327 27.660 41.461 1.00 0.00 C ATOM 1397 N9 A B 101 24.304 28.699 41.703 1.00 0.00 N ATOM 1398 C8 A B 101 24.509 30.013 42.037 1.00 0.00 C ATOM 1399 N7 A B 101 23.417 30.706 42.208 1.00 0.00 N ATOM 1400 C5 A B 101 22.405 29.761 41.979 1.00 0.00 C ATOM 1401 C6 A B 101 20.989 29.785 42.010 1.00 0.00 C ATOM 1402 N6 A B 101 20.246 30.849 42.260 1.00 0.00 N ATOM 1403 N1 A B 101 20.276 28.673 41.828 1.00 0.00 N ATOM 1404 C2 A B 101 20.942 27.555 41.569 1.00 0.00 C ATOM 1405 N3 A B 101 22.253 27.377 41.456 1.00 0.00 N ATOM 1406 C4 A B 101 22.938 28.534 41.683 1.00 0.00 C ATOM 0 H5' A B 101 24.447 24.717 38.874 1.00 0.00 H new ATOM 0 H5'' A B 101 24.961 23.659 40.174 1.00 0.00 H new ATOM 0 H4' A B 101 26.530 25.482 39.687 1.00 0.00 H new ATOM 0 H3' A B 101 26.071 24.504 42.186 1.00 0.00 H new ATOM 0 H2' A B 101 24.301 26.194 42.804 1.00 0.00 H new ATOM 0 HO2' A B 101 26.775 26.897 43.771 1.00 0.00 H new ATOM 0 HO5' A B 101 23.229 25.818 40.783 1.00 0.00 H new ATOM 0 H1' A B 101 26.267 28.210 41.497 1.00 0.00 H new ATOM 0 H8 A B 101 25.495 30.440 42.149 1.00 0.00 H new ATOM 0 H61 A B 101 19.229 30.772 42.261 1.00 0.00 H new ATOM 0 H62 A B 101 20.690 31.747 42.452 1.00 0.00 H new ATOM 0 H2 A B 101 20.337 26.671 41.432 1.00 0.00 H new ATOM 1419 P C B 102 28.697 24.966 41.420 1.00 0.00 P ATOM 1420 OP1 C B 102 28.129 23.941 40.535 1.00 0.00 O ATOM 1421 OP2 C B 102 29.432 24.520 42.618 1.00 0.00 O ATOM 1422 O5' C B 102 29.651 25.971 40.647 1.00 0.00 O ATOM 1423 C5' C B 102 29.165 26.973 39.775 1.00 0.00 C ATOM 1424 C4' C B 102 30.298 27.964 39.467 1.00 0.00 C ATOM 1425 O4' C B 102 29.761 29.125 38.839 1.00 0.00 O ATOM 1426 C3' C B 102 31.032 28.483 40.718 1.00 0.00 C ATOM 1427 O3' C B 102 32.351 28.910 40.395 1.00 0.00 O ATOM 1428 C2' C B 102 30.120 29.646 41.121 1.00 0.00 C ATOM 1429 O2' C B 102 30.744 30.638 41.934 1.00 0.00 O ATOM 1430 C1' C B 102 29.678 30.207 39.767 1.00 0.00 C ATOM 1431 N1 C B 102 28.303 30.803 39.834 1.00 0.00 N ATOM 1432 C2 C B 102 28.114 32.014 40.513 1.00 0.00 C ATOM 1433 O2 C B 102 29.026 32.538 41.144 1.00 0.00 O ATOM 1434 N3 C B 102 26.906 32.629 40.515 1.00 0.00 N ATOM 1435 C4 C B 102 25.907 32.064 39.870 1.00 0.00 C ATOM 1436 N4 C B 102 24.772 32.693 39.918 1.00 0.00 N ATOM 1437 C5 C B 102 26.019 30.812 39.216 1.00 0.00 C ATOM 1438 C6 C B 102 27.236 30.214 39.203 1.00 0.00 C ATOM 0 H5' C B 102 28.324 27.494 40.232 1.00 0.00 H new ATOM 0 H5'' C B 102 28.798 26.523 38.853 1.00 0.00 H new ATOM 0 H4' C B 102 30.997 27.409 38.841 1.00 0.00 H new ATOM 0 H3' C B 102 31.180 27.747 41.508 1.00 0.00 H new ATOM 0 H2' C B 102 29.300 29.312 41.757 1.00 0.00 H new ATOM 0 HO2' C B 102 30.332 31.510 41.760 1.00 0.00 H new ATOM 0 H1' C B 102 30.322 31.028 39.452 1.00 0.00 H new ATOM 0 H41 C B 102 23.956 32.310 39.440 1.00 0.00 H new ATOM 0 H42 C B 102 24.696 33.570 40.434 1.00 0.00 H new ATOM 0 H5 C B 102 25.164 30.350 38.744 1.00 0.00 H new ATOM 0 H6 C B 102 27.366 29.270 38.694 1.00 0.00 H new ATOM 1450 P A B 103 33.544 27.851 40.349 1.00 0.00 P ATOM 1451 OP1 A B 103 33.008 26.567 39.881 1.00 0.00 O ATOM 1452 OP2 A B 103 34.179 27.897 41.687 1.00 0.00 O ATOM 1453 O5' A B 103 34.581 28.420 39.271 1.00 0.00 O ATOM 1454 C5' A B 103 35.498 29.436 39.626 1.00 0.00 C ATOM 1455 C4' A B 103 36.351 29.848 38.421 1.00 0.00 C ATOM 1456 O4' A B 103 35.575 30.485 37.406 1.00 0.00 O ATOM 1457 C3' A B 103 37.450 30.857 38.792 1.00 0.00 C ATOM 1458 O3' A B 103 38.545 30.845 37.888 1.00 0.00 O ATOM 1459 C2' A B 103 36.741 32.209 38.608 1.00 0.00 C ATOM 1460 O2' A B 103 37.626 33.209 38.108 1.00 0.00 O ATOM 1461 C1' A B 103 35.668 31.900 37.554 1.00 0.00 C ATOM 1462 N9 A B 103 34.355 32.582 37.750 1.00 0.00 N ATOM 1463 C8 A B 103 33.597 33.166 36.766 1.00 0.00 C ATOM 1464 N7 A B 103 32.522 33.778 37.179 1.00 0.00 N ATOM 1465 C5 A B 103 32.562 33.573 38.564 1.00 0.00 C ATOM 1466 C6 A B 103 31.719 33.915 39.651 1.00 0.00 C ATOM 1467 N6 A B 103 30.573 34.549 39.555 1.00 0.00 N ATOM 1468 N1 A B 103 32.024 33.578 40.898 1.00 0.00 N ATOM 1469 C2 A B 103 33.143 32.908 41.094 1.00 0.00 C ATOM 1470 N3 A B 103 34.024 32.513 40.187 1.00 0.00 N ATOM 1471 C4 A B 103 33.675 32.857 38.921 1.00 0.00 C ATOM 0 H5' A B 103 36.144 29.084 40.430 1.00 0.00 H new ATOM 0 H5'' A B 103 34.957 30.302 40.007 1.00 0.00 H new ATOM 0 H4' A B 103 36.783 28.913 38.066 1.00 0.00 H new ATOM 0 H3' A B 103 37.852 30.644 39.783 1.00 0.00 H new ATOM 0 H2' A B 103 36.349 32.597 39.548 1.00 0.00 H new ATOM 0 HO2' A B 103 38.448 32.786 37.782 1.00 0.00 H new ATOM 0 H1' A B 103 35.993 32.341 36.612 1.00 0.00 H new ATOM 0 H8 A B 103 33.872 33.122 35.722 1.00 0.00 H new ATOM 0 H61 A B 103 30.031 34.754 40.395 1.00 0.00 H new ATOM 0 H62 A B 103 30.225 34.837 38.641 1.00 0.00 H new ATOM 0 H2 A B 103 33.368 32.650 42.118 1.00 0.00 H new ATOM 1483 P U B 104 39.536 29.613 37.722 1.00 0.00 P ATOM 1484 OP1 U B 104 38.912 28.644 36.800 1.00 0.00 O ATOM 1485 OP2 U B 104 40.022 29.136 39.028 1.00 0.00 O ATOM 1486 O5' U B 104 40.710 30.377 36.964 1.00 0.00 O ATOM 1487 C5' U B 104 40.487 30.951 35.684 1.00 0.00 C ATOM 1488 C4' U B 104 40.586 29.888 34.579 1.00 0.00 C ATOM 1489 O4' U B 104 39.477 29.926 33.688 1.00 0.00 O ATOM 1490 C3' U B 104 41.872 30.034 33.772 1.00 0.00 C ATOM 1491 O3' U B 104 42.490 28.765 33.691 1.00 0.00 O ATOM 1492 C2' U B 104 41.388 30.584 32.417 1.00 0.00 C ATOM 1493 O2' U B 104 41.822 29.778 31.331 1.00 0.00 O ATOM 1494 C1' U B 104 39.854 30.583 32.486 1.00 0.00 C ATOM 1495 N1 U B 104 39.092 31.868 32.408 1.00 0.00 N ATOM 1496 C2 U B 104 39.496 32.994 33.142 1.00 0.00 C ATOM 1497 O2 U B 104 40.663 33.283 33.382 1.00 0.00 O ATOM 1498 N3 U B 104 38.509 33.850 33.572 1.00 0.00 N ATOM 1499 C4 U B 104 37.176 33.732 33.280 1.00 0.00 C ATOM 1500 O4 U B 104 36.362 34.418 33.880 1.00 0.00 O ATOM 1501 C5 U B 104 36.873 32.725 32.291 1.00 0.00 C ATOM 1502 C6 U B 104 37.816 31.836 31.879 1.00 0.00 C ATOM 0 H5' U B 104 41.218 31.739 35.502 1.00 0.00 H new ATOM 0 H5'' U B 104 39.502 31.418 35.657 1.00 0.00 H new ATOM 0 H4' U B 104 40.587 28.927 35.094 1.00 0.00 H new ATOM 0 H3' U B 104 42.624 30.698 34.198 1.00 0.00 H new ATOM 0 H2' U B 104 41.796 31.580 32.245 1.00 0.00 H new ATOM 0 HO2' U B 104 42.798 29.689 31.359 1.00 0.00 H new ATOM 0 H1' U B 104 39.575 30.089 31.555 1.00 0.00 H new ATOM 0 H3 U B 104 38.793 34.637 34.156 1.00 0.00 H new ATOM 0 H5 U B 104 35.879 32.677 31.871 1.00 0.00 H new ATOM 0 H6 U B 104 37.565 31.098 31.131 1.00 0.00 H new ATOM 1513 P C B 105 44.039 28.660 33.399 1.00 0.00 P ATOM 1514 OP1 C B 105 44.342 29.734 32.429 1.00 0.00 O ATOM 1515 OP2 C B 105 44.276 27.247 33.039 1.00 0.00 O ATOM 1516 O5' C B 105 44.717 29.020 34.794 1.00 0.00 O ATOM 1517 C5' C B 105 44.302 28.458 36.037 1.00 0.00 C ATOM 1518 C4' C B 105 45.120 29.104 37.165 1.00 0.00 C ATOM 1519 O4' C B 105 45.088 30.518 37.078 1.00 0.00 O ATOM 1520 C3' C B 105 44.624 28.876 38.598 1.00 0.00 C ATOM 1521 O3' C B 105 44.855 27.585 39.119 1.00 0.00 O ATOM 1522 C2' C B 105 45.459 29.930 39.353 1.00 0.00 C ATOM 1523 O2' C B 105 46.749 29.441 39.727 1.00 0.00 O ATOM 1524 C1' C B 105 45.599 31.034 38.295 1.00 0.00 C ATOM 1525 N1 C B 105 44.835 32.231 38.734 1.00 0.00 N ATOM 1526 C2 C B 105 45.529 33.214 39.444 1.00 0.00 C ATOM 1527 O2 C B 105 46.754 33.187 39.534 1.00 0.00 O ATOM 1528 N3 C B 105 44.849 34.202 40.075 1.00 0.00 N ATOM 1529 C4 C B 105 43.536 34.230 39.990 1.00 0.00 C ATOM 1530 N4 C B 105 42.962 35.148 40.709 1.00 0.00 N ATOM 1531 C5 C B 105 42.777 33.283 39.245 1.00 0.00 C ATOM 1532 C6 C B 105 43.465 32.294 38.619 1.00 0.00 C ATOM 0 H5' C B 105 44.451 27.378 36.032 1.00 0.00 H new ATOM 0 H5'' C B 105 43.238 28.632 36.194 1.00 0.00 H new ATOM 0 H4' C B 105 46.090 28.631 37.012 1.00 0.00 H new ATOM 0 H3' C B 105 43.540 28.963 38.678 1.00 0.00 H new ATOM 0 H2' C B 105 44.997 30.243 40.289 1.00 0.00 H new ATOM 0 HO2' C B 105 46.770 28.466 39.629 1.00 0.00 H new ATOM 0 H1' C B 105 46.638 31.333 38.160 1.00 0.00 H new ATOM 0 H41 C B 105 41.946 35.240 40.702 1.00 0.00 H new ATOM 0 H42 C B 105 43.527 35.776 41.280 1.00 0.00 H new ATOM 0 H5 C B 105 41.701 33.349 39.181 1.00 0.00 H new ATOM 0 H6 C B 105 42.938 31.557 38.031 1.00 0.00 H new ATOM 1544 P A B 106 44.095 27.054 40.413 1.00 0.00 P ATOM 1545 OP1 A B 106 45.031 26.069 40.980 1.00 0.00 O ATOM 1546 OP2 A B 106 42.739 26.624 40.022 1.00 0.00 O ATOM 1547 O5' A B 106 43.962 28.245 41.484 1.00 0.00 O ATOM 1548 C5' A B 106 42.785 29.047 41.574 1.00 0.00 C ATOM 1549 C4' A B 106 42.615 29.629 42.980 1.00 0.00 C ATOM 1550 O4' A B 106 43.582 30.605 43.337 1.00 0.00 O ATOM 1551 C3' A B 106 41.289 30.376 43.110 1.00 0.00 C ATOM 1552 O3' A B 106 40.190 29.505 43.278 1.00 0.00 O ATOM 1553 C2' A B 106 41.517 31.185 44.390 1.00 0.00 C ATOM 1554 O2' A B 106 41.085 30.440 45.529 1.00 0.00 O ATOM 1555 C1' A B 106 43.049 31.364 44.429 1.00 0.00 C ATOM 1556 N9 A B 106 43.433 32.794 44.325 1.00 0.00 N ATOM 1557 C8 A B 106 44.199 33.407 43.359 1.00 0.00 C ATOM 1558 N7 A B 106 44.435 34.674 43.576 1.00 0.00 N ATOM 1559 C5 A B 106 43.819 34.908 44.810 1.00 0.00 C ATOM 1560 C6 A B 106 43.740 36.016 45.688 1.00 0.00 C ATOM 1561 N6 A B 106 44.300 37.188 45.481 1.00 0.00 N ATOM 1562 N1 A B 106 43.079 35.935 46.843 1.00 0.00 N ATOM 1563 C2 A B 106 42.530 34.773 47.158 1.00 0.00 C ATOM 1564 N3 A B 106 42.526 33.641 46.454 1.00 0.00 N ATOM 1565 C4 A B 106 43.204 33.774 45.272 1.00 0.00 C ATOM 0 H5' A B 106 41.912 28.446 41.319 1.00 0.00 H new ATOM 0 H5'' A B 106 42.838 29.857 40.847 1.00 0.00 H new ATOM 0 H4' A B 106 42.699 28.751 43.621 1.00 0.00 H new ATOM 0 H3' A B 106 41.046 30.964 42.225 1.00 0.00 H new ATOM 0 H2' A B 106 40.970 32.128 44.403 1.00 0.00 H new ATOM 0 HO2' A B 106 40.453 29.747 45.246 1.00 0.00 H new ATOM 0 HO3' A B 106 39.366 30.030 43.358 1.00 0.00 H new ATOM 0 H1' A B 106 43.450 31.012 45.379 1.00 0.00 H new ATOM 0 H8 A B 106 44.574 32.883 42.492 1.00 0.00 H new ATOM 0 H61 A B 106 44.192 37.933 46.169 1.00 0.00 H new ATOM 0 H62 A B 106 44.842 37.351 44.633 1.00 0.00 H new ATOM 0 H2 A B 106 42.019 34.737 48.109 1.00 0.00 H new TER 1578 A B 106