USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 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 36 LYS NZ :NH3+ 139:sc= 0.595 (180deg=0.293) USER MOD Set 1.2: B 104 U O2' : rot -3:sc= 0.684 USER MOD Set 2.1: A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Set 2.2: A -1 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -135:sc= 0.0245 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.51) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.514 K(o=-0.51,f=0.0017) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 1.05 (180deg=0.425) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 37 CYS SG : rot 158:sc= -0.0314 USER MOD Single : A 40 LYS NZ :NH3+ -148:sc= 1.19 (180deg=-1.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 44 SER OG : rot -31:sc= 0.0169 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.14) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.119 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 101 A O2' : rot 149:sc= 0.0967 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 180:sc= 0 USER MOD Single : B 103 A O2' : rot 74:sc= 0.695 USER MOD Single : B 105 C O2' : rot -88:sc= 0.589 USER MOD Single : B 106 A O2' : rot -14:sc= 0.0938 USER MOD Single : B 106 A O3' : rot 180:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 30.849 21.863 46.003 1.00 0.00 N ATOM 2 CA GLY A -2 31.827 22.683 45.253 1.00 0.00 C ATOM 3 C GLY A -2 33.242 22.484 45.781 1.00 0.00 C ATOM 4 O GLY A -2 33.594 21.380 46.204 1.00 0.00 O ATOM 0 H1 GLY A -2 30.202 21.398 45.335 1.00 0.00 H new ATOM 0 H2 GLY A -2 31.353 21.141 46.556 1.00 0.00 H new ATOM 0 H3 GLY A -2 30.304 22.473 46.645 1.00 0.00 H new ATOM 0 HA2 GLY A -2 31.791 22.418 44.196 1.00 0.00 H new ATOM 0 HA3 GLY A -2 31.554 23.736 45.327 1.00 0.00 H new ATOM 10 N SER A -1 34.065 23.540 45.761 1.00 0.00 N ATOM 11 CA SER A -1 35.451 23.524 46.274 1.00 0.00 C ATOM 12 C SER A -1 35.939 24.911 46.724 1.00 0.00 C ATOM 13 O SER A -1 36.435 25.065 47.844 1.00 0.00 O ATOM 14 CB SER A -1 36.388 22.946 45.201 1.00 0.00 C ATOM 15 OG SER A -1 37.725 22.876 45.671 1.00 0.00 O ATOM 0 H SER A -1 33.787 24.446 45.383 1.00 0.00 H new ATOM 0 HA SER A -1 35.464 22.891 47.161 1.00 0.00 H new ATOM 0 HB2 SER A -1 36.048 21.951 44.915 1.00 0.00 H new ATOM 0 HB3 SER A -1 36.346 23.566 44.306 1.00 0.00 H new ATOM 0 HG SER A -1 38.299 22.504 44.970 1.00 0.00 H new ATOM 21 N HIS A 0 35.749 25.936 45.885 1.00 0.00 N ATOM 22 CA HIS A 0 36.140 27.336 46.129 1.00 0.00 C ATOM 23 C HIS A 0 35.257 28.316 45.330 1.00 0.00 C ATOM 24 O HIS A 0 34.528 27.902 44.426 1.00 0.00 O ATOM 25 CB HIS A 0 37.634 27.513 45.803 1.00 0.00 C ATOM 26 CG HIS A 0 38.060 27.015 44.437 1.00 0.00 C ATOM 27 ND1 HIS A 0 37.748 27.607 43.210 1.00 0.00 N ATOM 28 CD2 HIS A 0 38.833 25.914 44.207 1.00 0.00 C ATOM 29 CE1 HIS A 0 38.348 26.852 42.272 1.00 0.00 C ATOM 30 NE2 HIS A 0 39.000 25.827 42.844 1.00 0.00 N ATOM 0 H HIS A 0 35.300 25.811 44.978 1.00 0.00 H new ATOM 0 HA HIS A 0 35.984 27.571 47.182 1.00 0.00 H new ATOM 0 HB2 HIS A 0 37.883 28.571 45.880 1.00 0.00 H new ATOM 0 HB3 HIS A 0 38.219 26.992 46.561 1.00 0.00 H new ATOM 0 HD2 HIS A 0 39.235 25.242 44.950 1.00 0.00 H new ATOM 0 HE1 HIS A 0 38.311 27.043 41.210 1.00 0.00 H new ATOM 0 HE2 HIS A 0 39.529 25.107 42.352 1.00 0.00 H new ATOM 38 N MET A 1 35.286 29.609 45.691 1.00 0.00 N ATOM 39 CA MET A 1 34.456 30.662 45.076 1.00 0.00 C ATOM 40 C MET A 1 35.215 31.547 44.073 1.00 0.00 C ATOM 41 O MET A 1 34.757 31.701 42.945 1.00 0.00 O ATOM 42 CB MET A 1 33.790 31.515 46.169 1.00 0.00 C ATOM 43 CG MET A 1 32.640 30.773 46.867 1.00 0.00 C ATOM 44 SD MET A 1 31.158 30.579 45.834 1.00 0.00 S ATOM 45 CE MET A 1 30.068 29.716 47.001 1.00 0.00 C ATOM 0 H MET A 1 35.896 29.959 46.430 1.00 0.00 H new ATOM 0 HA MET A 1 33.691 30.151 44.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 34.537 31.801 46.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.410 32.436 45.727 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.989 29.787 47.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.370 31.312 47.775 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.108 29.518 46.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.527 28.773 47.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.914 30.338 47.883 1.00 0.00 H new ATOM 55 N VAL A 2 36.366 32.123 44.457 1.00 0.00 N ATOM 56 CA VAL A 2 37.284 32.892 43.578 1.00 0.00 C ATOM 57 C VAL A 2 36.560 33.964 42.730 1.00 0.00 C ATOM 58 O VAL A 2 36.620 33.986 41.503 1.00 0.00 O ATOM 59 CB VAL A 2 38.200 31.954 42.748 1.00 0.00 C ATOM 60 CG1 VAL A 2 39.384 32.698 42.106 1.00 0.00 C ATOM 61 CG2 VAL A 2 38.824 30.852 43.619 1.00 0.00 C ATOM 0 H VAL A 2 36.701 32.069 45.419 1.00 0.00 H new ATOM 0 HA VAL A 2 37.943 33.463 44.232 1.00 0.00 H new ATOM 0 HB VAL A 2 37.545 31.539 41.982 1.00 0.00 H new ATOM 0 HG11 VAL A 2 39.991 31.994 41.538 1.00 0.00 H new ATOM 0 HG12 VAL A 2 39.008 33.474 41.439 1.00 0.00 H new ATOM 0 HG13 VAL A 2 39.993 33.155 42.886 1.00 0.00 H new ATOM 0 HG21 VAL A 2 39.458 30.216 43.002 1.00 0.00 H new ATOM 0 HG22 VAL A 2 39.424 31.307 44.407 1.00 0.00 H new ATOM 0 HG23 VAL A 2 38.033 30.250 44.067 1.00 0.00 H new ATOM 71 N ILE A 3 35.842 34.875 43.399 1.00 0.00 N ATOM 72 CA ILE A 3 34.998 35.918 42.767 1.00 0.00 C ATOM 73 C ILE A 3 35.776 37.055 42.056 1.00 0.00 C ATOM 74 O ILE A 3 35.158 37.949 41.469 1.00 0.00 O ATOM 75 CB ILE A 3 33.992 36.485 43.801 1.00 0.00 C ATOM 76 CG1 ILE A 3 34.701 37.198 44.978 1.00 0.00 C ATOM 77 CG2 ILE A 3 33.040 35.379 44.292 1.00 0.00 C ATOM 78 CD1 ILE A 3 33.752 37.949 45.920 1.00 0.00 C ATOM 0 H ILE A 3 35.826 34.915 44.418 1.00 0.00 H new ATOM 0 HA ILE A 3 34.463 35.415 41.962 1.00 0.00 H new ATOM 0 HB ILE A 3 33.396 37.246 43.298 1.00 0.00 H new ATOM 0 HG12 ILE A 3 35.257 36.459 45.554 1.00 0.00 H new ATOM 0 HG13 ILE A 3 35.429 37.903 44.576 1.00 0.00 H new ATOM 0 HG21 ILE A 3 32.341 35.796 45.017 1.00 0.00 H new ATOM 0 HG22 ILE A 3 32.486 34.974 43.445 1.00 0.00 H new ATOM 0 HG23 ILE A 3 33.618 34.583 44.761 1.00 0.00 H new ATOM 0 HD11 ILE A 3 34.328 38.420 46.717 1.00 0.00 H new ATOM 0 HD12 ILE A 3 33.214 38.714 45.360 1.00 0.00 H new ATOM 0 HD13 ILE A 3 33.039 37.247 46.354 1.00 0.00 H new ATOM 90 N ARG A 4 37.115 37.043 42.110 1.00 0.00 N ATOM 91 CA ARG A 4 38.037 38.104 41.645 1.00 0.00 C ATOM 92 C ARG A 4 38.685 37.806 40.277 1.00 0.00 C ATOM 93 O ARG A 4 38.339 36.839 39.604 1.00 0.00 O ATOM 94 CB ARG A 4 39.067 38.339 42.775 1.00 0.00 C ATOM 95 CG ARG A 4 38.454 39.168 43.918 1.00 0.00 C ATOM 96 CD ARG A 4 39.281 39.132 45.210 1.00 0.00 C ATOM 97 NE ARG A 4 40.651 39.655 45.030 1.00 0.00 N ATOM 98 CZ ARG A 4 41.585 39.724 45.960 1.00 0.00 C ATOM 99 NH1 ARG A 4 41.364 39.362 47.194 1.00 0.00 N ATOM 100 NH2 ARG A 4 42.775 40.165 45.667 1.00 0.00 N ATOM 0 H ARG A 4 37.620 36.248 42.502 1.00 0.00 H new ATOM 0 HA ARG A 4 37.477 39.020 41.454 1.00 0.00 H new ATOM 0 HB2 ARG A 4 39.413 37.380 43.162 1.00 0.00 H new ATOM 0 HB3 ARG A 4 39.940 38.855 42.375 1.00 0.00 H new ATOM 0 HG2 ARG A 4 38.350 40.203 43.591 1.00 0.00 H new ATOM 0 HG3 ARG A 4 37.451 38.798 44.128 1.00 0.00 H new ATOM 0 HD2 ARG A 4 38.773 39.716 45.977 1.00 0.00 H new ATOM 0 HD3 ARG A 4 39.334 38.106 45.573 1.00 0.00 H new ATOM 0 HE ARG A 4 40.898 39.994 44.100 1.00 0.00 H new ATOM 0 HH11 ARG A 4 40.445 39.012 47.466 1.00 0.00 H new ATOM 0 HH12 ARG A 4 42.110 39.429 47.887 1.00 0.00 H new ATOM 0 HH21 ARG A 4 42.989 40.460 44.714 1.00 0.00 H new ATOM 0 HH22 ARG A 4 43.492 40.216 46.390 1.00 0.00 H new ATOM 114 N GLU A 5 39.618 38.671 39.864 1.00 0.00 N ATOM 115 CA GLU A 5 40.427 38.622 38.623 1.00 0.00 C ATOM 116 C GLU A 5 39.643 38.824 37.299 1.00 0.00 C ATOM 117 O GLU A 5 40.217 38.788 36.209 1.00 0.00 O ATOM 118 CB GLU A 5 41.333 37.367 38.637 1.00 0.00 C ATOM 119 CG GLU A 5 42.645 37.477 37.835 1.00 0.00 C ATOM 120 CD GLU A 5 43.562 38.631 38.285 1.00 0.00 C ATOM 121 OE1 GLU A 5 43.627 38.942 39.500 1.00 0.00 O ATOM 122 OE2 GLU A 5 44.254 39.229 37.424 1.00 0.00 O ATOM 0 H GLU A 5 39.851 39.490 40.426 1.00 0.00 H new ATOM 0 HA GLU A 5 41.063 39.507 38.632 1.00 0.00 H new ATOM 0 HB2 GLU A 5 41.581 37.133 39.672 1.00 0.00 H new ATOM 0 HB3 GLU A 5 40.761 36.525 38.248 1.00 0.00 H new ATOM 0 HG2 GLU A 5 43.191 36.538 37.922 1.00 0.00 H new ATOM 0 HG3 GLU A 5 42.404 37.609 36.780 1.00 0.00 H new ATOM 129 N SER A 6 38.340 39.091 37.389 1.00 0.00 N ATOM 130 CA SER A 6 37.415 39.428 36.292 1.00 0.00 C ATOM 131 C SER A 6 36.191 40.173 36.856 1.00 0.00 C ATOM 132 O SER A 6 35.975 40.166 38.072 1.00 0.00 O ATOM 133 CB SER A 6 37.013 38.158 35.521 1.00 0.00 C ATOM 134 OG SER A 6 36.550 37.127 36.383 1.00 0.00 O ATOM 0 H SER A 6 37.864 39.078 38.291 1.00 0.00 H new ATOM 0 HA SER A 6 37.913 40.090 35.584 1.00 0.00 H new ATOM 0 HB2 SER A 6 36.232 38.405 34.801 1.00 0.00 H new ATOM 0 HB3 SER A 6 37.869 37.795 34.951 1.00 0.00 H new ATOM 0 HG SER A 6 36.305 36.341 35.851 1.00 0.00 H new ATOM 140 N VAL A 7 35.406 40.848 36.001 1.00 0.00 N ATOM 141 CA VAL A 7 34.274 41.708 36.431 1.00 0.00 C ATOM 142 C VAL A 7 32.920 41.298 35.833 1.00 0.00 C ATOM 143 O VAL A 7 32.000 40.983 36.590 1.00 0.00 O ATOM 144 CB VAL A 7 34.605 43.208 36.251 1.00 0.00 C ATOM 145 CG1 VAL A 7 34.878 43.641 34.804 1.00 0.00 C ATOM 146 CG2 VAL A 7 33.496 44.102 36.817 1.00 0.00 C ATOM 0 H VAL A 7 35.532 40.818 34.989 1.00 0.00 H new ATOM 0 HA VAL A 7 34.147 41.541 37.501 1.00 0.00 H new ATOM 0 HB VAL A 7 35.533 43.336 36.809 1.00 0.00 H new ATOM 0 HG11 VAL A 7 35.100 44.708 34.779 1.00 0.00 H new ATOM 0 HG12 VAL A 7 35.729 43.084 34.412 1.00 0.00 H new ATOM 0 HG13 VAL A 7 33.999 43.439 34.192 1.00 0.00 H new ATOM 0 HG21 VAL A 7 33.763 45.149 36.673 1.00 0.00 H new ATOM 0 HG22 VAL A 7 32.560 43.892 36.300 1.00 0.00 H new ATOM 0 HG23 VAL A 7 33.375 43.902 37.882 1.00 0.00 H new ATOM 156 N SER A 8 32.808 41.200 34.508 1.00 0.00 N ATOM 157 CA SER A 8 31.545 40.979 33.782 1.00 0.00 C ATOM 158 C SER A 8 31.580 39.668 32.992 1.00 0.00 C ATOM 159 O SER A 8 32.339 39.555 32.025 1.00 0.00 O ATOM 160 CB SER A 8 31.320 42.172 32.845 1.00 0.00 C ATOM 161 OG SER A 8 31.037 43.340 33.600 1.00 0.00 O ATOM 0 H SER A 8 33.614 41.274 33.887 1.00 0.00 H new ATOM 0 HA SER A 8 30.723 40.899 34.493 1.00 0.00 H new ATOM 0 HB2 SER A 8 32.205 42.333 32.230 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.494 41.960 32.166 1.00 0.00 H new ATOM 0 HG SER A 8 30.897 44.096 32.993 1.00 0.00 H new ATOM 167 N ARG A 9 30.802 38.654 33.413 1.00 0.00 N ATOM 168 CA ARG A 9 30.923 37.271 32.907 1.00 0.00 C ATOM 169 C ARG A 9 29.580 36.576 32.657 1.00 0.00 C ATOM 170 O ARG A 9 28.616 36.761 33.395 1.00 0.00 O ATOM 171 CB ARG A 9 31.796 36.383 33.827 1.00 0.00 C ATOM 172 CG ARG A 9 33.131 36.976 34.308 1.00 0.00 C ATOM 173 CD ARG A 9 32.997 37.897 35.534 1.00 0.00 C ATOM 174 NE ARG A 9 33.586 37.292 36.737 1.00 0.00 N ATOM 175 CZ ARG A 9 33.717 37.826 37.937 1.00 0.00 C ATOM 176 NH1 ARG A 9 33.092 38.908 38.306 1.00 0.00 N ATOM 177 NH2 ARG A 9 34.500 37.255 38.801 1.00 0.00 N ATOM 0 H ARG A 9 30.070 38.769 34.114 1.00 0.00 H new ATOM 0 HA ARG A 9 31.415 37.385 31.941 1.00 0.00 H new ATOM 0 HB2 ARG A 9 31.205 36.122 34.705 1.00 0.00 H new ATOM 0 HB3 ARG A 9 32.009 35.454 33.298 1.00 0.00 H new ATOM 0 HG2 ARG A 9 33.813 36.161 34.550 1.00 0.00 H new ATOM 0 HG3 ARG A 9 33.583 37.538 33.491 1.00 0.00 H new ATOM 0 HD2 ARG A 9 33.487 38.849 35.329 1.00 0.00 H new ATOM 0 HD3 ARG A 9 31.944 38.112 35.714 1.00 0.00 H new ATOM 0 HE ARG A 9 33.938 36.340 36.631 1.00 0.00 H new ATOM 0 HH11 ARG A 9 32.467 39.383 37.655 1.00 0.00 H new ATOM 0 HH12 ARG A 9 33.228 39.280 39.246 1.00 0.00 H new ATOM 0 HH21 ARG A 9 35.004 36.405 38.549 1.00 0.00 H new ATOM 0 HH22 ARG A 9 34.611 37.656 39.732 1.00 0.00 H new ATOM 191 N ILE A 10 29.555 35.704 31.653 1.00 0.00 N ATOM 192 CA ILE A 10 28.553 34.646 31.456 1.00 0.00 C ATOM 193 C ILE A 10 28.911 33.419 32.313 1.00 0.00 C ATOM 194 O ILE A 10 30.091 33.127 32.519 1.00 0.00 O ATOM 195 CB ILE A 10 28.463 34.281 29.951 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.842 35.446 29.144 1.00 0.00 C ATOM 197 CG2 ILE A 10 27.677 32.982 29.675 1.00 0.00 C ATOM 198 CD1 ILE A 10 28.177 35.415 27.648 1.00 0.00 C ATOM 0 H ILE A 10 30.262 35.711 30.918 1.00 0.00 H new ATOM 0 HA ILE A 10 27.574 35.004 31.775 1.00 0.00 H new ATOM 0 HB ILE A 10 29.489 34.105 29.627 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.759 35.421 29.264 1.00 0.00 H new ATOM 0 HG13 ILE A 10 28.188 36.391 29.564 1.00 0.00 H new ATOM 0 HG21 ILE A 10 27.656 32.791 28.602 1.00 0.00 H new ATOM 0 HG22 ILE A 10 28.162 32.148 30.183 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.657 33.088 30.045 1.00 0.00 H new ATOM 0 HD11 ILE A 10 27.706 36.263 27.152 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.257 35.472 27.516 1.00 0.00 H new ATOM 0 HD13 ILE A 10 27.806 34.488 27.211 1.00 0.00 H new ATOM 210 N TYR A 11 27.895 32.666 32.745 1.00 0.00 N ATOM 211 CA TYR A 11 28.004 31.326 33.333 1.00 0.00 C ATOM 212 C TYR A 11 26.940 30.378 32.735 1.00 0.00 C ATOM 213 O TYR A 11 25.828 30.802 32.413 1.00 0.00 O ATOM 214 CB TYR A 11 27.916 31.430 34.868 1.00 0.00 C ATOM 215 CG TYR A 11 27.431 30.178 35.577 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.268 29.048 35.669 1.00 0.00 C ATOM 217 CD2 TYR A 11 26.136 30.134 36.131 1.00 0.00 C ATOM 218 CE1 TYR A 11 27.820 27.894 36.340 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.689 28.988 36.814 1.00 0.00 C ATOM 220 CZ TYR A 11 26.545 27.870 36.942 1.00 0.00 C ATOM 221 OH TYR A 11 26.154 26.786 37.664 1.00 0.00 O ATOM 0 H TYR A 11 26.929 32.988 32.692 1.00 0.00 H new ATOM 0 HA TYR A 11 28.973 30.892 33.087 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.902 31.688 35.255 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.248 32.253 35.122 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.252 29.067 35.225 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.481 30.987 36.030 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.456 27.023 36.394 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.696 28.962 37.239 1.00 0.00 H new ATOM 0 HH TYR A 11 25.249 26.933 38.011 1.00 0.00 H new ATOM 231 N VAL A 12 27.275 29.092 32.601 1.00 0.00 N ATOM 232 CA VAL A 12 26.330 28.004 32.285 1.00 0.00 C ATOM 233 C VAL A 12 26.574 26.827 33.230 1.00 0.00 C ATOM 234 O VAL A 12 27.684 26.289 33.284 1.00 0.00 O ATOM 235 CB VAL A 12 26.421 27.550 30.815 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.374 26.468 30.508 1.00 0.00 C ATOM 237 CG2 VAL A 12 26.209 28.705 29.826 1.00 0.00 C ATOM 0 H VAL A 12 28.235 28.764 32.711 1.00 0.00 H new ATOM 0 HA VAL A 12 25.320 28.388 32.428 1.00 0.00 H new ATOM 0 HB VAL A 12 27.430 27.156 30.689 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.459 26.165 29.464 1.00 0.00 H new ATOM 0 HG12 VAL A 12 25.543 25.605 31.152 1.00 0.00 H new ATOM 0 HG13 VAL A 12 24.376 26.866 30.690 1.00 0.00 H new ATOM 0 HG21 VAL A 12 26.284 28.329 28.806 1.00 0.00 H new ATOM 0 HG22 VAL A 12 25.222 29.140 29.981 1.00 0.00 H new ATOM 0 HG23 VAL A 12 26.971 29.467 29.988 1.00 0.00 H new ATOM 247 N GLY A 13 25.537 26.417 33.958 1.00 0.00 N ATOM 248 CA GLY A 13 25.565 25.322 34.923 1.00 0.00 C ATOM 249 C GLY A 13 25.227 23.970 34.303 1.00 0.00 C ATOM 250 O GLY A 13 24.263 23.855 33.543 1.00 0.00 O ATOM 0 H GLY A 13 24.619 26.856 33.888 1.00 0.00 H new ATOM 0 HA2 GLY A 13 26.555 25.270 35.376 1.00 0.00 H new ATOM 0 HA3 GLY A 13 24.858 25.534 35.725 1.00 0.00 H new ATOM 254 N ASN A 14 25.994 22.935 34.661 1.00 0.00 N ATOM 255 CA ASN A 14 25.771 21.548 34.224 1.00 0.00 C ATOM 256 C ASN A 14 25.692 21.423 32.685 1.00 0.00 C ATOM 257 O ASN A 14 24.789 20.792 32.128 1.00 0.00 O ATOM 258 CB ASN A 14 24.556 20.947 34.960 1.00 0.00 C ATOM 259 CG ASN A 14 24.394 21.391 36.404 1.00 0.00 C ATOM 260 OD1 ASN A 14 23.567 22.233 36.725 1.00 0.00 O ATOM 261 ND2 ASN A 14 25.168 20.847 37.316 1.00 0.00 N ATOM 0 H ASN A 14 26.803 23.037 35.274 1.00 0.00 H new ATOM 0 HA ASN A 14 26.639 20.951 34.503 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.652 21.210 34.411 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.638 19.860 34.937 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.079 21.127 38.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.857 20.145 37.047 1.00 0.00 H new ATOM 268 N LEU A 15 26.626 22.090 32.003 1.00 0.00 N ATOM 269 CA LEU A 15 26.675 22.301 30.556 1.00 0.00 C ATOM 270 C LEU A 15 26.508 20.980 29.761 1.00 0.00 C ATOM 271 O LEU A 15 27.294 20.049 29.973 1.00 0.00 O ATOM 272 CB LEU A 15 28.032 22.970 30.272 1.00 0.00 C ATOM 273 CG LEU A 15 28.350 23.218 28.789 1.00 0.00 C ATOM 274 CD1 LEU A 15 27.686 24.494 28.273 1.00 0.00 C ATOM 275 CD2 LEU A 15 29.861 23.339 28.627 1.00 0.00 C ATOM 0 H LEU A 15 27.418 22.524 32.477 1.00 0.00 H new ATOM 0 HA LEU A 15 25.846 22.929 30.229 1.00 0.00 H new ATOM 0 HB2 LEU A 15 28.064 23.925 30.797 1.00 0.00 H new ATOM 0 HB3 LEU A 15 28.820 22.347 30.695 1.00 0.00 H new ATOM 0 HG LEU A 15 27.961 22.381 28.210 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.935 24.634 27.221 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.605 24.411 28.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.044 25.348 28.847 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.102 23.515 27.579 1.00 0.00 H new ATOM 0 HD22 LEU A 15 30.226 24.172 29.228 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.337 22.416 28.958 1.00 0.00 H new ATOM 287 N PRO A 16 25.529 20.879 28.834 1.00 0.00 N ATOM 288 CA PRO A 16 25.353 19.695 27.991 1.00 0.00 C ATOM 289 C PRO A 16 26.472 19.595 26.938 1.00 0.00 C ATOM 290 O PRO A 16 26.584 20.450 26.053 1.00 0.00 O ATOM 291 CB PRO A 16 23.960 19.848 27.369 1.00 0.00 C ATOM 292 CG PRO A 16 23.750 21.361 27.313 1.00 0.00 C ATOM 293 CD PRO A 16 24.483 21.856 28.560 1.00 0.00 C ATOM 0 HA PRO A 16 25.421 18.766 28.557 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.914 19.401 26.376 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.196 19.360 27.974 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.166 21.793 26.402 1.00 0.00 H new ATOM 0 HG3 PRO A 16 22.692 21.623 27.336 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.909 22.845 28.394 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.799 21.941 29.405 1.00 0.00 H new ATOM 301 N SER A 17 27.273 18.526 27.021 1.00 0.00 N ATOM 302 CA SER A 17 28.514 18.297 26.251 1.00 0.00 C ATOM 303 C SER A 17 29.619 19.349 26.481 1.00 0.00 C ATOM 304 O SER A 17 29.383 20.436 27.012 1.00 0.00 O ATOM 305 CB SER A 17 28.197 18.090 24.761 1.00 0.00 C ATOM 306 OG SER A 17 29.321 17.563 24.073 1.00 0.00 O ATOM 0 H SER A 17 27.068 17.755 27.657 1.00 0.00 H new ATOM 0 HA SER A 17 28.946 17.376 26.643 1.00 0.00 H new ATOM 0 HB2 SER A 17 27.350 17.412 24.656 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.903 19.039 24.312 1.00 0.00 H new ATOM 0 HG SER A 17 29.096 17.438 23.127 1.00 0.00 H new ATOM 312 N HIS A 18 30.865 19.026 26.112 1.00 0.00 N ATOM 313 CA HIS A 18 32.000 19.956 26.172 1.00 0.00 C ATOM 314 C HIS A 18 32.055 20.813 24.895 1.00 0.00 C ATOM 315 O HIS A 18 32.428 20.347 23.817 1.00 0.00 O ATOM 316 CB HIS A 18 33.308 19.197 26.478 1.00 0.00 C ATOM 317 CG HIS A 18 33.721 18.125 25.492 1.00 0.00 C ATOM 318 ND1 HIS A 18 34.723 18.250 24.524 1.00 0.00 N ATOM 319 CD2 HIS A 18 33.209 16.861 25.429 1.00 0.00 C ATOM 320 CE1 HIS A 18 34.776 17.068 23.887 1.00 0.00 C ATOM 321 NE2 HIS A 18 33.878 16.215 24.411 1.00 0.00 N ATOM 0 H HIS A 18 31.116 18.102 25.760 1.00 0.00 H new ATOM 0 HA HIS A 18 31.864 20.654 26.998 1.00 0.00 H new ATOM 0 HB2 HIS A 18 34.116 19.926 26.546 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.211 18.736 27.461 1.00 0.00 H new ATOM 0 HD2 HIS A 18 32.432 16.448 26.055 1.00 0.00 H new ATOM 0 HE1 HIS A 18 35.444 16.836 23.071 1.00 0.00 H new ATOM 0 HE2 HIS A 18 33.719 15.254 24.107 1.00 0.00 H new ATOM 329 N VAL A 19 31.637 22.078 25.005 1.00 0.00 N ATOM 330 CA VAL A 19 31.655 23.052 23.894 1.00 0.00 C ATOM 331 C VAL A 19 33.068 23.601 23.652 1.00 0.00 C ATOM 332 O VAL A 19 33.849 23.775 24.592 1.00 0.00 O ATOM 333 CB VAL A 19 30.637 24.196 24.107 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.219 23.652 24.333 1.00 0.00 C ATOM 335 CG2 VAL A 19 31.010 25.134 25.261 1.00 0.00 C ATOM 0 H VAL A 19 31.271 22.465 25.875 1.00 0.00 H new ATOM 0 HA VAL A 19 31.349 22.515 22.997 1.00 0.00 H new ATOM 0 HB VAL A 19 30.663 24.779 23.186 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.529 24.483 24.479 1.00 0.00 H new ATOM 0 HG12 VAL A 19 28.909 23.072 23.464 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.211 23.014 25.217 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.254 25.913 25.355 1.00 0.00 H new ATOM 0 HG22 VAL A 19 31.063 24.565 26.189 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.979 25.591 25.060 1.00 0.00 H new ATOM 345 N SER A 20 33.405 23.899 22.396 1.00 0.00 N ATOM 346 CA SER A 20 34.682 24.534 22.030 1.00 0.00 C ATOM 347 C SER A 20 34.640 26.053 22.229 1.00 0.00 C ATOM 348 O SER A 20 33.646 26.706 21.904 1.00 0.00 O ATOM 349 CB SER A 20 35.069 24.206 20.583 1.00 0.00 C ATOM 350 OG SER A 20 35.215 22.803 20.416 1.00 0.00 O ATOM 0 H SER A 20 32.800 23.708 21.597 1.00 0.00 H new ATOM 0 HA SER A 20 35.441 24.125 22.698 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.306 24.582 19.901 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.002 24.708 20.326 1.00 0.00 H new ATOM 0 HG SER A 20 35.460 22.608 19.488 1.00 0.00 H new ATOM 356 N SER A 21 35.747 26.628 22.705 1.00 0.00 N ATOM 357 CA SER A 21 35.916 28.063 22.995 1.00 0.00 C ATOM 358 C SER A 21 35.557 28.958 21.798 1.00 0.00 C ATOM 359 O SER A 21 34.624 29.761 21.864 1.00 0.00 O ATOM 360 CB SER A 21 37.372 28.293 23.436 1.00 0.00 C ATOM 361 OG SER A 21 38.285 27.744 22.487 1.00 0.00 O ATOM 0 H SER A 21 36.588 26.088 22.909 1.00 0.00 H new ATOM 0 HA SER A 21 35.225 28.342 23.791 1.00 0.00 H new ATOM 0 HB2 SER A 21 37.557 29.361 23.549 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.537 27.836 24.412 1.00 0.00 H new ATOM 0 HG SER A 21 39.204 27.904 22.787 1.00 0.00 H new ATOM 367 N ARG A 22 36.252 28.761 20.675 1.00 0.00 N ATOM 368 CA ARG A 22 36.056 29.464 19.395 1.00 0.00 C ATOM 369 C ARG A 22 34.675 29.260 18.753 1.00 0.00 C ATOM 370 O ARG A 22 34.208 30.148 18.041 1.00 0.00 O ATOM 371 CB ARG A 22 37.203 29.146 18.412 1.00 0.00 C ATOM 372 CG ARG A 22 37.417 27.673 18.007 1.00 0.00 C ATOM 373 CD ARG A 22 38.102 26.834 19.095 1.00 0.00 C ATOM 374 NE ARG A 22 38.570 25.531 18.585 1.00 0.00 N ATOM 375 CZ ARG A 22 39.266 24.636 19.267 1.00 0.00 C ATOM 376 NH1 ARG A 22 39.592 24.821 20.516 1.00 0.00 N ATOM 377 NH2 ARG A 22 39.652 23.531 18.699 1.00 0.00 N ATOM 0 H ARG A 22 37.005 28.074 20.626 1.00 0.00 H new ATOM 0 HA ARG A 22 36.086 30.526 19.637 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.033 29.722 17.502 1.00 0.00 H new ATOM 0 HB3 ARG A 22 38.131 29.510 18.852 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.452 27.226 17.768 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.019 27.638 17.099 1.00 0.00 H new ATOM 0 HD2 ARG A 22 38.949 27.389 19.499 1.00 0.00 H new ATOM 0 HD3 ARG A 22 37.406 26.671 19.917 1.00 0.00 H new ATOM 0 HE ARG A 22 38.336 25.299 17.620 1.00 0.00 H new ATOM 0 HH11 ARG A 22 39.310 25.676 20.996 1.00 0.00 H new ATOM 0 HH12 ARG A 22 40.129 24.111 21.013 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.418 23.351 17.723 1.00 0.00 H new ATOM 0 HH22 ARG A 22 40.188 22.845 19.230 1.00 0.00 H new ATOM 391 N ASP A 23 33.992 28.148 19.028 1.00 0.00 N ATOM 392 CA ASP A 23 32.620 27.916 18.543 1.00 0.00 C ATOM 393 C ASP A 23 31.586 28.732 19.337 1.00 0.00 C ATOM 394 O ASP A 23 30.711 29.363 18.738 1.00 0.00 O ATOM 395 CB ASP A 23 32.261 26.420 18.569 1.00 0.00 C ATOM 396 CG ASP A 23 33.046 25.540 17.574 1.00 0.00 C ATOM 397 OD1 ASP A 23 33.833 26.057 16.744 1.00 0.00 O ATOM 398 OD2 ASP A 23 32.847 24.303 17.610 1.00 0.00 O ATOM 0 H ASP A 23 34.367 27.383 19.590 1.00 0.00 H new ATOM 0 HA ASP A 23 32.589 28.257 17.508 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.429 26.040 19.577 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.196 26.314 18.361 1.00 0.00 H new ATOM 403 N VAL A 24 31.716 28.788 20.670 1.00 0.00 N ATOM 404 CA VAL A 24 30.889 29.669 21.515 1.00 0.00 C ATOM 405 C VAL A 24 31.168 31.136 21.202 1.00 0.00 C ATOM 406 O VAL A 24 30.227 31.912 21.048 1.00 0.00 O ATOM 407 CB VAL A 24 31.091 29.379 23.016 1.00 0.00 C ATOM 408 CG1 VAL A 24 30.325 30.362 23.915 1.00 0.00 C ATOM 409 CG2 VAL A 24 30.593 27.975 23.359 1.00 0.00 C ATOM 0 H VAL A 24 32.391 28.230 21.192 1.00 0.00 H new ATOM 0 HA VAL A 24 29.845 29.459 21.282 1.00 0.00 H new ATOM 0 HB VAL A 24 32.161 29.481 23.200 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.502 30.112 24.961 1.00 0.00 H new ATOM 0 HG12 VAL A 24 30.670 31.377 23.721 1.00 0.00 H new ATOM 0 HG13 VAL A 24 29.258 30.295 23.702 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.743 27.785 24.422 1.00 0.00 H new ATOM 0 HG22 VAL A 24 29.532 27.897 23.122 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.149 27.240 22.778 1.00 0.00 H new ATOM 419 N GLU A 25 32.438 31.517 21.018 1.00 0.00 N ATOM 420 CA GLU A 25 32.822 32.856 20.557 1.00 0.00 C ATOM 421 C GLU A 25 32.088 33.233 19.261 1.00 0.00 C ATOM 422 O GLU A 25 31.413 34.261 19.218 1.00 0.00 O ATOM 423 CB GLU A 25 34.348 32.916 20.374 1.00 0.00 C ATOM 424 CG GLU A 25 34.835 34.225 19.728 1.00 0.00 C ATOM 425 CD GLU A 25 36.365 34.330 19.570 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.110 33.357 19.832 1.00 0.00 O ATOM 427 OE2 GLU A 25 36.816 35.421 19.146 1.00 0.00 O ATOM 0 H GLU A 25 33.233 30.900 21.186 1.00 0.00 H new ATOM 0 HA GLU A 25 32.528 33.586 21.311 1.00 0.00 H new ATOM 0 HB2 GLU A 25 34.828 32.799 21.346 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.666 32.075 19.758 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.373 34.324 18.746 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.486 35.064 20.330 1.00 0.00 H new ATOM 434 N ASN A 26 32.167 32.394 18.221 1.00 0.00 N ATOM 435 CA ASN A 26 31.565 32.673 16.917 1.00 0.00 C ATOM 436 C ASN A 26 30.030 32.824 16.979 1.00 0.00 C ATOM 437 O ASN A 26 29.474 33.676 16.284 1.00 0.00 O ATOM 438 CB ASN A 26 31.995 31.564 15.945 1.00 0.00 C ATOM 439 CG ASN A 26 31.481 31.810 14.536 1.00 0.00 C ATOM 440 OD1 ASN A 26 30.517 31.206 14.084 1.00 0.00 O ATOM 441 ND2 ASN A 26 32.099 32.707 13.798 1.00 0.00 N ATOM 0 H ASN A 26 32.653 31.499 18.263 1.00 0.00 H new ATOM 0 HA ASN A 26 31.924 33.639 16.563 1.00 0.00 H new ATOM 0 HB2 ASN A 26 33.083 31.499 15.928 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.624 30.604 16.304 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.775 32.899 12.850 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.902 33.211 14.174 1.00 0.00 H new ATOM 448 N GLU A 27 29.343 32.061 17.837 1.00 0.00 N ATOM 449 CA GLU A 27 27.909 32.246 18.103 1.00 0.00 C ATOM 450 C GLU A 27 27.620 33.561 18.856 1.00 0.00 C ATOM 451 O GLU A 27 26.681 34.281 18.506 1.00 0.00 O ATOM 452 CB GLU A 27 27.361 31.016 18.856 1.00 0.00 C ATOM 453 CG GLU A 27 25.860 31.136 19.185 1.00 0.00 C ATOM 454 CD GLU A 27 25.235 29.850 19.770 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.721 28.725 19.495 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.214 29.955 20.491 1.00 0.00 O ATOM 0 H GLU A 27 29.764 31.298 18.367 1.00 0.00 H new ATOM 0 HA GLU A 27 27.389 32.331 17.149 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.526 30.123 18.252 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.921 30.883 19.781 1.00 0.00 H new ATOM 0 HG2 GLU A 27 25.719 31.951 19.895 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.321 31.408 18.277 1.00 0.00 H new ATOM 463 N PHE A 28 28.423 33.896 19.872 1.00 0.00 N ATOM 464 CA PHE A 28 28.174 35.034 20.763 1.00 0.00 C ATOM 465 C PHE A 28 28.645 36.402 20.236 1.00 0.00 C ATOM 466 O PHE A 28 28.210 37.419 20.781 1.00 0.00 O ATOM 467 CB PHE A 28 28.720 34.738 22.173 1.00 0.00 C ATOM 468 CG PHE A 28 27.766 33.937 23.046 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.429 32.606 22.730 1.00 0.00 C ATOM 470 CD2 PHE A 28 27.179 34.542 24.175 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.522 31.889 23.529 1.00 0.00 C ATOM 472 CE2 PHE A 28 26.270 33.826 24.977 1.00 0.00 C ATOM 473 CZ PHE A 28 25.942 32.499 24.657 1.00 0.00 C ATOM 0 H PHE A 28 29.272 33.379 20.101 1.00 0.00 H new ATOM 0 HA PHE A 28 27.090 35.138 20.808 1.00 0.00 H new ATOM 0 HB2 PHE A 28 29.659 34.192 22.081 1.00 0.00 H new ATOM 0 HB3 PHE A 28 28.947 35.681 22.670 1.00 0.00 H new ATOM 0 HD1 PHE A 28 27.872 32.133 21.866 1.00 0.00 H new ATOM 0 HD2 PHE A 28 27.428 35.562 24.427 1.00 0.00 H new ATOM 0 HE1 PHE A 28 26.270 30.869 23.277 1.00 0.00 H new ATOM 0 HE2 PHE A 28 25.824 34.298 25.840 1.00 0.00 H new ATOM 0 HZ PHE A 28 25.247 31.948 25.274 1.00 0.00 H new ATOM 483 N ARG A 29 29.451 36.485 19.163 1.00 0.00 N ATOM 484 CA ARG A 29 29.904 37.772 18.575 1.00 0.00 C ATOM 485 C ARG A 29 28.765 38.741 18.217 1.00 0.00 C ATOM 486 O ARG A 29 28.972 39.956 18.250 1.00 0.00 O ATOM 487 CB ARG A 29 30.791 37.519 17.337 1.00 0.00 C ATOM 488 CG ARG A 29 32.252 37.158 17.653 1.00 0.00 C ATOM 489 CD ARG A 29 33.058 38.325 18.238 1.00 0.00 C ATOM 490 NE ARG A 29 34.438 37.910 18.564 1.00 0.00 N ATOM 491 CZ ARG A 29 35.414 38.683 19.004 1.00 0.00 C ATOM 492 NH1 ARG A 29 35.275 39.971 19.146 1.00 0.00 N ATOM 493 NH2 ARG A 29 36.561 38.164 19.321 1.00 0.00 N ATOM 0 H ARG A 29 29.811 35.665 18.674 1.00 0.00 H new ATOM 0 HA ARG A 29 30.482 38.262 19.358 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.351 36.712 16.751 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.779 38.411 16.711 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.268 36.326 18.357 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.738 36.812 16.741 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.082 39.148 17.524 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.565 38.697 19.136 1.00 0.00 H new ATOM 0 HE ARG A 29 34.660 36.923 18.436 1.00 0.00 H new ATOM 0 HH11 ARG A 29 34.387 40.417 18.914 1.00 0.00 H new ATOM 0 HH12 ARG A 29 36.054 40.533 19.489 1.00 0.00 H new ATOM 0 HH21 ARG A 29 36.709 37.159 19.230 1.00 0.00 H new ATOM 0 HH22 ARG A 29 37.315 38.761 19.661 1.00 0.00 H new ATOM 507 N LYS A 30 27.549 38.246 17.941 1.00 0.00 N ATOM 508 CA LYS A 30 26.357 39.091 17.703 1.00 0.00 C ATOM 509 C LYS A 30 25.835 39.840 18.942 1.00 0.00 C ATOM 510 O LYS A 30 24.987 40.718 18.781 1.00 0.00 O ATOM 511 CB LYS A 30 25.247 38.277 17.008 1.00 0.00 C ATOM 512 CG LYS A 30 24.576 37.213 17.900 1.00 0.00 C ATOM 513 CD LYS A 30 23.037 37.272 17.908 1.00 0.00 C ATOM 514 CE LYS A 30 22.437 38.368 18.811 1.00 0.00 C ATOM 515 NZ LYS A 30 22.379 39.717 18.186 1.00 0.00 N ATOM 0 H LYS A 30 27.359 37.246 17.875 1.00 0.00 H new ATOM 0 HA LYS A 30 26.687 39.886 17.034 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.482 38.965 16.648 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.670 37.784 16.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.888 36.224 17.564 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.938 37.331 18.921 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.688 37.430 16.888 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.652 36.304 18.230 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.429 38.071 19.100 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.026 38.430 19.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.613 40.269 18.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.285 40.207 18.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.199 39.620 17.166 1.00 0.00 H new ATOM 529 N TYR A 31 26.306 39.513 20.151 1.00 0.00 N ATOM 530 CA TYR A 31 26.001 40.220 21.408 1.00 0.00 C ATOM 531 C TYR A 31 27.142 41.159 21.877 1.00 0.00 C ATOM 532 O TYR A 31 27.089 41.676 22.994 1.00 0.00 O ATOM 533 CB TYR A 31 25.625 39.220 22.516 1.00 0.00 C ATOM 534 CG TYR A 31 24.565 38.189 22.178 1.00 0.00 C ATOM 535 CD1 TYR A 31 23.198 38.529 22.210 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.949 36.868 21.884 1.00 0.00 C ATOM 537 CE1 TYR A 31 22.224 37.549 21.931 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.983 35.889 21.589 1.00 0.00 C ATOM 539 CZ TYR A 31 22.613 36.228 21.614 1.00 0.00 C ATOM 540 OH TYR A 31 21.664 35.294 21.335 1.00 0.00 O ATOM 0 H TYR A 31 26.933 38.721 20.290 1.00 0.00 H new ATOM 0 HA TYR A 31 25.145 40.862 21.200 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.529 38.691 22.817 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.284 39.786 23.383 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.897 39.539 22.448 1.00 0.00 H new ATOM 0 HD2 TYR A 31 25.996 36.603 21.885 1.00 0.00 H new ATOM 0 HE1 TYR A 31 21.176 37.809 21.960 1.00 0.00 H new ATOM 0 HE2 TYR A 31 24.288 34.882 21.344 1.00 0.00 H new ATOM 0 HH TYR A 31 22.097 34.437 21.136 1.00 0.00 H new ATOM 550 N GLY A 32 28.181 41.372 21.052 1.00 0.00 N ATOM 551 CA GLY A 32 29.305 42.285 21.320 1.00 0.00 C ATOM 552 C GLY A 32 30.689 41.627 21.251 1.00 0.00 C ATOM 553 O GLY A 32 30.837 40.485 20.809 1.00 0.00 O ATOM 0 H GLY A 32 28.264 40.899 20.152 1.00 0.00 H new ATOM 0 HA2 GLY A 32 29.270 43.105 20.602 1.00 0.00 H new ATOM 0 HA3 GLY A 32 29.173 42.722 22.310 1.00 0.00 H new ATOM 557 N ASN A 33 31.723 42.349 21.697 1.00 0.00 N ATOM 558 CA ASN A 33 33.103 41.847 21.750 1.00 0.00 C ATOM 559 C ASN A 33 33.393 41.082 23.054 1.00 0.00 C ATOM 560 O ASN A 33 33.499 41.658 24.138 1.00 0.00 O ATOM 561 CB ASN A 33 34.103 42.995 21.505 1.00 0.00 C ATOM 562 CG ASN A 33 34.212 43.421 20.048 1.00 0.00 C ATOM 563 OD1 ASN A 33 33.656 42.824 19.134 1.00 0.00 O ATOM 564 ND2 ASN A 33 34.978 44.453 19.773 1.00 0.00 N ATOM 0 H ASN A 33 31.626 43.307 22.035 1.00 0.00 H new ATOM 0 HA ASN A 33 33.229 41.121 20.947 1.00 0.00 H new ATOM 0 HB2 ASN A 33 33.805 43.856 22.103 1.00 0.00 H new ATOM 0 HB3 ASN A 33 35.087 42.687 21.857 1.00 0.00 H new ATOM 0 HD21 ASN A 33 35.105 44.750 18.806 1.00 0.00 H new ATOM 0 HD22 ASN A 33 35.445 44.957 20.527 1.00 0.00 H new ATOM 571 N ILE A 34 33.560 39.766 22.924 1.00 0.00 N ATOM 572 CA ILE A 34 34.063 38.843 23.952 1.00 0.00 C ATOM 573 C ILE A 34 35.552 39.124 24.227 1.00 0.00 C ATOM 574 O ILE A 34 36.326 39.351 23.292 1.00 0.00 O ATOM 575 CB ILE A 34 33.748 37.360 23.579 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.790 36.375 24.162 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.545 37.117 22.066 1.00 0.00 C ATOM 578 CD1 ILE A 34 34.562 34.898 23.834 1.00 0.00 C ATOM 0 H ILE A 34 33.337 39.285 22.053 1.00 0.00 H new ATOM 0 HA ILE A 34 33.539 39.016 24.892 1.00 0.00 H new ATOM 0 HB ILE A 34 32.786 37.158 24.049 1.00 0.00 H new ATOM 0 HG12 ILE A 34 35.777 36.661 23.798 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.805 36.490 25.246 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.331 36.062 21.892 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.710 37.721 21.709 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.451 37.396 21.528 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.349 34.298 24.291 1.00 0.00 H new ATOM 0 HD12 ILE A 34 33.594 34.584 24.224 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.581 34.758 22.753 1.00 0.00 H new ATOM 590 N LEU A 35 35.960 39.083 25.502 1.00 0.00 N ATOM 591 CA LEU A 35 37.358 39.236 25.919 1.00 0.00 C ATOM 592 C LEU A 35 38.096 37.883 25.899 1.00 0.00 C ATOM 593 O LEU A 35 39.089 37.746 25.181 1.00 0.00 O ATOM 594 CB LEU A 35 37.453 39.930 27.295 1.00 0.00 C ATOM 595 CG LEU A 35 37.007 41.407 27.402 1.00 0.00 C ATOM 596 CD1 LEU A 35 37.604 42.296 26.312 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.489 41.604 27.406 1.00 0.00 C ATOM 0 H LEU A 35 35.319 38.941 26.283 1.00 0.00 H new ATOM 0 HA LEU A 35 37.859 39.882 25.198 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.858 39.351 28.002 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.490 39.871 27.627 1.00 0.00 H new ATOM 0 HG LEU A 35 37.396 41.712 28.373 1.00 0.00 H new ATOM 0 HD11 LEU A 35 37.252 43.319 26.444 1.00 0.00 H new ATOM 0 HD12 LEU A 35 38.692 42.275 26.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.295 41.929 25.333 1.00 0.00 H new ATOM 0 HD21 LEU A 35 35.260 42.667 27.484 1.00 0.00 H new ATOM 0 HD22 LEU A 35 35.068 41.209 26.481 1.00 0.00 H new ATOM 0 HD23 LEU A 35 35.056 41.077 28.256 1.00 0.00 H new ATOM 609 N LYS A 36 37.592 36.880 26.633 1.00 0.00 N ATOM 610 CA LYS A 36 38.008 35.462 26.547 1.00 0.00 C ATOM 611 C LYS A 36 36.913 34.506 27.025 1.00 0.00 C ATOM 612 O LYS A 36 36.023 34.903 27.779 1.00 0.00 O ATOM 613 CB LYS A 36 39.365 35.222 27.261 1.00 0.00 C ATOM 614 CG LYS A 36 39.419 35.276 28.803 1.00 0.00 C ATOM 615 CD LYS A 36 38.965 33.983 29.513 1.00 0.00 C ATOM 616 CE LYS A 36 39.543 33.848 30.934 1.00 0.00 C ATOM 617 NZ LYS A 36 40.943 33.336 30.932 1.00 0.00 N ATOM 0 H LYS A 36 36.860 37.033 27.327 1.00 0.00 H new ATOM 0 HA LYS A 36 38.163 35.235 25.492 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.730 34.242 26.953 1.00 0.00 H new ATOM 0 HB3 LYS A 36 40.072 35.960 26.881 1.00 0.00 H new ATOM 0 HG2 LYS A 36 40.440 35.502 29.109 1.00 0.00 H new ATOM 0 HG3 LYS A 36 38.794 36.100 29.146 1.00 0.00 H new ATOM 0 HD2 LYS A 36 37.876 33.966 29.565 1.00 0.00 H new ATOM 0 HD3 LYS A 36 39.269 33.121 28.919 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.515 34.819 31.428 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.914 33.175 31.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.503 33.855 31.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.942 32.323 31.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.361 33.473 29.990 1.00 0.00 H new ATOM 631 N CYS A 37 37.001 33.242 26.622 1.00 0.00 N ATOM 632 CA CYS A 37 36.104 32.155 27.029 1.00 0.00 C ATOM 633 C CYS A 37 36.893 30.886 27.395 1.00 0.00 C ATOM 634 O CYS A 37 37.961 30.622 26.837 1.00 0.00 O ATOM 635 CB CYS A 37 35.080 31.866 25.919 1.00 0.00 C ATOM 636 SG CYS A 37 35.900 31.512 24.334 1.00 0.00 S ATOM 0 H CYS A 37 37.727 32.930 25.977 1.00 0.00 H new ATOM 0 HA CYS A 37 35.566 32.474 27.922 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.459 31.017 26.207 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.415 32.722 25.803 1.00 0.00 H new ATOM 0 HG CYS A 37 35.097 30.829 23.573 1.00 0.00 H new ATOM 642 N ASP A 38 36.351 30.088 28.317 1.00 0.00 N ATOM 643 CA ASP A 38 36.853 28.741 28.609 1.00 0.00 C ATOM 644 C ASP A 38 35.791 27.865 29.301 1.00 0.00 C ATOM 645 O ASP A 38 34.756 28.353 29.769 1.00 0.00 O ATOM 646 CB ASP A 38 38.153 28.809 29.439 1.00 0.00 C ATOM 647 CG ASP A 38 39.196 27.768 28.987 1.00 0.00 C ATOM 648 OD1 ASP A 38 38.806 26.685 28.486 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.412 28.019 29.152 1.00 0.00 O ATOM 0 H ASP A 38 35.548 30.358 28.885 1.00 0.00 H new ATOM 0 HA ASP A 38 37.082 28.264 27.656 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.582 29.808 29.356 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.917 28.650 30.491 1.00 0.00 H new ATOM 654 N VAL A 39 36.054 26.559 29.366 1.00 0.00 N ATOM 655 CA VAL A 39 35.138 25.539 29.902 1.00 0.00 C ATOM 656 C VAL A 39 35.856 24.672 30.936 1.00 0.00 C ATOM 657 O VAL A 39 36.939 24.140 30.673 1.00 0.00 O ATOM 658 CB VAL A 39 34.523 24.686 28.772 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.501 23.675 29.307 1.00 0.00 C ATOM 660 CG2 VAL A 39 33.812 25.557 27.728 1.00 0.00 C ATOM 0 H VAL A 39 36.936 26.165 29.038 1.00 0.00 H new ATOM 0 HA VAL A 39 34.313 26.047 30.401 1.00 0.00 H new ATOM 0 HB VAL A 39 35.360 24.158 28.314 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.093 23.096 28.478 1.00 0.00 H new ATOM 0 HG12 VAL A 39 33.989 23.003 30.013 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.693 24.206 29.810 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.392 24.921 26.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.011 26.120 28.208 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.527 26.250 27.285 1.00 0.00 H new ATOM 670 N LYS A 40 35.248 24.525 32.117 1.00 0.00 N ATOM 671 CA LYS A 40 35.769 23.760 33.266 1.00 0.00 C ATOM 672 C LYS A 40 34.873 22.555 33.577 1.00 0.00 C ATOM 673 O LYS A 40 33.772 22.445 33.035 1.00 0.00 O ATOM 674 CB LYS A 40 35.934 24.677 34.494 1.00 0.00 C ATOM 675 CG LYS A 40 36.685 25.998 34.213 1.00 0.00 C ATOM 676 CD LYS A 40 35.745 27.219 34.116 1.00 0.00 C ATOM 677 CE LYS A 40 35.549 27.986 35.438 1.00 0.00 C ATOM 678 NZ LYS A 40 35.310 27.096 36.601 1.00 0.00 N ATOM 0 H LYS A 40 34.342 24.951 32.312 1.00 0.00 H new ATOM 0 HA LYS A 40 36.753 23.372 33.004 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.946 24.913 34.890 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.467 24.129 35.271 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.414 26.170 35.005 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.243 25.901 33.281 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.140 27.906 33.368 1.00 0.00 H new ATOM 0 HD3 LYS A 40 34.772 26.884 33.758 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.432 28.596 35.631 1.00 0.00 H new ATOM 0 HE3 LYS A 40 34.706 28.669 35.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.685 27.574 37.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.861 26.215 36.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.216 26.874 37.060 1.00 0.00 H new ATOM 692 N LYS A 41 35.320 21.664 34.468 1.00 0.00 N ATOM 693 CA LYS A 41 34.525 20.534 34.990 1.00 0.00 C ATOM 694 C LYS A 41 34.869 20.175 36.436 1.00 0.00 C ATOM 695 O LYS A 41 36.009 20.363 36.871 1.00 0.00 O ATOM 696 CB LYS A 41 34.602 19.311 34.042 1.00 0.00 C ATOM 697 CG LYS A 41 35.874 18.440 34.109 1.00 0.00 C ATOM 698 CD LYS A 41 37.203 19.112 33.729 1.00 0.00 C ATOM 699 CE LYS A 41 37.201 19.628 32.281 1.00 0.00 C ATOM 700 NZ LYS A 41 38.536 20.159 31.888 1.00 0.00 N ATOM 0 H LYS A 41 36.262 21.704 34.858 1.00 0.00 H new ATOM 0 HA LYS A 41 33.487 20.865 35.015 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.744 18.671 34.248 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.493 19.671 33.019 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.968 18.055 35.125 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.730 17.580 33.455 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.395 19.942 34.408 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.018 18.400 33.858 1.00 0.00 H new ATOM 0 HE2 LYS A 41 36.917 18.820 31.606 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.451 20.412 32.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.499 20.499 30.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.796 20.946 32.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.247 19.404 31.967 1.00 0.00 H new ATOM 714 N THR A 42 33.891 19.655 37.174 1.00 0.00 N ATOM 715 CA THR A 42 34.075 19.067 38.517 1.00 0.00 C ATOM 716 C THR A 42 34.375 17.563 38.432 1.00 0.00 C ATOM 717 O THR A 42 33.987 16.892 37.474 1.00 0.00 O ATOM 718 CB THR A 42 32.871 19.364 39.434 1.00 0.00 C ATOM 719 OG1 THR A 42 32.999 18.684 40.664 1.00 0.00 O ATOM 720 CG2 THR A 42 31.519 18.942 38.861 1.00 0.00 C ATOM 0 H THR A 42 32.922 19.626 36.856 1.00 0.00 H new ATOM 0 HA THR A 42 34.945 19.543 38.970 1.00 0.00 H new ATOM 0 HB THR A 42 32.886 20.448 39.546 1.00 0.00 H new ATOM 0 HG1 THR A 42 32.226 18.887 41.232 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.730 19.188 39.571 1.00 0.00 H new ATOM 0 HG22 THR A 42 31.341 19.469 37.924 1.00 0.00 H new ATOM 0 HG23 THR A 42 31.521 17.867 38.679 1.00 0.00 H new ATOM 728 N VAL A 43 35.010 17.006 39.471 1.00 0.00 N ATOM 729 CA VAL A 43 35.192 15.552 39.669 1.00 0.00 C ATOM 730 C VAL A 43 33.852 14.791 39.746 1.00 0.00 C ATOM 731 O VAL A 43 33.794 13.605 39.420 1.00 0.00 O ATOM 732 CB VAL A 43 36.075 15.311 40.911 1.00 0.00 C ATOM 733 CG1 VAL A 43 35.391 15.701 42.231 1.00 0.00 C ATOM 734 CG2 VAL A 43 36.549 13.856 41.023 1.00 0.00 C ATOM 0 H VAL A 43 35.424 17.563 40.219 1.00 0.00 H new ATOM 0 HA VAL A 43 35.701 15.147 38.794 1.00 0.00 H new ATOM 0 HB VAL A 43 36.934 15.964 40.757 1.00 0.00 H new ATOM 0 HG11 VAL A 43 36.068 15.506 43.063 1.00 0.00 H new ATOM 0 HG12 VAL A 43 35.138 16.761 42.210 1.00 0.00 H new ATOM 0 HG13 VAL A 43 34.482 15.113 42.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 37.166 13.742 41.914 1.00 0.00 H new ATOM 0 HG22 VAL A 43 35.684 13.196 41.094 1.00 0.00 H new ATOM 0 HG23 VAL A 43 37.134 13.595 40.141 1.00 0.00 H new ATOM 744 N SER A 44 32.756 15.479 40.092 1.00 0.00 N ATOM 745 CA SER A 44 31.380 14.943 40.040 1.00 0.00 C ATOM 746 C SER A 44 30.862 14.701 38.599 1.00 0.00 C ATOM 747 O SER A 44 29.859 14.015 38.397 1.00 0.00 O ATOM 748 CB SER A 44 30.460 15.885 40.829 1.00 0.00 C ATOM 749 OG SER A 44 29.171 15.328 41.033 1.00 0.00 O ATOM 0 H SER A 44 32.797 16.443 40.423 1.00 0.00 H new ATOM 0 HA SER A 44 31.383 13.954 40.498 1.00 0.00 H new ATOM 0 HB2 SER A 44 30.914 16.109 41.794 1.00 0.00 H new ATOM 0 HB3 SER A 44 30.365 16.830 40.294 1.00 0.00 H new ATOM 0 HG SER A 44 28.942 14.747 40.277 1.00 0.00 H new ATOM 755 N GLY A 45 31.566 15.216 37.581 1.00 0.00 N ATOM 756 CA GLY A 45 31.330 14.964 36.150 1.00 0.00 C ATOM 757 C GLY A 45 30.580 16.068 35.392 1.00 0.00 C ATOM 758 O GLY A 45 30.557 16.045 34.160 1.00 0.00 O ATOM 0 H GLY A 45 32.351 15.848 37.738 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.293 14.806 35.665 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.768 14.036 36.052 1.00 0.00 H new ATOM 762 N ALA A 46 29.994 17.049 36.087 1.00 0.00 N ATOM 763 CA ALA A 46 29.360 18.214 35.466 1.00 0.00 C ATOM 764 C ALA A 46 30.394 19.195 34.871 1.00 0.00 C ATOM 765 O ALA A 46 31.451 19.433 35.462 1.00 0.00 O ATOM 766 CB ALA A 46 28.452 18.902 36.495 1.00 0.00 C ATOM 0 H ALA A 46 29.947 17.055 37.106 1.00 0.00 H new ATOM 0 HA ALA A 46 28.755 17.873 34.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.977 19.770 36.038 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.685 18.203 36.829 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.048 19.222 37.350 1.00 0.00 H new ATOM 772 N ALA A 47 30.069 19.782 33.714 1.00 0.00 N ATOM 773 CA ALA A 47 30.857 20.818 33.044 1.00 0.00 C ATOM 774 C ALA A 47 30.240 22.222 33.216 1.00 0.00 C ATOM 775 O ALA A 47 29.047 22.356 33.495 1.00 0.00 O ATOM 776 CB ALA A 47 31.026 20.430 31.569 1.00 0.00 C ATOM 0 H ALA A 47 29.221 19.539 33.202 1.00 0.00 H new ATOM 0 HA ALA A 47 31.841 20.878 33.510 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.612 21.193 31.057 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.541 19.472 31.502 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.046 20.349 31.099 1.00 0.00 H new ATOM 782 N PHE A 48 31.047 23.268 33.015 1.00 0.00 N ATOM 783 CA PHE A 48 30.657 24.672 33.191 1.00 0.00 C ATOM 784 C PHE A 48 31.354 25.585 32.168 1.00 0.00 C ATOM 785 O PHE A 48 32.583 25.643 32.140 1.00 0.00 O ATOM 786 CB PHE A 48 31.000 25.144 34.616 1.00 0.00 C ATOM 787 CG PHE A 48 30.611 24.207 35.744 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.293 24.196 36.229 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.573 23.349 36.314 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.930 23.335 37.281 1.00 0.00 C ATOM 791 CE2 PHE A 48 31.214 22.490 37.368 1.00 0.00 C ATOM 792 CZ PHE A 48 29.892 22.481 37.851 1.00 0.00 C ATOM 0 H PHE A 48 32.016 23.160 32.717 1.00 0.00 H new ATOM 0 HA PHE A 48 29.581 24.737 33.030 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.075 25.317 34.670 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.513 26.104 34.785 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.554 24.852 35.792 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.587 23.351 35.941 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.915 23.330 37.650 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.953 21.837 37.807 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.616 21.819 38.659 1.00 0.00 H new ATOM 802 N ALA A 49 30.591 26.314 31.349 1.00 0.00 N ATOM 803 CA ALA A 49 31.131 27.335 30.442 1.00 0.00 C ATOM 804 C ALA A 49 31.138 28.726 31.096 1.00 0.00 C ATOM 805 O ALA A 49 30.175 29.104 31.769 1.00 0.00 O ATOM 806 CB ALA A 49 30.335 27.344 29.131 1.00 0.00 C ATOM 0 H ALA A 49 29.577 26.214 31.295 1.00 0.00 H new ATOM 0 HA ALA A 49 32.168 27.082 30.221 1.00 0.00 H new ATOM 0 HB1 ALA A 49 30.742 28.104 28.464 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.408 26.366 28.655 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.289 27.568 29.342 1.00 0.00 H new ATOM 812 N PHE A 50 32.197 29.502 30.847 1.00 0.00 N ATOM 813 CA PHE A 50 32.341 30.894 31.290 1.00 0.00 C ATOM 814 C PHE A 50 32.958 31.763 30.187 1.00 0.00 C ATOM 815 O PHE A 50 33.905 31.348 29.510 1.00 0.00 O ATOM 816 CB PHE A 50 33.208 30.974 32.554 1.00 0.00 C ATOM 817 CG PHE A 50 32.614 30.440 33.840 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.617 29.055 34.108 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.153 31.338 34.821 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.208 28.582 35.367 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.750 30.862 36.081 1.00 0.00 C ATOM 822 CZ PHE A 50 31.797 29.484 36.360 1.00 0.00 C ATOM 0 H PHE A 50 33.002 29.170 30.316 1.00 0.00 H new ATOM 0 HA PHE A 50 31.344 31.272 31.516 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.135 30.434 32.361 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.475 32.019 32.714 1.00 0.00 H new ATOM 0 HD1 PHE A 50 32.933 28.358 33.346 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.109 32.395 34.605 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.210 27.521 35.570 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.404 31.554 36.835 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.517 29.121 37.338 1.00 0.00 H new ATOM 832 N ILE A 51 32.454 32.991 30.029 1.00 0.00 N ATOM 833 CA ILE A 51 32.881 33.957 28.999 1.00 0.00 C ATOM 834 C ILE A 51 32.925 35.365 29.598 1.00 0.00 C ATOM 835 O ILE A 51 31.915 35.837 30.115 1.00 0.00 O ATOM 836 CB ILE A 51 31.949 33.919 27.757 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.799 32.514 27.120 1.00 0.00 C ATOM 838 CG2 ILE A 51 32.441 34.921 26.703 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.556 31.756 27.604 1.00 0.00 C ATOM 0 H ILE A 51 31.715 33.356 30.630 1.00 0.00 H new ATOM 0 HA ILE A 51 33.880 33.678 28.663 1.00 0.00 H new ATOM 0 HB ILE A 51 30.957 34.195 28.116 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.753 32.618 26.036 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.687 31.924 27.347 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.783 34.889 25.835 1.00 0.00 H new ATOM 0 HG22 ILE A 51 32.435 35.926 27.126 1.00 0.00 H new ATOM 0 HG23 ILE A 51 33.455 34.661 26.399 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.513 30.781 27.119 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.610 31.622 28.684 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.662 32.326 27.353 1.00 0.00 H new ATOM 851 N GLU A 52 34.062 36.055 29.518 1.00 0.00 N ATOM 852 CA GLU A 52 34.187 37.466 29.919 1.00 0.00 C ATOM 853 C GLU A 52 33.723 38.400 28.782 1.00 0.00 C ATOM 854 O GLU A 52 34.130 38.219 27.629 1.00 0.00 O ATOM 855 CB GLU A 52 35.632 37.753 30.358 1.00 0.00 C ATOM 856 CG GLU A 52 35.779 39.157 30.965 1.00 0.00 C ATOM 857 CD GLU A 52 37.148 39.389 31.629 1.00 0.00 C ATOM 858 OE1 GLU A 52 38.191 38.980 31.060 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.181 40.015 32.715 1.00 0.00 O ATOM 0 H GLU A 52 34.932 35.652 29.171 1.00 0.00 H new ATOM 0 HA GLU A 52 33.535 37.662 30.770 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.944 37.007 31.089 1.00 0.00 H new ATOM 0 HB3 GLU A 52 36.298 37.657 29.500 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.631 39.902 30.183 1.00 0.00 H new ATOM 0 HG3 GLU A 52 34.993 39.311 31.704 1.00 0.00 H new ATOM 866 N PHE A 53 32.881 39.396 29.093 1.00 0.00 N ATOM 867 CA PHE A 53 32.142 40.176 28.084 1.00 0.00 C ATOM 868 C PHE A 53 32.052 41.678 28.420 1.00 0.00 C ATOM 869 O PHE A 53 32.038 42.065 29.589 1.00 0.00 O ATOM 870 CB PHE A 53 30.735 39.562 27.915 1.00 0.00 C ATOM 871 CG PHE A 53 30.176 39.316 26.520 1.00 0.00 C ATOM 872 CD1 PHE A 53 30.831 39.719 25.340 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.954 38.625 26.420 1.00 0.00 C ATOM 874 CE1 PHE A 53 30.302 39.374 24.086 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.408 38.309 25.165 1.00 0.00 C ATOM 876 CZ PHE A 53 29.098 38.666 23.995 1.00 0.00 C ATOM 0 H PHE A 53 32.691 39.686 30.052 1.00 0.00 H new ATOM 0 HA PHE A 53 32.695 40.120 27.147 1.00 0.00 H new ATOM 0 HB2 PHE A 53 30.733 38.606 28.439 1.00 0.00 H new ATOM 0 HB3 PHE A 53 30.032 40.212 28.436 1.00 0.00 H new ATOM 0 HD1 PHE A 53 31.743 40.295 25.400 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.430 38.334 27.319 1.00 0.00 H new ATOM 0 HE1 PHE A 53 30.827 39.657 23.186 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.461 37.793 25.100 1.00 0.00 H new ATOM 0 HZ PHE A 53 28.701 38.395 23.028 1.00 0.00 H new ATOM 886 N GLU A 54 31.986 42.535 27.393 1.00 0.00 N ATOM 887 CA GLU A 54 32.142 43.996 27.536 1.00 0.00 C ATOM 888 C GLU A 54 30.858 44.793 27.863 1.00 0.00 C ATOM 889 O GLU A 54 30.963 45.917 28.353 1.00 0.00 O ATOM 890 CB GLU A 54 32.867 44.547 26.294 1.00 0.00 C ATOM 891 CG GLU A 54 32.091 44.467 24.964 1.00 0.00 C ATOM 892 CD GLU A 54 31.200 45.682 24.629 1.00 0.00 C ATOM 893 OE1 GLU A 54 31.500 46.827 25.050 1.00 0.00 O ATOM 894 OE2 GLU A 54 30.226 45.501 23.861 1.00 0.00 O ATOM 0 H GLU A 54 31.822 42.236 26.432 1.00 0.00 H new ATOM 0 HA GLU A 54 32.744 44.147 28.432 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.122 45.590 26.480 1.00 0.00 H new ATOM 0 HB3 GLU A 54 33.806 44.006 26.177 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.809 44.333 24.155 1.00 0.00 H new ATOM 0 HG3 GLU A 54 31.464 43.576 24.985 1.00 0.00 H new ATOM 901 N ASP A 55 29.656 44.239 27.641 1.00 0.00 N ATOM 902 CA ASP A 55 28.378 44.923 27.926 1.00 0.00 C ATOM 903 C ASP A 55 27.279 43.958 28.406 1.00 0.00 C ATOM 904 O ASP A 55 26.820 43.087 27.665 1.00 0.00 O ATOM 905 CB ASP A 55 27.916 45.724 26.692 1.00 0.00 C ATOM 906 CG ASP A 55 26.632 46.551 26.907 1.00 0.00 C ATOM 907 OD1 ASP A 55 26.009 46.505 27.998 1.00 0.00 O ATOM 908 OD2 ASP A 55 26.243 47.284 25.971 1.00 0.00 O ATOM 0 H ASP A 55 29.539 43.301 27.258 1.00 0.00 H new ATOM 0 HA ASP A 55 28.558 45.613 28.750 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.719 46.396 26.390 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.752 45.032 25.866 1.00 0.00 H new ATOM 913 N ALA A 56 26.820 44.167 29.644 1.00 0.00 N ATOM 914 CA ALA A 56 25.754 43.407 30.286 1.00 0.00 C ATOM 915 C ALA A 56 24.413 43.457 29.532 1.00 0.00 C ATOM 916 O ALA A 56 23.699 42.454 29.484 1.00 0.00 O ATOM 917 CB ALA A 56 25.565 43.991 31.690 1.00 0.00 C ATOM 0 H ALA A 56 27.198 44.899 30.245 1.00 0.00 H new ATOM 0 HA ALA A 56 26.050 42.358 30.302 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.773 43.448 32.206 1.00 0.00 H new ATOM 0 HB2 ALA A 56 26.495 43.897 32.251 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.293 45.044 31.613 1.00 0.00 H new ATOM 923 N ARG A 57 24.048 44.613 28.961 1.00 0.00 N ATOM 924 CA ARG A 57 22.717 44.844 28.370 1.00 0.00 C ATOM 925 C ARG A 57 22.601 44.307 26.945 1.00 0.00 C ATOM 926 O ARG A 57 21.523 43.885 26.536 1.00 0.00 O ATOM 927 CB ARG A 57 22.337 46.335 28.447 1.00 0.00 C ATOM 928 CG ARG A 57 22.246 46.843 29.899 1.00 0.00 C ATOM 929 CD ARG A 57 23.492 47.611 30.371 1.00 0.00 C ATOM 930 NE ARG A 57 23.432 49.034 29.979 1.00 0.00 N ATOM 931 CZ ARG A 57 24.075 49.649 29.002 1.00 0.00 C ATOM 932 NH1 ARG A 57 24.932 49.061 28.221 1.00 0.00 N ATOM 933 NH2 ARG A 57 23.859 50.915 28.786 1.00 0.00 N ATOM 0 H ARG A 57 24.669 45.420 28.894 1.00 0.00 H new ATOM 0 HA ARG A 57 22.001 44.277 28.965 1.00 0.00 H new ATOM 0 HB2 ARG A 57 23.076 46.924 27.904 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.379 46.489 27.950 1.00 0.00 H new ATOM 0 HG2 ARG A 57 21.375 47.491 29.993 1.00 0.00 H new ATOM 0 HG3 ARG A 57 22.083 45.993 30.561 1.00 0.00 H new ATOM 0 HD2 ARG A 57 23.579 47.535 31.455 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.385 47.153 29.947 1.00 0.00 H new ATOM 0 HE ARG A 57 22.811 49.620 30.537 1.00 0.00 H new ATOM 0 HH11 ARG A 57 25.140 48.070 28.346 1.00 0.00 H new ATOM 0 HH12 ARG A 57 25.397 49.590 27.483 1.00 0.00 H new ATOM 0 HH21 ARG A 57 23.197 51.426 29.369 1.00 0.00 H new ATOM 0 HH22 ARG A 57 24.352 51.395 28.033 1.00 0.00 H new ATOM 947 N ASP A 58 23.712 44.256 26.211 1.00 0.00 N ATOM 948 CA ASP A 58 23.796 43.557 24.924 1.00 0.00 C ATOM 949 C ASP A 58 23.846 42.026 25.138 1.00 0.00 C ATOM 950 O ASP A 58 23.105 41.276 24.498 1.00 0.00 O ATOM 951 CB ASP A 58 25.000 44.107 24.139 1.00 0.00 C ATOM 952 CG ASP A 58 24.914 43.907 22.610 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.983 43.238 22.106 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.768 44.479 21.891 1.00 0.00 O ATOM 0 H ASP A 58 24.586 44.701 26.492 1.00 0.00 H new ATOM 0 HA ASP A 58 22.902 43.741 24.328 1.00 0.00 H new ATOM 0 HB2 ASP A 58 25.098 45.172 24.348 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.907 43.626 24.505 1.00 0.00 H new ATOM 959 N ALA A 59 24.624 41.560 26.127 1.00 0.00 N ATOM 960 CA ALA A 59 24.682 40.149 26.531 1.00 0.00 C ATOM 961 C ALA A 59 23.360 39.604 27.118 1.00 0.00 C ATOM 962 O ALA A 59 23.101 38.402 27.030 1.00 0.00 O ATOM 963 CB ALA A 59 25.829 39.985 27.536 1.00 0.00 C ATOM 0 H ALA A 59 25.238 42.162 26.675 1.00 0.00 H new ATOM 0 HA ALA A 59 24.856 39.557 25.633 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.891 38.943 27.850 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.768 40.279 27.067 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.644 40.616 28.405 1.00 0.00 H new ATOM 969 N ALA A 60 22.496 40.458 27.685 1.00 0.00 N ATOM 970 CA ALA A 60 21.212 40.055 28.271 1.00 0.00 C ATOM 971 C ALA A 60 20.263 39.373 27.262 1.00 0.00 C ATOM 972 O ALA A 60 19.479 38.501 27.647 1.00 0.00 O ATOM 973 CB ALA A 60 20.545 41.285 28.893 1.00 0.00 C ATOM 0 H ALA A 60 22.673 41.461 27.750 1.00 0.00 H new ATOM 0 HA ALA A 60 21.419 39.304 29.034 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.589 40.998 29.332 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.191 41.696 29.668 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.379 42.038 28.122 1.00 0.00 H new ATOM 979 N ASP A 61 20.358 39.710 25.972 1.00 0.00 N ATOM 980 CA ASP A 61 19.583 39.061 24.910 1.00 0.00 C ATOM 981 C ASP A 61 19.964 37.581 24.685 1.00 0.00 C ATOM 982 O ASP A 61 19.150 36.831 24.142 1.00 0.00 O ATOM 983 CB ASP A 61 19.692 39.855 23.595 1.00 0.00 C ATOM 984 CG ASP A 61 18.962 41.214 23.599 1.00 0.00 C ATOM 985 OD1 ASP A 61 18.107 41.470 24.480 1.00 0.00 O ATOM 986 OD2 ASP A 61 19.203 42.014 22.665 1.00 0.00 O ATOM 0 H ASP A 61 20.979 40.445 25.633 1.00 0.00 H new ATOM 0 HA ASP A 61 18.546 39.061 25.247 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.746 40.025 23.376 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.292 39.246 22.785 1.00 0.00 H new ATOM 991 N ALA A 62 21.151 37.144 25.129 1.00 0.00 N ATOM 992 CA ALA A 62 21.545 35.738 25.111 1.00 0.00 C ATOM 993 C ALA A 62 20.855 34.948 26.238 1.00 0.00 C ATOM 994 O ALA A 62 20.098 34.016 25.967 1.00 0.00 O ATOM 995 CB ALA A 62 23.074 35.624 25.187 1.00 0.00 C ATOM 0 H ALA A 62 21.865 37.764 25.512 1.00 0.00 H new ATOM 0 HA ALA A 62 21.216 35.294 24.172 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.362 34.573 25.173 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.520 36.133 24.333 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.428 36.085 26.109 1.00 0.00 H new ATOM 1001 N ILE A 63 21.065 35.334 27.508 1.00 0.00 N ATOM 1002 CA ILE A 63 20.549 34.570 28.662 1.00 0.00 C ATOM 1003 C ILE A 63 19.023 34.418 28.592 1.00 0.00 C ATOM 1004 O ILE A 63 18.522 33.313 28.794 1.00 0.00 O ATOM 1005 CB ILE A 63 21.065 35.156 30.002 1.00 0.00 C ATOM 1006 CG1 ILE A 63 20.897 34.201 31.212 1.00 0.00 C ATOM 1007 CG2 ILE A 63 20.517 36.557 30.313 1.00 0.00 C ATOM 1008 CD1 ILE A 63 19.526 34.101 31.900 1.00 0.00 C ATOM 0 H ILE A 63 21.589 36.171 27.764 1.00 0.00 H new ATOM 0 HA ILE A 63 20.946 33.556 28.615 1.00 0.00 H new ATOM 0 HB ILE A 63 22.138 35.266 29.842 1.00 0.00 H new ATOM 0 HG12 ILE A 63 21.173 33.200 30.881 1.00 0.00 H new ATOM 0 HG13 ILE A 63 21.623 34.498 31.968 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.921 36.903 31.265 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.811 37.247 29.522 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.429 36.517 30.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 19.584 33.390 32.725 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.239 35.080 32.284 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.781 33.762 31.180 1.00 0.00 H new ATOM 1020 N LYS A 64 18.286 35.462 28.190 1.00 0.00 N ATOM 1021 CA LYS A 64 16.813 35.431 28.090 1.00 0.00 C ATOM 1022 C LYS A 64 16.253 34.471 27.027 1.00 0.00 C ATOM 1023 O LYS A 64 15.076 34.123 27.115 1.00 0.00 O ATOM 1024 CB LYS A 64 16.264 36.864 27.956 1.00 0.00 C ATOM 1025 CG LYS A 64 16.537 37.561 26.611 1.00 0.00 C ATOM 1026 CD LYS A 64 15.437 37.346 25.558 1.00 0.00 C ATOM 1027 CE LYS A 64 15.773 38.132 24.285 1.00 0.00 C ATOM 1028 NZ LYS A 64 14.707 37.984 23.258 1.00 0.00 N ATOM 0 H LYS A 64 18.693 36.358 27.923 1.00 0.00 H new ATOM 0 HA LYS A 64 16.449 35.001 29.023 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.186 36.837 28.118 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.691 37.473 28.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.654 38.631 26.785 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.484 37.198 26.211 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.345 36.285 25.327 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.475 37.671 25.953 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.901 39.186 24.530 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.722 37.782 23.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.965 38.528 22.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.603 36.980 23.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.807 38.341 23.638 1.00 0.00 H new ATOM 1042 N GLU A 65 17.050 34.023 26.049 1.00 0.00 N ATOM 1043 CA GLU A 65 16.652 32.951 25.109 1.00 0.00 C ATOM 1044 C GLU A 65 17.212 31.563 25.487 1.00 0.00 C ATOM 1045 O GLU A 65 16.612 30.545 25.130 1.00 0.00 O ATOM 1046 CB GLU A 65 16.971 33.334 23.652 1.00 0.00 C ATOM 1047 CG GLU A 65 18.449 33.266 23.226 1.00 0.00 C ATOM 1048 CD GLU A 65 18.601 33.120 21.697 1.00 0.00 C ATOM 1049 OE1 GLU A 65 17.898 33.824 20.932 1.00 0.00 O ATOM 1050 OE2 GLU A 65 19.419 32.276 21.251 1.00 0.00 O ATOM 0 H GLU A 65 17.988 34.388 25.882 1.00 0.00 H new ATOM 0 HA GLU A 65 15.570 32.856 25.195 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.397 32.680 22.995 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.614 34.350 23.481 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.964 34.167 23.558 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.931 32.423 23.721 1.00 0.00 H new ATOM 1057 N LYS A 66 18.327 31.509 26.234 1.00 0.00 N ATOM 1058 CA LYS A 66 18.918 30.274 26.790 1.00 0.00 C ATOM 1059 C LYS A 66 18.295 29.846 28.138 1.00 0.00 C ATOM 1060 O LYS A 66 18.730 28.852 28.715 1.00 0.00 O ATOM 1061 CB LYS A 66 20.446 30.448 26.928 1.00 0.00 C ATOM 1062 CG LYS A 66 21.216 30.826 25.649 1.00 0.00 C ATOM 1063 CD LYS A 66 21.154 29.799 24.508 1.00 0.00 C ATOM 1064 CE LYS A 66 22.068 30.285 23.374 1.00 0.00 C ATOM 1065 NZ LYS A 66 22.097 29.347 22.224 1.00 0.00 N ATOM 0 H LYS A 66 18.859 32.345 26.476 1.00 0.00 H new ATOM 0 HA LYS A 66 18.695 29.470 26.089 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.635 31.216 27.679 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.861 29.517 27.313 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.828 31.776 25.280 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.262 30.989 25.911 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.475 28.819 24.861 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.130 29.690 24.150 1.00 0.00 H new ATOM 0 HE2 LYS A 66 21.729 31.263 23.032 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.080 30.415 23.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.815 29.659 21.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 22.332 28.392 22.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.164 29.332 21.764 1.00 0.00 H new ATOM 1079 N ASP A 67 17.325 30.607 28.657 1.00 0.00 N ATOM 1080 CA ASP A 67 16.755 30.485 30.012 1.00 0.00 C ATOM 1081 C ASP A 67 15.963 29.184 30.288 1.00 0.00 C ATOM 1082 O ASP A 67 15.804 28.309 29.429 1.00 0.00 O ATOM 1083 CB ASP A 67 15.906 31.733 30.351 1.00 0.00 C ATOM 1084 CG ASP A 67 14.526 31.839 29.671 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.219 31.091 28.712 1.00 0.00 O ATOM 1086 OD2 ASP A 67 13.716 32.680 30.133 1.00 0.00 O ATOM 0 H ASP A 67 16.893 31.361 28.123 1.00 0.00 H new ATOM 0 HA ASP A 67 17.616 30.422 30.678 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.756 31.759 31.430 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.484 32.619 30.088 1.00 0.00 H new ATOM 1091 N GLY A 68 15.468 29.057 31.529 1.00 0.00 N ATOM 1092 CA GLY A 68 14.796 27.865 32.056 1.00 0.00 C ATOM 1093 C GLY A 68 15.770 26.979 32.832 1.00 0.00 C ATOM 1094 O GLY A 68 16.141 25.895 32.374 1.00 0.00 O ATOM 0 H GLY A 68 15.528 29.809 32.215 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.975 28.165 32.707 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.359 27.297 31.234 1.00 0.00 H new ATOM 1098 N CYS A 69 16.216 27.459 33.997 1.00 0.00 N ATOM 1099 CA CYS A 69 17.155 26.757 34.872 1.00 0.00 C ATOM 1100 C CYS A 69 16.533 25.474 35.463 1.00 0.00 C ATOM 1101 O CYS A 69 15.536 25.516 36.192 1.00 0.00 O ATOM 1102 CB CYS A 69 17.678 27.736 35.945 1.00 0.00 C ATOM 1103 SG CYS A 69 16.339 28.605 36.820 1.00 0.00 S ATOM 0 H CYS A 69 15.927 28.366 34.364 1.00 0.00 H new ATOM 0 HA CYS A 69 18.011 26.414 34.290 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.282 27.187 36.668 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.333 28.469 35.473 1.00 0.00 H new ATOM 0 HG CYS A 69 16.849 29.407 37.706 1.00 0.00 H new ATOM 1109 N ASP A 70 17.122 24.318 35.151 1.00 0.00 N ATOM 1110 CA ASP A 70 16.671 23.006 35.632 1.00 0.00 C ATOM 1111 C ASP A 70 17.304 22.611 36.980 1.00 0.00 C ATOM 1112 O ASP A 70 18.516 22.731 37.177 1.00 0.00 O ATOM 1113 CB ASP A 70 16.930 21.921 34.577 1.00 0.00 C ATOM 1114 CG ASP A 70 15.996 21.969 33.353 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.868 22.513 33.440 1.00 0.00 O ATOM 1116 OD2 ASP A 70 16.368 21.390 32.306 1.00 0.00 O ATOM 0 H ASP A 70 17.941 24.264 34.546 1.00 0.00 H new ATOM 0 HA ASP A 70 15.598 23.090 35.801 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.961 22.008 34.233 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.834 20.944 35.051 1.00 0.00 H new ATOM 1121 N PHE A 71 16.457 22.090 37.871 1.00 0.00 N ATOM 1122 CA PHE A 71 16.778 21.542 39.194 1.00 0.00 C ATOM 1123 C PHE A 71 15.788 20.408 39.551 1.00 0.00 C ATOM 1124 O PHE A 71 14.793 20.208 38.848 1.00 0.00 O ATOM 1125 CB PHE A 71 16.775 22.674 40.237 1.00 0.00 C ATOM 1126 CG PHE A 71 15.421 23.308 40.513 1.00 0.00 C ATOM 1127 CD1 PHE A 71 14.935 24.337 39.682 1.00 0.00 C ATOM 1128 CD2 PHE A 71 14.646 22.876 41.608 1.00 0.00 C ATOM 1129 CE1 PHE A 71 13.679 24.919 39.935 1.00 0.00 C ATOM 1130 CE2 PHE A 71 13.392 23.454 41.861 1.00 0.00 C ATOM 1131 CZ PHE A 71 12.904 24.477 41.024 1.00 0.00 C ATOM 0 H PHE A 71 15.458 22.035 37.674 1.00 0.00 H new ATOM 0 HA PHE A 71 17.777 21.106 39.186 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.170 22.282 41.174 1.00 0.00 H new ATOM 0 HB3 PHE A 71 17.460 23.453 39.903 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.529 24.680 38.848 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.019 22.096 42.256 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.309 25.705 39.293 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.801 23.114 42.698 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.938 24.921 41.217 1.00 0.00 H new ATOM 1141 N GLU A 72 16.046 19.672 40.641 1.00 0.00 N ATOM 1142 CA GLU A 72 15.223 18.556 41.156 1.00 0.00 C ATOM 1143 C GLU A 72 14.973 17.433 40.118 1.00 0.00 C ATOM 1144 O GLU A 72 13.945 17.382 39.438 1.00 0.00 O ATOM 1145 CB GLU A 72 13.937 19.096 41.818 1.00 0.00 C ATOM 1146 CG GLU A 72 13.175 18.013 42.604 1.00 0.00 C ATOM 1147 CD GLU A 72 11.843 18.527 43.196 1.00 0.00 C ATOM 1148 OE1 GLU A 72 11.761 19.696 43.643 1.00 0.00 O ATOM 1149 OE2 GLU A 72 10.867 17.739 43.245 1.00 0.00 O ATOM 0 H GLU A 72 16.870 19.842 41.218 1.00 0.00 H new ATOM 0 HA GLU A 72 15.801 18.055 41.933 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.195 19.914 42.491 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.284 19.509 41.050 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.973 17.168 41.946 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.808 17.644 43.411 1.00 0.00 H new ATOM 1156 N GLY A 73 15.946 16.522 39.982 1.00 0.00 N ATOM 1157 CA GLY A 73 15.920 15.400 39.029 1.00 0.00 C ATOM 1158 C GLY A 73 16.403 15.742 37.610 1.00 0.00 C ATOM 1159 O GLY A 73 16.636 14.837 36.804 1.00 0.00 O ATOM 0 H GLY A 73 16.796 16.544 40.546 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.539 14.594 39.423 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.901 15.018 38.968 1.00 0.00 H new ATOM 1163 N ASN A 74 16.618 17.028 37.317 1.00 0.00 N ATOM 1164 CA ASN A 74 17.291 17.551 36.122 1.00 0.00 C ATOM 1165 C ASN A 74 18.357 18.579 36.536 1.00 0.00 C ATOM 1166 O ASN A 74 18.194 19.263 37.549 1.00 0.00 O ATOM 1167 CB ASN A 74 16.252 18.155 35.157 1.00 0.00 C ATOM 1168 CG ASN A 74 15.303 17.122 34.572 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.690 16.260 33.794 1.00 0.00 O ATOM 1170 ND2 ASN A 74 14.032 17.183 34.902 1.00 0.00 N ATOM 0 H ASN A 74 16.311 17.774 37.941 1.00 0.00 H new ATOM 0 HA ASN A 74 17.796 16.741 35.596 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.673 18.912 35.685 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.773 18.661 34.344 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.371 16.513 34.510 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.707 17.900 35.550 1.00 0.00 H new ATOM 1177 N LYS A 75 19.450 18.686 35.774 1.00 0.00 N ATOM 1178 CA LYS A 75 20.615 19.547 36.057 1.00 0.00 C ATOM 1179 C LYS A 75 20.968 20.364 34.808 1.00 0.00 C ATOM 1180 O LYS A 75 21.571 19.824 33.880 1.00 0.00 O ATOM 1181 CB LYS A 75 21.816 18.678 36.507 1.00 0.00 C ATOM 1182 CG LYS A 75 21.965 18.482 38.024 1.00 0.00 C ATOM 1183 CD LYS A 75 20.947 17.518 38.662 1.00 0.00 C ATOM 1184 CE LYS A 75 20.112 18.189 39.765 1.00 0.00 C ATOM 1185 NZ LYS A 75 20.921 18.485 40.978 1.00 0.00 N ATOM 0 H LYS A 75 19.557 18.157 34.908 1.00 0.00 H new ATOM 0 HA LYS A 75 20.371 20.237 36.865 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.727 17.697 36.039 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.731 19.131 36.126 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.970 18.113 38.230 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.876 19.453 38.511 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.281 17.134 37.889 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.476 16.662 39.081 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.683 19.115 39.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.280 17.539 40.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.319 18.937 41.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.310 17.600 41.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.701 19.126 40.727 1.00 0.00 H new ATOM 1199 N LEU A 76 20.580 21.644 34.776 1.00 0.00 N ATOM 1200 CA LEU A 76 20.909 22.593 33.694 1.00 0.00 C ATOM 1201 C LEU A 76 20.608 24.048 34.122 1.00 0.00 C ATOM 1202 O LEU A 76 19.637 24.662 33.674 1.00 0.00 O ATOM 1203 CB LEU A 76 20.181 22.178 32.383 1.00 0.00 C ATOM 1204 CG LEU A 76 21.082 22.295 31.141 1.00 0.00 C ATOM 1205 CD1 LEU A 76 20.364 21.701 29.929 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.464 23.741 30.818 1.00 0.00 C ATOM 0 H LEU A 76 20.016 22.063 35.515 1.00 0.00 H new ATOM 0 HA LEU A 76 21.979 22.555 33.492 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.830 21.150 32.477 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.299 22.805 32.248 1.00 0.00 H new ATOM 0 HG LEU A 76 21.998 21.749 31.365 1.00 0.00 H new ATOM 0 HD11 LEU A 76 21.003 21.785 29.050 1.00 0.00 H new ATOM 0 HD12 LEU A 76 20.141 20.651 30.117 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.435 22.244 29.755 1.00 0.00 H new ATOM 0 HD21 LEU A 76 22.100 23.760 29.933 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.561 24.322 30.630 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.004 24.172 31.661 1.00 0.00 H new ATOM 1218 N ARG A 77 21.395 24.603 35.054 1.00 0.00 N ATOM 1219 CA ARG A 77 21.239 25.993 35.531 1.00 0.00 C ATOM 1220 C ARG A 77 21.782 27.026 34.527 1.00 0.00 C ATOM 1221 O ARG A 77 22.743 26.764 33.804 1.00 0.00 O ATOM 1222 CB ARG A 77 21.843 26.121 36.944 1.00 0.00 C ATOM 1223 CG ARG A 77 21.673 27.524 37.558 1.00 0.00 C ATOM 1224 CD ARG A 77 21.910 27.529 39.074 1.00 0.00 C ATOM 1225 NE ARG A 77 20.760 26.955 39.805 1.00 0.00 N ATOM 1226 CZ ARG A 77 19.664 27.587 40.193 1.00 0.00 C ATOM 1227 NH1 ARG A 77 19.480 28.860 39.982 1.00 0.00 N ATOM 1228 NH2 ARG A 77 18.710 26.942 40.800 1.00 0.00 N ATOM 0 H ARG A 77 22.162 24.102 35.503 1.00 0.00 H new ATOM 0 HA ARG A 77 20.177 26.226 35.604 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.374 25.387 37.599 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.905 25.878 36.901 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.370 28.214 37.081 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.668 27.891 37.348 1.00 0.00 H new ATOM 0 HD2 ARG A 77 22.810 26.959 39.304 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.084 28.550 39.413 1.00 0.00 H new ATOM 0 HE ARG A 77 20.818 25.963 40.035 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.195 29.406 39.502 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.621 29.310 40.297 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.804 25.942 40.980 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.868 27.436 41.096 1.00 0.00 H new ATOM 1242 N VAL A 78 21.191 28.221 34.504 1.00 0.00 N ATOM 1243 CA VAL A 78 21.584 29.355 33.641 1.00 0.00 C ATOM 1244 C VAL A 78 21.363 30.680 34.375 1.00 0.00 C ATOM 1245 O VAL A 78 20.252 30.989 34.803 1.00 0.00 O ATOM 1246 CB VAL A 78 20.844 29.369 32.278 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.742 28.806 31.174 1.00 0.00 C ATOM 1248 CG2 VAL A 78 19.510 28.608 32.270 1.00 0.00 C ATOM 0 H VAL A 78 20.396 28.442 35.104 1.00 0.00 H new ATOM 0 HA VAL A 78 22.644 29.227 33.421 1.00 0.00 H new ATOM 0 HB VAL A 78 20.609 30.418 32.095 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.206 28.824 30.225 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.643 29.413 31.093 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.017 27.779 31.417 1.00 0.00 H new ATOM 0 HG21 VAL A 78 19.062 28.670 31.278 1.00 0.00 H new ATOM 0 HG22 VAL A 78 19.686 27.563 32.524 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.834 29.051 33.002 1.00 0.00 H new ATOM 1258 N GLU A 79 22.437 31.452 34.524 1.00 0.00 N ATOM 1259 CA GLU A 79 22.500 32.776 35.162 1.00 0.00 C ATOM 1260 C GLU A 79 23.808 33.464 34.731 1.00 0.00 C ATOM 1261 O GLU A 79 24.785 32.774 34.442 1.00 0.00 O ATOM 1262 CB GLU A 79 22.439 32.616 36.695 1.00 0.00 C ATOM 1263 CG GLU A 79 22.375 33.959 37.438 1.00 0.00 C ATOM 1264 CD GLU A 79 22.074 33.762 38.937 1.00 0.00 C ATOM 1265 OE1 GLU A 79 22.828 33.015 39.608 1.00 0.00 O ATOM 1266 OE2 GLU A 79 21.105 34.372 39.449 1.00 0.00 O ATOM 0 H GLU A 79 23.350 31.154 34.181 1.00 0.00 H new ATOM 0 HA GLU A 79 21.654 33.390 34.853 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.565 32.020 36.958 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.315 32.062 37.032 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.322 34.485 37.322 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.605 34.587 36.991 1.00 0.00 H new ATOM 1273 N VAL A 80 23.868 34.799 34.677 1.00 0.00 N ATOM 1274 CA VAL A 80 25.062 35.525 34.204 1.00 0.00 C ATOM 1275 C VAL A 80 25.507 36.624 35.188 1.00 0.00 C ATOM 1276 O VAL A 80 24.778 37.603 35.377 1.00 0.00 O ATOM 1277 CB VAL A 80 24.879 36.033 32.756 1.00 0.00 C ATOM 1278 CG1 VAL A 80 24.744 34.859 31.771 1.00 0.00 C ATOM 1279 CG2 VAL A 80 23.684 36.967 32.521 1.00 0.00 C ATOM 0 H VAL A 80 23.098 35.407 34.957 1.00 0.00 H new ATOM 0 HA VAL A 80 25.888 34.814 34.175 1.00 0.00 H new ATOM 0 HB VAL A 80 25.783 36.617 32.582 1.00 0.00 H new ATOM 0 HG11 VAL A 80 24.616 35.245 30.760 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.642 34.243 31.814 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.877 34.255 32.041 1.00 0.00 H new ATOM 0 HG21 VAL A 80 23.653 37.261 31.472 1.00 0.00 H new ATOM 0 HG22 VAL A 80 22.761 36.449 32.780 1.00 0.00 H new ATOM 0 HG23 VAL A 80 23.789 37.855 33.144 1.00 0.00 H new ATOM 1289 N PRO A 81 26.673 36.493 35.859 1.00 0.00 N ATOM 1290 CA PRO A 81 27.189 37.507 36.787 1.00 0.00 C ATOM 1291 C PRO A 81 27.717 38.772 36.071 1.00 0.00 C ATOM 1292 O PRO A 81 28.909 38.924 35.784 1.00 0.00 O ATOM 1293 CB PRO A 81 28.247 36.787 37.630 1.00 0.00 C ATOM 1294 CG PRO A 81 28.768 35.709 36.687 1.00 0.00 C ATOM 1295 CD PRO A 81 27.514 35.300 35.921 1.00 0.00 C ATOM 0 HA PRO A 81 26.397 37.906 37.421 1.00 0.00 H new ATOM 0 HB2 PRO A 81 29.041 37.465 37.945 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.817 36.357 38.535 1.00 0.00 H new ATOM 0 HG2 PRO A 81 29.542 36.092 36.022 1.00 0.00 H new ATOM 0 HG3 PRO A 81 29.202 34.870 37.231 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.765 34.947 34.921 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.997 34.484 36.426 1.00 0.00 H new ATOM 1303 N PHE A 82 26.801 39.716 35.842 1.00 0.00 N ATOM 1304 CA PHE A 82 27.044 41.092 35.376 1.00 0.00 C ATOM 1305 C PHE A 82 26.581 42.127 36.431 1.00 0.00 C ATOM 1306 O PHE A 82 25.949 43.137 36.110 1.00 0.00 O ATOM 1307 CB PHE A 82 26.375 41.314 34.010 1.00 0.00 C ATOM 1308 CG PHE A 82 27.029 40.629 32.827 1.00 0.00 C ATOM 1309 CD1 PHE A 82 26.650 39.327 32.459 1.00 0.00 C ATOM 1310 CD2 PHE A 82 27.963 41.327 32.042 1.00 0.00 C ATOM 1311 CE1 PHE A 82 27.198 38.729 31.310 1.00 0.00 C ATOM 1312 CE2 PHE A 82 28.515 40.728 30.895 1.00 0.00 C ATOM 1313 CZ PHE A 82 28.134 39.427 30.532 1.00 0.00 C ATOM 0 H PHE A 82 25.808 39.533 35.984 1.00 0.00 H new ATOM 0 HA PHE A 82 28.116 41.237 35.246 1.00 0.00 H new ATOM 0 HB2 PHE A 82 25.342 40.974 34.075 1.00 0.00 H new ATOM 0 HB3 PHE A 82 26.346 42.386 33.813 1.00 0.00 H new ATOM 0 HD1 PHE A 82 25.936 38.784 33.060 1.00 0.00 H new ATOM 0 HD2 PHE A 82 28.258 42.328 32.321 1.00 0.00 H new ATOM 0 HE1 PHE A 82 26.898 37.731 31.026 1.00 0.00 H new ATOM 0 HE2 PHE A 82 29.231 41.269 30.294 1.00 0.00 H new ATOM 0 HZ PHE A 82 28.561 38.964 29.655 1.00 0.00 H new ATOM 1323 N ASN A 83 26.863 41.868 37.712 1.00 0.00 N ATOM 1324 CA ASN A 83 26.385 42.639 38.875 1.00 0.00 C ATOM 1325 C ASN A 83 27.090 44.008 39.069 1.00 0.00 C ATOM 1326 O ASN A 83 27.437 44.393 40.189 1.00 0.00 O ATOM 1327 CB ASN A 83 26.453 41.734 40.124 1.00 0.00 C ATOM 1328 CG ASN A 83 25.721 40.414 39.944 1.00 0.00 C ATOM 1329 OD1 ASN A 83 26.281 39.426 39.495 1.00 0.00 O ATOM 1330 ND2 ASN A 83 24.448 40.355 40.265 1.00 0.00 N ATOM 0 H ASN A 83 27.455 41.083 37.983 1.00 0.00 H new ATOM 0 HA ASN A 83 25.349 42.925 38.692 1.00 0.00 H new ATOM 0 HB2 ASN A 83 27.497 41.534 40.364 1.00 0.00 H new ATOM 0 HB3 ASN A 83 26.027 42.266 40.975 1.00 0.00 H new ATOM 0 HD21 ASN A 83 23.930 39.485 40.139 1.00 0.00 H new ATOM 0 HD22 ASN A 83 23.978 41.179 40.640 1.00 0.00 H new ATOM 1337 N ALA A 84 27.322 44.741 37.973 1.00 0.00 N ATOM 1338 CA ALA A 84 28.067 46.003 37.908 1.00 0.00 C ATOM 1339 C ALA A 84 27.472 47.029 36.910 1.00 0.00 C ATOM 1340 O ALA A 84 28.150 47.989 36.529 1.00 0.00 O ATOM 1341 CB ALA A 84 29.536 45.662 37.601 1.00 0.00 C ATOM 0 H ALA A 84 26.976 44.453 37.058 1.00 0.00 H new ATOM 0 HA ALA A 84 27.991 46.509 38.871 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.119 46.581 37.546 1.00 0.00 H new ATOM 0 HB2 ALA A 84 29.935 45.026 38.392 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.596 45.137 36.648 1.00 0.00 H new ATOM 1347 N ARG A 85 26.220 46.828 36.454 1.00 0.00 N ATOM 1348 CA ARG A 85 25.580 47.614 35.371 1.00 0.00 C ATOM 1349 C ARG A 85 24.094 47.952 35.602 1.00 0.00 C ATOM 1350 O ARG A 85 23.382 48.298 34.657 1.00 0.00 O ATOM 1351 CB ARG A 85 25.831 46.900 34.021 1.00 0.00 C ATOM 1352 CG ARG A 85 26.194 47.858 32.874 1.00 0.00 C ATOM 1353 CD ARG A 85 27.599 48.450 33.053 1.00 0.00 C ATOM 1354 NE ARG A 85 27.984 49.304 31.910 1.00 0.00 N ATOM 1355 CZ ARG A 85 29.106 49.993 31.798 1.00 0.00 C ATOM 1356 NH1 ARG A 85 30.021 49.982 32.727 1.00 0.00 N ATOM 1357 NH2 ARG A 85 29.337 50.715 30.738 1.00 0.00 N ATOM 0 H ARG A 85 25.611 46.103 36.832 1.00 0.00 H new ATOM 0 HA ARG A 85 26.052 48.597 35.361 1.00 0.00 H new ATOM 0 HB2 ARG A 85 26.636 46.176 34.147 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.938 46.339 33.745 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.142 47.325 31.924 1.00 0.00 H new ATOM 0 HG3 ARG A 85 25.462 48.665 32.828 1.00 0.00 H new ATOM 0 HD2 ARG A 85 27.632 49.036 33.972 1.00 0.00 H new ATOM 0 HD3 ARG A 85 28.323 47.642 33.163 1.00 0.00 H new ATOM 0 HE ARG A 85 27.323 49.367 31.136 1.00 0.00 H new ATOM 0 HH11 ARG A 85 29.882 49.429 33.573 1.00 0.00 H new ATOM 0 HH12 ARG A 85 30.876 50.526 32.608 1.00 0.00 H new ATOM 0 HH21 ARG A 85 28.649 50.752 29.986 1.00 0.00 H new ATOM 0 HH22 ARG A 85 30.206 51.244 30.660 1.00 0.00 H new ATOM 1371 N GLU A 86 23.625 47.858 36.850 1.00 0.00 N ATOM 1372 CA GLU A 86 22.233 48.110 37.292 1.00 0.00 C ATOM 1373 C GLU A 86 22.167 48.693 38.717 1.00 0.00 C ATOM 1374 O GLU A 86 22.918 48.225 39.601 1.00 0.00 O ATOM 1375 CB GLU A 86 21.419 46.805 37.158 1.00 0.00 C ATOM 1376 CG GLU A 86 19.963 46.874 37.660 1.00 0.00 C ATOM 1377 CD GLU A 86 19.122 48.005 37.026 1.00 0.00 C ATOM 1378 OE1 GLU A 86 19.070 48.126 35.775 1.00 0.00 O ATOM 1379 OE2 GLU A 86 18.477 48.779 37.779 1.00 0.00 O ATOM 1380 OXT GLU A 86 21.362 49.630 38.932 1.00 0.00 O ATOM 0 H GLU A 86 24.230 47.591 37.626 1.00 0.00 H new ATOM 0 HA GLU A 86 21.792 48.871 36.648 1.00 0.00 H new ATOM 0 HB2 GLU A 86 21.409 46.510 36.109 1.00 0.00 H new ATOM 0 HB3 GLU A 86 21.936 46.017 37.706 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.477 45.920 37.459 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.970 47.006 38.742 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.195 26.368 44.249 1.00 0.00 O ATOM 1389 C5' A B 101 23.059 25.884 42.915 1.00 0.00 C ATOM 1390 C4' A B 101 24.194 26.331 41.970 1.00 0.00 C ATOM 1391 O4' A B 101 24.057 27.703 41.594 1.00 0.00 O ATOM 1392 C3' A B 101 25.600 26.133 42.563 1.00 0.00 C ATOM 1393 O3' A B 101 26.435 25.691 41.496 1.00 0.00 O ATOM 1394 C2' A B 101 25.897 27.549 43.089 1.00 0.00 C ATOM 1395 O2' A B 101 27.276 27.894 43.192 1.00 0.00 O ATOM 1396 C1' A B 101 25.201 28.414 42.046 1.00 0.00 C ATOM 1397 N9 A B 101 24.929 29.789 42.550 1.00 0.00 N ATOM 1398 C8 A B 101 25.805 30.848 42.533 1.00 0.00 C ATOM 1399 N7 A B 101 25.313 31.976 42.979 1.00 0.00 N ATOM 1400 C5 A B 101 23.991 31.632 43.300 1.00 0.00 C ATOM 1401 C6 A B 101 22.877 32.344 43.821 1.00 0.00 C ATOM 1402 N6 A B 101 22.873 33.624 44.154 1.00 0.00 N ATOM 1403 N1 A B 101 21.706 31.744 44.039 1.00 0.00 N ATOM 1404 C2 A B 101 21.616 30.455 43.745 1.00 0.00 C ATOM 1405 N3 A B 101 22.558 29.659 43.251 1.00 0.00 N ATOM 1406 C4 A B 101 23.745 30.306 43.047 1.00 0.00 C ATOM 0 H5' A B 101 22.106 26.226 42.510 1.00 0.00 H new ATOM 0 H5'' A B 101 23.024 24.795 42.936 1.00 0.00 H new ATOM 0 H4' A B 101 24.096 25.687 41.096 1.00 0.00 H new ATOM 0 H3' A B 101 25.735 25.396 43.354 1.00 0.00 H new ATOM 0 H2' A B 101 25.555 27.667 44.117 1.00 0.00 H new ATOM 0 HO2' A B 101 27.384 28.857 43.044 1.00 0.00 H new ATOM 0 HO5' A B 101 22.443 26.049 44.791 1.00 0.00 H new ATOM 0 H1' A B 101 25.848 28.591 41.187 1.00 0.00 H new ATOM 0 H8 A B 101 26.821 30.756 42.179 1.00 0.00 H new ATOM 0 H61 A B 101 22.024 34.053 44.522 1.00 0.00 H new ATOM 0 H62 A B 101 23.719 34.182 44.043 1.00 0.00 H new ATOM 0 H2 A B 101 20.657 29.994 43.930 1.00 0.00 H new ATOM 1419 P C B 102 27.864 24.986 41.739 1.00 0.00 P ATOM 1420 OP1 C B 102 27.918 23.785 40.873 1.00 0.00 O ATOM 1421 OP2 C B 102 28.082 24.822 43.198 1.00 0.00 O ATOM 1422 O5' C B 102 28.944 26.053 41.199 1.00 0.00 O ATOM 1423 C5' C B 102 28.715 26.752 39.989 1.00 0.00 C ATOM 1424 C4' C B 102 29.917 27.580 39.503 1.00 0.00 C ATOM 1425 O4' C B 102 29.393 28.634 38.692 1.00 0.00 O ATOM 1426 C3' C B 102 30.735 28.292 40.592 1.00 0.00 C ATOM 1427 O3' C B 102 32.008 28.627 40.034 1.00 0.00 O ATOM 1428 C2' C B 102 29.864 29.539 40.803 1.00 0.00 C ATOM 1429 O2' C B 102 30.489 30.591 41.537 1.00 0.00 O ATOM 1430 C1' C B 102 29.595 29.886 39.339 1.00 0.00 C ATOM 1431 N1 C B 102 28.450 30.824 39.170 1.00 0.00 N ATOM 1432 C2 C B 102 28.711 32.176 38.906 1.00 0.00 C ATOM 1433 O2 C B 102 29.851 32.581 38.677 1.00 0.00 O ATOM 1434 N3 C B 102 27.701 33.081 38.907 1.00 0.00 N ATOM 1435 C4 C B 102 26.474 32.659 39.118 1.00 0.00 C ATOM 1436 N4 C B 102 25.552 33.576 39.134 1.00 0.00 N ATOM 1437 C5 C B 102 26.137 31.294 39.329 1.00 0.00 C ATOM 1438 C6 C B 102 27.158 30.400 39.339 1.00 0.00 C ATOM 0 H5' C B 102 27.861 27.416 40.122 1.00 0.00 H new ATOM 0 H5'' C B 102 28.444 26.035 39.214 1.00 0.00 H new ATOM 0 H4' C B 102 30.579 26.867 39.011 1.00 0.00 H new ATOM 0 H3' C B 102 30.934 27.736 41.508 1.00 0.00 H new ATOM 0 H2' C B 102 28.981 29.377 41.421 1.00 0.00 H new ATOM 0 HO2' C B 102 29.868 31.344 41.623 1.00 0.00 H new ATOM 0 H1' C B 102 30.430 30.428 38.896 1.00 0.00 H new ATOM 0 H41 C B 102 24.578 33.317 39.293 1.00 0.00 H new ATOM 0 H42 C B 102 25.803 34.554 38.988 1.00 0.00 H new ATOM 0 H5 C B 102 25.113 30.982 39.475 1.00 0.00 H new ATOM 0 H6 C B 102 26.951 29.350 39.481 1.00 0.00 H new ATOM 1450 P A B 103 33.316 27.723 40.233 1.00 0.00 P ATOM 1451 OP1 A B 103 33.836 27.366 38.889 1.00 0.00 O ATOM 1452 OP2 A B 103 33.043 26.636 41.207 1.00 0.00 O ATOM 1453 O5' A B 103 34.259 28.830 40.942 1.00 0.00 O ATOM 1454 C5' A B 103 35.605 29.115 40.581 1.00 0.00 C ATOM 1455 C4' A B 103 35.873 29.518 39.114 1.00 0.00 C ATOM 1456 O4' A B 103 34.832 30.278 38.497 1.00 0.00 O ATOM 1457 C3' A B 103 37.181 30.316 38.975 1.00 0.00 C ATOM 1458 O3' A B 103 37.918 29.886 37.833 1.00 0.00 O ATOM 1459 C2' A B 103 36.636 31.733 38.778 1.00 0.00 C ATOM 1460 O2' A B 103 37.552 32.635 38.167 1.00 0.00 O ATOM 1461 C1' A B 103 35.414 31.435 37.916 1.00 0.00 C ATOM 1462 N9 A B 103 34.465 32.576 37.836 1.00 0.00 N ATOM 1463 C8 A B 103 34.143 33.321 36.730 1.00 0.00 C ATOM 1464 N7 A B 103 33.283 34.284 36.950 1.00 0.00 N ATOM 1465 C5 A B 103 32.981 34.129 38.313 1.00 0.00 C ATOM 1466 C6 A B 103 32.128 34.789 39.238 1.00 0.00 C ATOM 1467 N6 A B 103 31.368 35.831 38.958 1.00 0.00 N ATOM 1468 N1 A B 103 32.062 34.421 40.516 1.00 0.00 N ATOM 1469 C2 A B 103 32.794 33.381 40.888 1.00 0.00 C ATOM 1470 N3 A B 103 33.635 32.669 40.150 1.00 0.00 N ATOM 1471 C4 A B 103 33.689 33.089 38.856 1.00 0.00 C ATOM 0 H5' A B 103 36.208 28.235 40.805 1.00 0.00 H new ATOM 0 H5'' A B 103 35.964 29.919 41.223 1.00 0.00 H new ATOM 0 H4' A B 103 35.936 28.561 38.596 1.00 0.00 H new ATOM 0 H3' A B 103 37.869 30.211 39.814 1.00 0.00 H new ATOM 0 H2' A B 103 36.423 32.257 39.710 1.00 0.00 H new ATOM 0 HO2' A B 103 37.624 32.430 37.211 1.00 0.00 H new ATOM 0 H1' A B 103 35.693 31.268 36.876 1.00 0.00 H new ATOM 0 H8 A B 103 34.565 33.129 35.755 1.00 0.00 H new ATOM 0 H61 A B 103 30.783 36.246 39.684 1.00 0.00 H new ATOM 0 H62 A B 103 31.365 36.222 38.016 1.00 0.00 H new ATOM 0 H2 A B 103 32.693 33.076 41.919 1.00 0.00 H new ATOM 1483 P U B 104 38.797 28.551 37.888 1.00 0.00 P ATOM 1484 OP1 U B 104 37.903 27.415 37.544 1.00 0.00 O ATOM 1485 OP2 U B 104 39.512 28.520 39.184 1.00 0.00 O ATOM 1486 O5' U B 104 39.903 28.771 36.729 1.00 0.00 O ATOM 1487 C5' U B 104 39.901 28.042 35.507 1.00 0.00 C ATOM 1488 C4' U B 104 39.528 28.859 34.256 1.00 0.00 C ATOM 1489 O4' U B 104 38.245 29.484 34.308 1.00 0.00 O ATOM 1490 C3' U B 104 40.512 29.995 33.937 1.00 0.00 C ATOM 1491 O3' U B 104 41.698 29.531 33.305 1.00 0.00 O ATOM 1492 C2' U B 104 39.667 30.859 32.988 1.00 0.00 C ATOM 1493 O2' U B 104 39.954 30.667 31.606 1.00 0.00 O ATOM 1494 C1' U B 104 38.238 30.372 33.200 1.00 0.00 C ATOM 1495 N1 U B 104 37.295 31.524 33.195 1.00 0.00 N ATOM 1496 C2 U B 104 37.321 32.458 34.243 1.00 0.00 C ATOM 1497 O2 U B 104 37.932 32.294 35.297 1.00 0.00 O ATOM 1498 N3 U B 104 36.631 33.637 34.048 1.00 0.00 N ATOM 1499 C4 U B 104 35.919 33.973 32.920 1.00 0.00 C ATOM 1500 O4 U B 104 35.366 35.061 32.842 1.00 0.00 O ATOM 1501 C5 U B 104 35.903 32.952 31.898 1.00 0.00 C ATOM 1502 C6 U B 104 36.555 31.772 32.057 1.00 0.00 C ATOM 0 H5' U B 104 39.202 27.211 35.600 1.00 0.00 H new ATOM 0 H5'' U B 104 40.891 27.611 35.358 1.00 0.00 H new ATOM 0 H4' U B 104 39.547 28.085 33.489 1.00 0.00 H new ATOM 0 H3' U B 104 40.880 30.516 34.821 1.00 0.00 H new ATOM 0 H2' U B 104 39.859 31.909 33.209 1.00 0.00 H new ATOM 0 HO2' U B 104 40.693 30.031 31.511 1.00 0.00 H new ATOM 0 H1' U B 104 37.842 29.771 32.381 1.00 0.00 H new ATOM 0 H3 U B 104 36.651 34.319 34.806 1.00 0.00 H new ATOM 0 H5 U B 104 35.358 33.132 30.983 1.00 0.00 H new ATOM 0 H6 U B 104 36.494 31.019 31.285 1.00 0.00 H new ATOM 1513 P C B 105 42.942 30.509 33.001 1.00 0.00 P ATOM 1514 OP1 C B 105 42.483 31.922 33.003 1.00 0.00 O ATOM 1515 OP2 C B 105 43.603 29.979 31.788 1.00 0.00 O ATOM 1516 O5' C B 105 43.892 30.275 34.284 1.00 0.00 O ATOM 1517 C5' C B 105 45.067 31.049 34.510 1.00 0.00 C ATOM 1518 C4' C B 105 46.370 30.303 34.145 1.00 0.00 C ATOM 1519 O4' C B 105 46.402 29.918 32.775 1.00 0.00 O ATOM 1520 C3' C B 105 47.602 31.176 34.430 1.00 0.00 C ATOM 1521 O3' C B 105 48.579 30.442 35.159 1.00 0.00 O ATOM 1522 C2' C B 105 48.087 31.609 33.030 1.00 0.00 C ATOM 1523 O2' C B 105 49.492 31.525 32.818 1.00 0.00 O ATOM 1524 C1' C B 105 47.406 30.630 32.069 1.00 0.00 C ATOM 1525 N1 C B 105 46.854 31.304 30.852 1.00 0.00 N ATOM 1526 C2 C B 105 47.335 30.931 29.586 1.00 0.00 C ATOM 1527 O2 C B 105 48.165 30.030 29.444 1.00 0.00 O ATOM 1528 N3 C B 105 46.893 31.557 28.462 1.00 0.00 N ATOM 1529 C4 C B 105 46.007 32.525 28.594 1.00 0.00 C ATOM 1530 N4 C B 105 45.606 33.082 27.482 1.00 0.00 N ATOM 1531 C5 C B 105 45.469 32.939 29.840 1.00 0.00 C ATOM 1532 C6 C B 105 45.911 32.300 30.952 1.00 0.00 C ATOM 0 H5' C B 105 45.105 31.341 35.560 1.00 0.00 H new ATOM 0 H5'' C B 105 45.007 31.967 33.926 1.00 0.00 H new ATOM 0 H4' C B 105 46.392 29.407 34.766 1.00 0.00 H new ATOM 0 H3' C B 105 47.387 32.042 35.056 1.00 0.00 H new ATOM 0 H2' C B 105 47.842 32.662 32.890 1.00 0.00 H new ATOM 0 HO2' C B 105 49.917 32.360 33.106 1.00 0.00 H new ATOM 0 H1' C B 105 48.157 29.932 31.698 1.00 0.00 H new ATOM 0 H41 C B 105 44.921 33.838 27.508 1.00 0.00 H new ATOM 0 H42 C B 105 45.978 32.761 26.588 1.00 0.00 H new ATOM 0 H5 C B 105 44.737 33.731 29.901 1.00 0.00 H new ATOM 0 H6 C B 105 45.520 32.575 31.921 1.00 0.00 H new ATOM 1544 P A B 106 49.389 31.110 36.377 1.00 0.00 P ATOM 1545 OP1 A B 106 50.352 30.093 36.873 1.00 0.00 O ATOM 1546 OP2 A B 106 48.401 31.672 37.329 1.00 0.00 O ATOM 1547 O5' A B 106 50.247 32.320 35.741 1.00 0.00 O ATOM 1548 C5' A B 106 49.706 33.628 35.588 1.00 0.00 C ATOM 1549 C4' A B 106 50.620 34.535 34.751 1.00 0.00 C ATOM 1550 O4' A B 106 51.094 33.881 33.582 1.00 0.00 O ATOM 1551 C3' A B 106 49.881 35.781 34.249 1.00 0.00 C ATOM 1552 O3' A B 106 49.784 36.817 35.217 1.00 0.00 O ATOM 1553 C2' A B 106 50.741 36.191 33.044 1.00 0.00 C ATOM 1554 O2' A B 106 51.836 37.024 33.434 1.00 0.00 O ATOM 1555 C1' A B 106 51.288 34.840 32.549 1.00 0.00 C ATOM 1556 N9 A B 106 50.628 34.333 31.319 1.00 0.00 N ATOM 1557 C8 A B 106 49.312 34.414 30.927 1.00 0.00 C ATOM 1558 N7 A B 106 49.046 33.817 29.795 1.00 0.00 N ATOM 1559 C5 A B 106 50.294 33.297 29.408 1.00 0.00 C ATOM 1560 C6 A B 106 50.776 32.538 28.309 1.00 0.00 C ATOM 1561 N6 A B 106 50.039 32.084 27.311 1.00 0.00 N ATOM 1562 N1 A B 106 52.064 32.211 28.198 1.00 0.00 N ATOM 1563 C2 A B 106 52.887 32.611 29.163 1.00 0.00 C ATOM 1564 N3 A B 106 52.592 33.310 30.255 1.00 0.00 N ATOM 1565 C4 A B 106 51.263 33.623 30.322 1.00 0.00 C ATOM 0 H5' A B 106 49.554 34.074 36.571 1.00 0.00 H new ATOM 0 H5'' A B 106 48.727 33.562 35.113 1.00 0.00 H new ATOM 0 H4' A B 106 51.440 34.798 35.419 1.00 0.00 H new ATOM 0 H3' A B 106 48.836 35.584 34.008 1.00 0.00 H new ATOM 0 H2' A B 106 50.176 36.757 32.303 1.00 0.00 H new ATOM 0 HO2' A B 106 51.689 37.352 34.346 1.00 0.00 H new ATOM 0 HO3' A B 106 49.305 37.580 34.832 1.00 0.00 H new ATOM 0 H1' A B 106 52.339 34.995 32.303 1.00 0.00 H new ATOM 0 H8 A B 106 48.560 34.929 31.507 1.00 0.00 H new ATOM 0 H61 A B 106 50.472 31.545 26.561 1.00 0.00 H new ATOM 0 H62 A B 106 49.037 32.272 27.290 1.00 0.00 H new ATOM 0 H2 A B 106 53.924 32.334 29.045 1.00 0.00 H new TER 1578 A B 106