USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 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 -1 SER OG : rot 128:sc= 0.0188 USER MOD Set 1.2: B 103 A O2' : rot -14:sc= 0.325 USER MOD Single : A 0 HIS : no HD1:sc= -0.182 X(o=-0.18,f=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 170:sc=-0.00496 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -33:sc= 0.268 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -50:sc= 0.0297 USER MOD Single : A 18 HIS : no HD1:sc=-0.00925 X(o=-0.0092,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.089 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.999) USER MOD Single : A 31 TYR OH : rot 130:sc= -0.225 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 1.12 (180deg=0.98) USER MOD Single : A 37 CYS SG : rot 109:sc= 0.535 USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.05) 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= 0.0829 USER MOD Single : A 74 ASN : amide:sc= 0.967 K(o=0.97,f=-0.087) 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) USER MOD Single : B 101 A O2' : rot 173:sc= 0 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 163:sc= 1.22 USER MOD Single : B 104 U O2' : rot -21:sc= 0.37 USER MOD Single : B 105 C O2' : rot 19:sc= 0.0207 USER MOD Single : B 106 A O2' : rot 40:sc= 0.0695 USER MOD Single : B 106 A O3' : rot 40:sc= 0.0905 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 37.485 34.321 42.629 1.00 0.00 N ATOM 2 CA GLY A -2 36.788 35.620 42.490 1.00 0.00 C ATOM 3 C GLY A -2 37.689 36.658 41.844 1.00 0.00 C ATOM 4 O GLY A -2 38.422 37.361 42.541 1.00 0.00 O ATOM 0 H1 GLY A -2 36.847 33.630 43.073 1.00 0.00 H new ATOM 0 H2 GLY A -2 37.768 33.977 41.689 1.00 0.00 H new ATOM 0 H3 GLY A -2 38.330 34.442 43.222 1.00 0.00 H new ATOM 0 HA2 GLY A -2 35.888 35.491 41.889 1.00 0.00 H new ATOM 0 HA3 GLY A -2 36.468 35.971 43.471 1.00 0.00 H new ATOM 10 N SER A -1 37.664 36.756 40.511 1.00 0.00 N ATOM 11 CA SER A -1 38.563 37.619 39.719 1.00 0.00 C ATOM 12 C SER A -1 38.097 39.083 39.678 1.00 0.00 C ATOM 13 O SER A -1 37.517 39.540 38.688 1.00 0.00 O ATOM 14 CB SER A -1 38.735 37.034 38.311 1.00 0.00 C ATOM 15 OG SER A -1 39.283 35.728 38.401 1.00 0.00 O ATOM 0 H SER A -1 37.007 36.229 39.935 1.00 0.00 H new ATOM 0 HA SER A -1 39.534 37.635 40.214 1.00 0.00 H new ATOM 0 HB2 SER A -1 37.773 37.001 37.800 1.00 0.00 H new ATOM 0 HB3 SER A -1 39.389 37.673 37.718 1.00 0.00 H new ATOM 0 HG SER A -1 38.727 35.104 37.889 1.00 0.00 H new ATOM 21 N HIS A 0 38.330 39.803 40.781 1.00 0.00 N ATOM 22 CA HIS A 0 38.127 41.251 40.958 1.00 0.00 C ATOM 23 C HIS A 0 38.948 41.733 42.172 1.00 0.00 C ATOM 24 O HIS A 0 38.669 41.326 43.301 1.00 0.00 O ATOM 25 CB HIS A 0 36.623 41.532 41.164 1.00 0.00 C ATOM 26 CG HIS A 0 36.227 42.976 41.406 1.00 0.00 C ATOM 27 ND1 HIS A 0 34.974 43.387 41.873 1.00 0.00 N ATOM 28 CD2 HIS A 0 36.976 44.091 41.150 1.00 0.00 C ATOM 29 CE1 HIS A 0 35.004 44.730 41.902 1.00 0.00 C ATOM 30 NE2 HIS A 0 36.196 45.180 41.474 1.00 0.00 N ATOM 0 H HIS A 0 38.688 39.365 41.630 1.00 0.00 H new ATOM 0 HA HIS A 0 38.463 41.791 40.073 1.00 0.00 H new ATOM 0 HB2 HIS A 0 36.087 41.175 40.285 1.00 0.00 H new ATOM 0 HB3 HIS A 0 36.279 40.938 42.011 1.00 0.00 H new ATOM 0 HD2 HIS A 0 37.986 44.114 40.767 1.00 0.00 H new ATOM 0 HE1 HIS A 0 34.187 45.358 42.223 1.00 0.00 H new ATOM 0 HE2 HIS A 0 36.475 46.158 41.402 1.00 0.00 H new ATOM 38 N MET A 1 39.965 42.587 41.955 1.00 0.00 N ATOM 39 CA MET A 1 40.804 43.134 43.044 1.00 0.00 C ATOM 40 C MET A 1 41.458 44.502 42.751 1.00 0.00 C ATOM 41 O MET A 1 41.485 45.352 43.643 1.00 0.00 O ATOM 42 CB MET A 1 41.870 42.103 43.471 1.00 0.00 C ATOM 43 CG MET A 1 42.784 41.601 42.345 1.00 0.00 C ATOM 44 SD MET A 1 44.035 40.413 42.903 1.00 0.00 S ATOM 45 CE MET A 1 44.827 40.037 41.316 1.00 0.00 C ATOM 0 H MET A 1 40.229 42.917 41.027 1.00 0.00 H new ATOM 0 HA MET A 1 40.112 43.326 43.864 1.00 0.00 H new ATOM 0 HB2 MET A 1 42.490 42.547 44.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 41.365 41.246 43.916 1.00 0.00 H new ATOM 0 HG2 MET A 1 42.172 41.136 41.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 43.284 42.454 41.886 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.629 39.315 41.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 44.089 39.618 40.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.240 40.951 40.890 1.00 0.00 H new ATOM 55 N VAL A 2 41.959 44.745 41.530 1.00 0.00 N ATOM 56 CA VAL A 2 42.656 45.995 41.144 1.00 0.00 C ATOM 57 C VAL A 2 42.154 46.480 39.775 1.00 0.00 C ATOM 58 O VAL A 2 42.839 46.382 38.754 1.00 0.00 O ATOM 59 CB VAL A 2 44.201 45.853 41.215 1.00 0.00 C ATOM 60 CG1 VAL A 2 44.910 47.201 41.001 1.00 0.00 C ATOM 61 CG2 VAL A 2 44.690 45.329 42.575 1.00 0.00 C ATOM 0 H VAL A 2 41.893 44.072 40.767 1.00 0.00 H new ATOM 0 HA VAL A 2 42.409 46.767 41.873 1.00 0.00 H new ATOM 0 HB VAL A 2 44.445 45.144 40.424 1.00 0.00 H new ATOM 0 HG11 VAL A 2 45.989 47.058 41.058 1.00 0.00 H new ATOM 0 HG12 VAL A 2 44.648 47.598 40.020 1.00 0.00 H new ATOM 0 HG13 VAL A 2 44.596 47.904 41.773 1.00 0.00 H new ATOM 0 HG21 VAL A 2 45.777 45.250 42.565 1.00 0.00 H new ATOM 0 HG22 VAL A 2 44.383 46.018 43.362 1.00 0.00 H new ATOM 0 HG23 VAL A 2 44.257 44.347 42.763 1.00 0.00 H new ATOM 71 N ILE A 3 40.909 46.960 39.753 1.00 0.00 N ATOM 72 CA ILE A 3 40.238 47.555 38.582 1.00 0.00 C ATOM 73 C ILE A 3 39.104 48.499 39.037 1.00 0.00 C ATOM 74 O ILE A 3 38.387 48.206 39.998 1.00 0.00 O ATOM 75 CB ILE A 3 39.761 46.453 37.596 1.00 0.00 C ATOM 76 CG1 ILE A 3 39.190 47.070 36.301 1.00 0.00 C ATOM 77 CG2 ILE A 3 38.764 45.472 38.240 1.00 0.00 C ATOM 78 CD1 ILE A 3 38.988 46.062 35.164 1.00 0.00 C ATOM 0 H ILE A 3 40.312 46.947 40.580 1.00 0.00 H new ATOM 0 HA ILE A 3 40.952 48.165 38.029 1.00 0.00 H new ATOM 0 HB ILE A 3 40.642 45.868 37.331 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.234 47.543 36.527 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.862 47.857 35.959 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.464 44.724 37.506 1.00 0.00 H new ATOM 0 HG22 ILE A 3 39.236 44.978 39.089 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.885 46.018 38.581 1.00 0.00 H new ATOM 0 HD11 ILE A 3 38.584 46.575 34.291 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.944 45.606 34.907 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.291 45.287 35.484 1.00 0.00 H new ATOM 90 N ARG A 4 38.941 49.639 38.351 1.00 0.00 N ATOM 91 CA ARG A 4 37.941 50.688 38.658 1.00 0.00 C ATOM 92 C ARG A 4 36.507 50.381 38.196 1.00 0.00 C ATOM 93 O ARG A 4 35.600 51.170 38.465 1.00 0.00 O ATOM 94 CB ARG A 4 38.430 52.038 38.078 1.00 0.00 C ATOM 95 CG ARG A 4 39.291 52.865 39.046 1.00 0.00 C ATOM 96 CD ARG A 4 38.478 53.351 40.257 1.00 0.00 C ATOM 97 NE ARG A 4 39.142 54.463 40.962 1.00 0.00 N ATOM 98 CZ ARG A 4 38.629 55.178 41.953 1.00 0.00 C ATOM 99 NH1 ARG A 4 37.463 54.908 42.469 1.00 0.00 N ATOM 100 NH2 ARG A 4 39.283 56.188 42.446 1.00 0.00 N ATOM 0 H ARG A 4 39.516 49.870 37.541 1.00 0.00 H new ATOM 0 HA ARG A 4 37.869 50.732 39.745 1.00 0.00 H new ATOM 0 HB2 ARG A 4 39.005 51.845 37.173 1.00 0.00 H new ATOM 0 HB3 ARG A 4 37.563 52.630 37.784 1.00 0.00 H new ATOM 0 HG2 ARG A 4 40.132 52.263 39.390 1.00 0.00 H new ATOM 0 HG3 ARG A 4 39.708 53.723 38.519 1.00 0.00 H new ATOM 0 HD2 ARG A 4 37.490 53.671 39.925 1.00 0.00 H new ATOM 0 HD3 ARG A 4 38.328 52.522 40.949 1.00 0.00 H new ATOM 0 HE ARG A 4 40.085 54.705 40.658 1.00 0.00 H new ATOM 0 HH11 ARG A 4 36.915 54.126 42.111 1.00 0.00 H new ATOM 0 HH12 ARG A 4 37.098 55.479 43.231 1.00 0.00 H new ATOM 0 HH21 ARG A 4 40.198 56.435 42.070 1.00 0.00 H new ATOM 0 HH22 ARG A 4 38.881 56.733 43.209 1.00 0.00 H new ATOM 114 N GLU A 5 36.282 49.262 37.511 1.00 0.00 N ATOM 115 CA GLU A 5 35.006 48.901 36.878 1.00 0.00 C ATOM 116 C GLU A 5 34.701 47.398 37.018 1.00 0.00 C ATOM 117 O GLU A 5 35.596 46.560 36.881 1.00 0.00 O ATOM 118 CB GLU A 5 35.048 49.349 35.407 1.00 0.00 C ATOM 119 CG GLU A 5 33.722 49.130 34.666 1.00 0.00 C ATOM 120 CD GLU A 5 33.688 49.870 33.314 1.00 0.00 C ATOM 121 OE1 GLU A 5 34.662 49.782 32.527 1.00 0.00 O ATOM 122 OE2 GLU A 5 32.668 50.544 33.025 1.00 0.00 O ATOM 0 H GLU A 5 37.004 48.555 37.374 1.00 0.00 H new ATOM 0 HA GLU A 5 34.190 49.415 37.386 1.00 0.00 H new ATOM 0 HB2 GLU A 5 35.310 50.406 35.364 1.00 0.00 H new ATOM 0 HB3 GLU A 5 35.838 48.804 34.891 1.00 0.00 H new ATOM 0 HG2 GLU A 5 33.571 48.063 34.500 1.00 0.00 H new ATOM 0 HG3 GLU A 5 32.897 49.475 35.289 1.00 0.00 H new ATOM 129 N SER A 6 33.437 47.049 37.290 1.00 0.00 N ATOM 130 CA SER A 6 32.990 45.654 37.434 1.00 0.00 C ATOM 131 C SER A 6 33.033 44.893 36.099 1.00 0.00 C ATOM 132 O SER A 6 32.565 45.395 35.072 1.00 0.00 O ATOM 133 CB SER A 6 31.579 45.613 38.032 1.00 0.00 C ATOM 134 OG SER A 6 31.176 44.272 38.253 1.00 0.00 O ATOM 0 H SER A 6 32.689 47.730 37.418 1.00 0.00 H new ATOM 0 HA SER A 6 33.682 45.153 38.111 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.559 46.165 38.972 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.877 46.104 37.358 1.00 0.00 H new ATOM 0 HG SER A 6 30.274 44.260 38.637 1.00 0.00 H new ATOM 140 N VAL A 7 33.593 43.679 36.106 1.00 0.00 N ATOM 141 CA VAL A 7 33.749 42.825 34.917 1.00 0.00 C ATOM 142 C VAL A 7 32.493 41.973 34.690 1.00 0.00 C ATOM 143 O VAL A 7 32.107 41.182 35.554 1.00 0.00 O ATOM 144 CB VAL A 7 35.009 41.942 35.028 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.200 41.074 33.781 1.00 0.00 C ATOM 146 CG2 VAL A 7 36.277 42.792 35.202 1.00 0.00 C ATOM 0 H VAL A 7 33.960 43.250 36.956 1.00 0.00 H new ATOM 0 HA VAL A 7 33.876 43.474 34.050 1.00 0.00 H new ATOM 0 HB VAL A 7 34.858 41.310 35.903 1.00 0.00 H new ATOM 0 HG11 VAL A 7 36.097 40.466 33.895 1.00 0.00 H new ATOM 0 HG12 VAL A 7 34.334 40.424 33.654 1.00 0.00 H new ATOM 0 HG13 VAL A 7 35.305 41.714 32.905 1.00 0.00 H new ATOM 0 HG21 VAL A 7 37.146 42.138 35.277 1.00 0.00 H new ATOM 0 HG22 VAL A 7 36.393 43.453 34.343 1.00 0.00 H new ATOM 0 HG23 VAL A 7 36.193 43.389 36.110 1.00 0.00 H new ATOM 156 N SER A 8 31.869 42.105 33.516 1.00 0.00 N ATOM 157 CA SER A 8 30.697 41.308 33.118 1.00 0.00 C ATOM 158 C SER A 8 31.118 39.910 32.646 1.00 0.00 C ATOM 159 O SER A 8 31.991 39.787 31.785 1.00 0.00 O ATOM 160 CB SER A 8 29.915 42.022 32.003 1.00 0.00 C ATOM 161 OG SER A 8 29.481 43.302 32.432 1.00 0.00 O ATOM 0 H SER A 8 32.164 42.774 32.805 1.00 0.00 H new ATOM 0 HA SER A 8 30.053 41.200 33.991 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.545 42.124 31.119 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.054 41.419 31.713 1.00 0.00 H new ATOM 0 HG SER A 8 29.130 43.802 31.666 1.00 0.00 H new ATOM 167 N ARG A 9 30.491 38.849 33.175 1.00 0.00 N ATOM 168 CA ARG A 9 30.758 37.448 32.785 1.00 0.00 C ATOM 169 C ARG A 9 29.473 36.635 32.580 1.00 0.00 C ATOM 170 O ARG A 9 28.483 36.842 33.275 1.00 0.00 O ATOM 171 CB ARG A 9 31.728 36.787 33.794 1.00 0.00 C ATOM 172 CG ARG A 9 33.162 37.330 33.632 1.00 0.00 C ATOM 173 CD ARG A 9 34.207 36.726 34.579 1.00 0.00 C ATOM 174 NE ARG A 9 34.160 37.333 35.930 1.00 0.00 N ATOM 175 CZ ARG A 9 35.104 38.059 36.511 1.00 0.00 C ATOM 176 NH1 ARG A 9 36.240 38.342 35.939 1.00 0.00 N ATOM 177 NH2 ARG A 9 34.943 38.533 37.712 1.00 0.00 N ATOM 0 H ARG A 9 29.774 38.936 33.895 1.00 0.00 H new ATOM 0 HA ARG A 9 31.246 37.460 31.810 1.00 0.00 H new ATOM 0 HB2 ARG A 9 31.380 36.971 34.810 1.00 0.00 H new ATOM 0 HB3 ARG A 9 31.727 35.707 33.648 1.00 0.00 H new ATOM 0 HG2 ARG A 9 33.484 37.156 32.605 1.00 0.00 H new ATOM 0 HG3 ARG A 9 33.142 38.410 33.782 1.00 0.00 H new ATOM 0 HD2 ARG A 9 34.042 35.652 34.660 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.202 36.865 34.155 1.00 0.00 H new ATOM 0 HE ARG A 9 33.310 37.175 36.471 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.437 38.000 34.998 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.933 38.906 36.432 1.00 0.00 H new ATOM 0 HH21 ARG A 9 34.079 38.348 38.222 1.00 0.00 H new ATOM 0 HH22 ARG A 9 35.681 39.090 38.144 1.00 0.00 H new ATOM 191 N ILE A 10 29.505 35.706 31.621 1.00 0.00 N ATOM 192 CA ILE A 10 28.435 34.736 31.313 1.00 0.00 C ATOM 193 C ILE A 10 28.822 33.342 31.836 1.00 0.00 C ATOM 194 O ILE A 10 30.005 32.994 31.868 1.00 0.00 O ATOM 195 CB ILE A 10 28.107 34.720 29.795 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.685 36.125 29.302 1.00 0.00 C ATOM 197 CG2 ILE A 10 27.021 33.678 29.449 1.00 0.00 C ATOM 198 CD1 ILE A 10 27.329 36.210 27.810 1.00 0.00 C ATOM 0 H ILE A 10 30.312 35.599 31.006 1.00 0.00 H new ATOM 0 HA ILE A 10 27.523 35.045 31.824 1.00 0.00 H new ATOM 0 HB ILE A 10 29.020 34.429 29.276 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.825 36.455 29.885 1.00 0.00 H new ATOM 0 HG13 ILE A 10 28.496 36.824 29.507 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.823 33.701 28.377 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.367 32.684 29.733 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.106 33.912 29.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 27.047 37.233 27.561 1.00 0.00 H new ATOM 0 HD12 ILE A 10 28.192 35.916 27.213 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.495 35.541 27.596 1.00 0.00 H new ATOM 210 N TYR A 11 27.820 32.546 32.221 1.00 0.00 N ATOM 211 CA TYR A 11 27.934 31.171 32.719 1.00 0.00 C ATOM 212 C TYR A 11 26.890 30.245 32.061 1.00 0.00 C ATOM 213 O TYR A 11 25.808 30.690 31.672 1.00 0.00 O ATOM 214 CB TYR A 11 27.792 31.205 34.249 1.00 0.00 C ATOM 215 CG TYR A 11 27.494 29.885 34.936 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.531 28.985 35.220 1.00 0.00 C ATOM 217 CD2 TYR A 11 26.174 29.577 35.321 1.00 0.00 C ATOM 218 CE1 TYR A 11 28.265 27.804 35.940 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.897 28.387 36.021 1.00 0.00 C ATOM 220 CZ TYR A 11 26.947 27.502 36.343 1.00 0.00 C ATOM 221 OH TYR A 11 26.686 26.361 37.037 1.00 0.00 O ATOM 0 H TYR A 11 26.851 32.862 32.192 1.00 0.00 H new ATOM 0 HA TYR A 11 28.908 30.758 32.455 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.715 31.605 34.667 1.00 0.00 H new ATOM 0 HB3 TYR A 11 26.997 31.907 34.501 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.536 29.198 34.886 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.371 30.257 35.078 1.00 0.00 H new ATOM 0 HE1 TYR A 11 29.071 27.128 36.184 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.883 28.153 36.311 1.00 0.00 H new ATOM 0 HH TYR A 11 27.298 25.653 36.745 1.00 0.00 H new ATOM 231 N VAL A 12 27.195 28.945 31.961 1.00 0.00 N ATOM 232 CA VAL A 12 26.218 27.885 31.645 1.00 0.00 C ATOM 233 C VAL A 12 26.507 26.650 32.504 1.00 0.00 C ATOM 234 O VAL A 12 27.637 26.156 32.521 1.00 0.00 O ATOM 235 CB VAL A 12 26.194 27.502 30.148 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.018 26.560 29.848 1.00 0.00 C ATOM 237 CG2 VAL A 12 26.067 28.699 29.195 1.00 0.00 C ATOM 0 H VAL A 12 28.141 28.590 32.099 1.00 0.00 H new ATOM 0 HA VAL A 12 25.229 28.283 31.874 1.00 0.00 H new ATOM 0 HB VAL A 12 27.157 27.023 29.971 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.019 26.302 28.789 1.00 0.00 H new ATOM 0 HG12 VAL A 12 25.118 25.652 30.442 1.00 0.00 H new ATOM 0 HG13 VAL A 12 24.081 27.056 30.100 1.00 0.00 H new ATOM 0 HG21 VAL A 12 26.058 28.344 28.164 1.00 0.00 H new ATOM 0 HG22 VAL A 12 25.140 29.233 29.403 1.00 0.00 H new ATOM 0 HG23 VAL A 12 26.913 29.371 29.340 1.00 0.00 H new ATOM 247 N GLY A 13 25.492 26.153 33.210 1.00 0.00 N ATOM 248 CA GLY A 13 25.572 25.017 34.129 1.00 0.00 C ATOM 249 C GLY A 13 25.257 23.672 33.472 1.00 0.00 C ATOM 250 O GLY A 13 24.277 23.546 32.732 1.00 0.00 O ATOM 0 H GLY A 13 24.553 26.547 33.155 1.00 0.00 H new ATOM 0 HA2 GLY A 13 26.574 24.977 34.557 1.00 0.00 H new ATOM 0 HA3 GLY A 13 24.879 25.179 34.955 1.00 0.00 H new ATOM 254 N ASN A 14 26.077 22.658 33.774 1.00 0.00 N ATOM 255 CA ASN A 14 25.965 21.289 33.245 1.00 0.00 C ATOM 256 C ASN A 14 26.017 21.227 31.698 1.00 0.00 C ATOM 257 O ASN A 14 25.365 20.390 31.068 1.00 0.00 O ATOM 258 CB ASN A 14 24.756 20.561 33.870 1.00 0.00 C ATOM 259 CG ASN A 14 24.675 20.687 35.381 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.045 21.583 35.927 1.00 0.00 O ATOM 261 ND2 ASN A 14 25.304 19.794 36.112 1.00 0.00 N ATOM 0 H ASN A 14 26.863 22.769 34.414 1.00 0.00 H new ATOM 0 HA ASN A 14 26.853 20.737 33.554 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.840 20.958 33.433 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.804 19.505 33.605 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.266 19.850 37.130 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.830 19.045 35.662 1.00 0.00 H new ATOM 268 N LEU A 15 26.784 22.133 31.081 1.00 0.00 N ATOM 269 CA LEU A 15 26.971 22.254 29.635 1.00 0.00 C ATOM 270 C LEU A 15 27.713 21.022 29.058 1.00 0.00 C ATOM 271 O LEU A 15 28.819 20.719 29.518 1.00 0.00 O ATOM 272 CB LEU A 15 27.730 23.574 29.374 1.00 0.00 C ATOM 273 CG LEU A 15 28.115 23.809 27.895 1.00 0.00 C ATOM 274 CD1 LEU A 15 27.571 25.140 27.380 1.00 0.00 C ATOM 275 CD2 LEU A 15 29.636 23.814 27.725 1.00 0.00 C ATOM 0 H LEU A 15 27.314 22.832 31.601 1.00 0.00 H new ATOM 0 HA LEU A 15 26.008 22.281 29.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.113 24.406 29.713 1.00 0.00 H new ATOM 0 HB3 LEU A 15 28.637 23.583 29.978 1.00 0.00 H new ATOM 0 HG LEU A 15 27.676 22.993 27.321 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.860 25.272 26.338 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.484 25.143 27.458 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.980 25.955 27.976 1.00 0.00 H new ATOM 0 HD21 LEU A 15 29.884 23.981 26.677 1.00 0.00 H new ATOM 0 HD22 LEU A 15 30.067 24.610 28.331 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.041 22.854 28.045 1.00 0.00 H new ATOM 287 N PRO A 16 27.164 20.319 28.045 1.00 0.00 N ATOM 288 CA PRO A 16 27.872 19.258 27.320 1.00 0.00 C ATOM 289 C PRO A 16 28.954 19.834 26.385 1.00 0.00 C ATOM 290 O PRO A 16 29.037 21.046 26.180 1.00 0.00 O ATOM 291 CB PRO A 16 26.773 18.526 26.540 1.00 0.00 C ATOM 292 CG PRO A 16 25.777 19.639 26.223 1.00 0.00 C ATOM 293 CD PRO A 16 25.837 20.520 27.470 1.00 0.00 C ATOM 0 HA PRO A 16 28.410 18.588 27.991 1.00 0.00 H new ATOM 0 HB2 PRO A 16 27.162 18.062 25.633 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.317 17.733 27.133 1.00 0.00 H new ATOM 0 HG2 PRO A 16 26.059 20.190 25.326 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.774 19.247 26.054 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.678 21.568 27.215 1.00 0.00 H new ATOM 0 HD3 PRO A 16 25.058 20.243 28.181 1.00 0.00 H new ATOM 301 N SER A 17 29.747 18.972 25.735 1.00 0.00 N ATOM 302 CA SER A 17 30.767 19.356 24.733 1.00 0.00 C ATOM 303 C SER A 17 30.171 19.818 23.375 1.00 0.00 C ATOM 304 O SER A 17 30.699 19.551 22.294 1.00 0.00 O ATOM 305 CB SER A 17 31.806 18.232 24.595 1.00 0.00 C ATOM 306 OG SER A 17 33.009 18.707 24.006 1.00 0.00 O ATOM 0 H SER A 17 29.701 17.965 25.890 1.00 0.00 H new ATOM 0 HA SER A 17 31.276 20.246 25.102 1.00 0.00 H new ATOM 0 HB2 SER A 17 32.021 17.811 25.577 1.00 0.00 H new ATOM 0 HB3 SER A 17 31.394 17.427 23.986 1.00 0.00 H new ATOM 0 HG SER A 17 32.798 19.208 23.191 1.00 0.00 H new ATOM 312 N HIS A 18 29.025 20.513 23.425 1.00 0.00 N ATOM 313 CA HIS A 18 28.341 21.157 22.294 1.00 0.00 C ATOM 314 C HIS A 18 29.134 22.352 21.740 1.00 0.00 C ATOM 315 O HIS A 18 29.139 22.585 20.529 1.00 0.00 O ATOM 316 CB HIS A 18 26.946 21.585 22.782 1.00 0.00 C ATOM 317 CG HIS A 18 26.177 22.460 21.821 1.00 0.00 C ATOM 318 ND1 HIS A 18 25.709 22.078 20.560 1.00 0.00 N ATOM 319 CD2 HIS A 18 25.809 23.753 22.055 1.00 0.00 C ATOM 320 CE1 HIS A 18 25.083 23.159 20.058 1.00 0.00 C ATOM 321 NE2 HIS A 18 25.128 24.178 20.933 1.00 0.00 N ATOM 0 H HIS A 18 28.524 20.648 24.303 1.00 0.00 H new ATOM 0 HA HIS A 18 28.256 20.453 21.466 1.00 0.00 H new ATOM 0 HB2 HIS A 18 26.358 20.690 22.986 1.00 0.00 H new ATOM 0 HB3 HIS A 18 27.055 22.117 23.727 1.00 0.00 H new ATOM 0 HD2 HIS A 18 26.011 24.331 22.945 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.611 23.201 19.088 1.00 0.00 H new ATOM 0 HE2 HIS A 18 24.728 25.106 20.792 1.00 0.00 H new ATOM 329 N VAL A 19 29.853 23.069 22.612 1.00 0.00 N ATOM 330 CA VAL A 19 30.771 24.164 22.258 1.00 0.00 C ATOM 331 C VAL A 19 32.100 24.032 23.015 1.00 0.00 C ATOM 332 O VAL A 19 32.133 23.929 24.243 1.00 0.00 O ATOM 333 CB VAL A 19 30.135 25.561 22.460 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.041 25.838 21.422 1.00 0.00 C ATOM 335 CG2 VAL A 19 29.527 25.791 23.850 1.00 0.00 C ATOM 0 H VAL A 19 29.812 22.899 23.617 1.00 0.00 H new ATOM 0 HA VAL A 19 30.979 24.075 21.192 1.00 0.00 H new ATOM 0 HB VAL A 19 30.974 26.247 22.342 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.617 26.827 21.595 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.470 25.797 20.421 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.256 25.087 21.511 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.105 26.795 23.901 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.741 25.057 24.029 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.303 25.685 24.609 1.00 0.00 H new ATOM 345 N SER A 20 33.207 24.029 22.269 1.00 0.00 N ATOM 346 CA SER A 20 34.582 24.168 22.776 1.00 0.00 C ATOM 347 C SER A 20 34.928 25.640 23.042 1.00 0.00 C ATOM 348 O SER A 20 34.170 26.535 22.666 1.00 0.00 O ATOM 349 CB SER A 20 35.542 23.595 21.730 1.00 0.00 C ATOM 350 OG SER A 20 35.474 24.361 20.535 1.00 0.00 O ATOM 0 H SER A 20 33.173 23.926 21.255 1.00 0.00 H new ATOM 0 HA SER A 20 34.672 23.628 23.718 1.00 0.00 H new ATOM 0 HB2 SER A 20 36.561 23.601 22.118 1.00 0.00 H new ATOM 0 HB3 SER A 20 35.287 22.556 21.521 1.00 0.00 H new ATOM 0 HG SER A 20 36.092 23.989 19.872 1.00 0.00 H new ATOM 356 N SER A 21 36.101 25.933 23.614 1.00 0.00 N ATOM 357 CA SER A 21 36.597 27.318 23.761 1.00 0.00 C ATOM 358 C SER A 21 36.663 28.083 22.424 1.00 0.00 C ATOM 359 O SER A 21 36.439 29.295 22.404 1.00 0.00 O ATOM 360 CB SER A 21 37.981 27.302 24.418 1.00 0.00 C ATOM 361 OG SER A 21 38.895 26.544 23.641 1.00 0.00 O ATOM 0 H SER A 21 36.734 25.226 23.988 1.00 0.00 H new ATOM 0 HA SER A 21 35.882 27.846 24.391 1.00 0.00 H new ATOM 0 HB2 SER A 21 38.349 28.322 24.529 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.909 26.879 25.420 1.00 0.00 H new ATOM 0 HG SER A 21 39.774 26.546 24.075 1.00 0.00 H new ATOM 367 N ARG A 22 36.895 27.385 21.300 1.00 0.00 N ATOM 368 CA ARG A 22 36.823 27.927 19.932 1.00 0.00 C ATOM 369 C ARG A 22 35.384 28.260 19.532 1.00 0.00 C ATOM 370 O ARG A 22 35.108 29.384 19.114 1.00 0.00 O ATOM 371 CB ARG A 22 37.511 26.929 18.976 1.00 0.00 C ATOM 372 CG ARG A 22 37.557 27.321 17.488 1.00 0.00 C ATOM 373 CD ARG A 22 36.286 26.941 16.715 1.00 0.00 C ATOM 374 NE ARG A 22 36.477 27.045 15.256 1.00 0.00 N ATOM 375 CZ ARG A 22 35.637 26.623 14.328 1.00 0.00 C ATOM 376 NH1 ARG A 22 34.492 26.077 14.616 1.00 0.00 N ATOM 377 NH2 ARG A 22 35.944 26.738 13.065 1.00 0.00 N ATOM 0 H ARG A 22 37.146 26.396 21.319 1.00 0.00 H new ATOM 0 HA ARG A 22 37.355 28.877 19.875 1.00 0.00 H new ATOM 0 HB2 ARG A 22 38.534 26.777 19.320 1.00 0.00 H new ATOM 0 HB3 ARG A 22 37.001 25.969 19.060 1.00 0.00 H new ATOM 0 HG2 ARG A 22 37.713 28.397 17.409 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.415 26.839 17.020 1.00 0.00 H new ATOM 0 HD2 ARG A 22 35.996 25.922 16.971 1.00 0.00 H new ATOM 0 HD3 ARG A 22 35.467 27.592 17.021 1.00 0.00 H new ATOM 0 HE ARG A 22 37.339 27.484 14.933 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.213 25.961 15.590 1.00 0.00 H new ATOM 0 HH12 ARG A 22 33.873 25.765 13.868 1.00 0.00 H new ATOM 0 HH21 ARG A 22 36.834 27.154 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.294 26.411 12.350 1.00 0.00 H new ATOM 391 N ASP A 23 34.459 27.310 19.675 1.00 0.00 N ATOM 392 CA ASP A 23 33.052 27.496 19.283 1.00 0.00 C ATOM 393 C ASP A 23 32.287 28.480 20.184 1.00 0.00 C ATOM 394 O ASP A 23 31.384 29.165 19.704 1.00 0.00 O ATOM 395 CB ASP A 23 32.328 26.144 19.240 1.00 0.00 C ATOM 396 CG ASP A 23 32.816 25.187 18.141 1.00 0.00 C ATOM 397 OD1 ASP A 23 33.424 25.641 17.142 1.00 0.00 O ATOM 398 OD2 ASP A 23 32.541 23.968 18.255 1.00 0.00 O ATOM 0 H ASP A 23 34.659 26.389 20.065 1.00 0.00 H new ATOM 0 HA ASP A 23 33.069 27.940 18.288 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.445 25.654 20.207 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.262 26.323 19.100 1.00 0.00 H new ATOM 403 N VAL A 24 32.660 28.604 21.465 1.00 0.00 N ATOM 404 CA VAL A 24 32.078 29.571 22.412 1.00 0.00 C ATOM 405 C VAL A 24 32.227 31.013 21.907 1.00 0.00 C ATOM 406 O VAL A 24 31.277 31.781 22.011 1.00 0.00 O ATOM 407 CB VAL A 24 32.685 29.388 23.824 1.00 0.00 C ATOM 408 CG1 VAL A 24 32.410 30.549 24.780 1.00 0.00 C ATOM 409 CG2 VAL A 24 32.093 28.160 24.528 1.00 0.00 C ATOM 0 H VAL A 24 33.389 28.025 21.882 1.00 0.00 H new ATOM 0 HA VAL A 24 31.009 29.372 22.484 1.00 0.00 H new ATOM 0 HB VAL A 24 33.755 29.302 23.632 1.00 0.00 H new ATOM 0 HG11 VAL A 24 32.869 30.341 25.746 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.830 31.467 24.368 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.334 30.668 24.908 1.00 0.00 H new ATOM 0 HG21 VAL A 24 32.539 28.058 25.517 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.014 28.282 24.627 1.00 0.00 H new ATOM 0 HG23 VAL A 24 32.305 27.267 23.941 1.00 0.00 H new ATOM 419 N GLU A 25 33.359 31.388 21.300 1.00 0.00 N ATOM 420 CA GLU A 25 33.511 32.724 20.701 1.00 0.00 C ATOM 421 C GLU A 25 32.493 32.957 19.572 1.00 0.00 C ATOM 422 O GLU A 25 31.737 33.927 19.614 1.00 0.00 O ATOM 423 CB GLU A 25 34.956 32.951 20.214 1.00 0.00 C ATOM 424 CG GLU A 25 35.100 34.297 19.483 1.00 0.00 C ATOM 425 CD GLU A 25 36.547 34.721 19.171 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.507 33.934 19.353 1.00 0.00 O ATOM 427 OE2 GLU A 25 36.709 35.876 18.703 1.00 0.00 O ATOM 0 H GLU A 25 34.181 30.790 21.209 1.00 0.00 H new ATOM 0 HA GLU A 25 33.303 33.460 21.478 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.636 32.923 21.065 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.248 32.140 19.546 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.543 34.246 18.547 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.633 35.073 20.089 1.00 0.00 H new ATOM 434 N ASN A 26 32.436 32.064 18.579 1.00 0.00 N ATOM 435 CA ASN A 26 31.529 32.206 17.436 1.00 0.00 C ATOM 436 C ASN A 26 30.040 32.134 17.834 1.00 0.00 C ATOM 437 O ASN A 26 29.212 32.804 17.216 1.00 0.00 O ATOM 438 CB ASN A 26 31.884 31.152 16.372 1.00 0.00 C ATOM 439 CG ASN A 26 33.231 31.422 15.722 1.00 0.00 C ATOM 440 OD1 ASN A 26 34.242 30.816 16.042 1.00 0.00 O ATOM 441 ND2 ASN A 26 33.293 32.347 14.788 1.00 0.00 N ATOM 0 H ASN A 26 33.015 31.225 18.545 1.00 0.00 H new ATOM 0 HA ASN A 26 31.668 33.203 17.019 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.896 30.164 16.832 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.109 31.137 15.605 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.183 32.555 14.335 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.451 32.856 14.517 1.00 0.00 H new ATOM 448 N GLU A 27 29.696 31.371 18.875 1.00 0.00 N ATOM 449 CA GLU A 27 28.344 31.318 19.439 1.00 0.00 C ATOM 450 C GLU A 27 27.973 32.626 20.161 1.00 0.00 C ATOM 451 O GLU A 27 26.957 33.246 19.836 1.00 0.00 O ATOM 452 CB GLU A 27 28.233 30.098 20.373 1.00 0.00 C ATOM 453 CG GLU A 27 26.851 29.913 21.025 1.00 0.00 C ATOM 454 CD GLU A 27 25.689 29.759 20.021 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.888 29.209 18.910 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.548 30.163 20.357 1.00 0.00 O ATOM 0 H GLU A 27 30.359 30.764 19.357 1.00 0.00 H new ATOM 0 HA GLU A 27 27.627 31.207 18.626 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.476 29.199 19.806 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.982 30.190 21.160 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.880 29.032 21.666 1.00 0.00 H new ATOM 0 HG3 GLU A 27 26.648 30.769 21.668 1.00 0.00 H new ATOM 463 N PHE A 28 28.798 33.080 21.113 1.00 0.00 N ATOM 464 CA PHE A 28 28.486 34.252 21.940 1.00 0.00 C ATOM 465 C PHE A 28 28.720 35.607 21.247 1.00 0.00 C ATOM 466 O PHE A 28 28.152 36.605 21.691 1.00 0.00 O ATOM 467 CB PHE A 28 29.140 34.138 23.324 1.00 0.00 C ATOM 468 CG PHE A 28 28.383 33.180 24.234 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.260 33.640 24.950 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.746 31.822 24.320 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.516 32.751 25.750 1.00 0.00 C ATOM 472 CE2 PHE A 28 28.016 30.937 25.133 1.00 0.00 C ATOM 473 CZ PHE A 28 26.899 31.402 25.850 1.00 0.00 C ATOM 0 H PHE A 28 29.696 32.648 21.331 1.00 0.00 H new ATOM 0 HA PHE A 28 27.407 34.242 22.093 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.169 33.795 23.212 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.181 35.123 23.788 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.969 34.678 24.885 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.592 31.457 23.757 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.649 33.106 26.288 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.313 29.901 25.207 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.337 30.725 26.476 1.00 0.00 H new ATOM 483 N ARG A 29 29.429 35.672 20.110 1.00 0.00 N ATOM 484 CA ARG A 29 29.558 36.905 19.300 1.00 0.00 C ATOM 485 C ARG A 29 28.222 37.496 18.818 1.00 0.00 C ATOM 486 O ARG A 29 28.151 38.710 18.616 1.00 0.00 O ATOM 487 CB ARG A 29 30.521 36.681 18.117 1.00 0.00 C ATOM 488 CG ARG A 29 31.966 37.016 18.516 1.00 0.00 C ATOM 489 CD ARG A 29 32.939 36.835 17.345 1.00 0.00 C ATOM 490 NE ARG A 29 34.315 37.212 17.726 1.00 0.00 N ATOM 491 CZ ARG A 29 34.842 38.417 17.792 1.00 0.00 C ATOM 492 NH1 ARG A 29 34.187 39.504 17.487 1.00 0.00 N ATOM 493 NH2 ARG A 29 36.075 38.528 18.186 1.00 0.00 N ATOM 0 H ARG A 29 29.931 34.874 19.721 1.00 0.00 H new ATOM 0 HA ARG A 29 29.975 37.654 19.973 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.462 35.644 17.786 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.219 37.302 17.274 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.015 38.045 18.873 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.272 36.376 19.344 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.923 35.797 17.014 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.613 37.444 16.502 1.00 0.00 H new ATOM 0 HE ARG A 29 34.937 36.441 17.969 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.216 39.445 17.179 1.00 0.00 H new ATOM 0 HH12 ARG A 29 34.646 40.412 17.557 1.00 0.00 H new ATOM 0 HH21 ARG A 29 36.608 37.695 18.434 1.00 0.00 H new ATOM 0 HH22 ARG A 29 36.510 39.449 18.247 1.00 0.00 H new ATOM 507 N LYS A 30 27.152 36.695 18.684 1.00 0.00 N ATOM 508 CA LYS A 30 25.788 37.200 18.395 1.00 0.00 C ATOM 509 C LYS A 30 25.177 37.943 19.599 1.00 0.00 C ATOM 510 O LYS A 30 24.424 38.899 19.415 1.00 0.00 O ATOM 511 CB LYS A 30 24.905 36.061 17.814 1.00 0.00 C ATOM 512 CG LYS A 30 23.769 35.498 18.700 1.00 0.00 C ATOM 513 CD LYS A 30 22.457 36.301 18.593 1.00 0.00 C ATOM 514 CE LYS A 30 21.530 36.125 19.809 1.00 0.00 C ATOM 515 NZ LYS A 30 20.942 34.765 19.899 1.00 0.00 N ATOM 0 H LYS A 30 27.202 35.680 18.772 1.00 0.00 H new ATOM 0 HA LYS A 30 25.846 37.963 17.618 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.458 36.424 16.889 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.562 35.233 17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.577 34.463 18.418 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.098 35.490 19.739 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.696 37.358 18.478 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.925 35.994 17.693 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.091 36.333 20.720 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.726 36.859 19.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.086 34.795 20.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.694 34.430 18.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.633 34.115 20.325 1.00 0.00 H new ATOM 529 N TYR A 31 25.519 37.529 20.819 1.00 0.00 N ATOM 530 CA TYR A 31 25.040 38.117 22.077 1.00 0.00 C ATOM 531 C TYR A 31 25.734 39.464 22.343 1.00 0.00 C ATOM 532 O TYR A 31 25.099 40.404 22.822 1.00 0.00 O ATOM 533 CB TYR A 31 25.272 37.151 23.265 1.00 0.00 C ATOM 534 CG TYR A 31 24.601 35.777 23.219 1.00 0.00 C ATOM 535 CD1 TYR A 31 24.918 34.844 22.210 1.00 0.00 C ATOM 536 CD2 TYR A 31 23.719 35.390 24.249 1.00 0.00 C ATOM 537 CE1 TYR A 31 24.346 33.559 22.204 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.146 34.100 24.250 1.00 0.00 C ATOM 539 CZ TYR A 31 23.457 33.180 23.225 1.00 0.00 C ATOM 540 OH TYR A 31 22.904 31.938 23.221 1.00 0.00 O ATOM 0 H TYR A 31 26.159 36.749 20.967 1.00 0.00 H new ATOM 0 HA TYR A 31 23.968 38.289 21.980 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.346 36.994 23.362 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.940 37.654 24.173 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.611 35.121 21.429 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.481 36.084 25.041 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.590 32.863 21.415 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.466 33.815 25.039 1.00 0.00 H new ATOM 0 HH TYR A 31 23.021 31.525 24.102 1.00 0.00 H new ATOM 550 N GLY A 32 27.023 39.575 21.999 1.00 0.00 N ATOM 551 CA GLY A 32 27.805 40.814 22.065 1.00 0.00 C ATOM 552 C GLY A 32 29.317 40.572 21.997 1.00 0.00 C ATOM 553 O GLY A 32 29.775 39.488 21.637 1.00 0.00 O ATOM 0 H GLY A 32 27.566 38.782 21.657 1.00 0.00 H new ATOM 0 HA2 GLY A 32 27.510 41.468 21.244 1.00 0.00 H new ATOM 0 HA3 GLY A 32 27.568 41.338 22.991 1.00 0.00 H new ATOM 557 N ASN A 33 30.104 41.595 22.339 1.00 0.00 N ATOM 558 CA ASN A 33 31.565 41.535 22.307 1.00 0.00 C ATOM 559 C ASN A 33 32.150 40.741 23.492 1.00 0.00 C ATOM 560 O ASN A 33 32.484 41.287 24.548 1.00 0.00 O ATOM 561 CB ASN A 33 32.132 42.959 22.190 1.00 0.00 C ATOM 562 CG ASN A 33 31.879 43.559 20.816 1.00 0.00 C ATOM 563 OD1 ASN A 33 32.254 43.006 19.791 1.00 0.00 O ATOM 564 ND2 ASN A 33 31.224 44.694 20.739 1.00 0.00 N ATOM 0 H ASN A 33 29.740 42.496 22.649 1.00 0.00 H new ATOM 0 HA ASN A 33 31.875 40.976 21.424 1.00 0.00 H new ATOM 0 HB2 ASN A 33 31.680 43.594 22.952 1.00 0.00 H new ATOM 0 HB3 ASN A 33 33.204 42.940 22.386 1.00 0.00 H new ATOM 0 HD21 ASN A 33 31.030 45.110 19.828 1.00 0.00 H new ATOM 0 HD22 ASN A 33 30.909 45.160 21.590 1.00 0.00 H new ATOM 571 N ILE A 34 32.318 39.436 23.266 1.00 0.00 N ATOM 572 CA ILE A 34 33.204 38.548 24.027 1.00 0.00 C ATOM 573 C ILE A 34 34.651 39.072 23.986 1.00 0.00 C ATOM 574 O ILE A 34 35.165 39.433 22.925 1.00 0.00 O ATOM 575 CB ILE A 34 33.062 37.081 23.536 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.114 36.102 24.119 1.00 0.00 C ATOM 577 CG2 ILE A 34 32.969 36.929 22.006 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.460 35.959 23.387 1.00 0.00 C ATOM 0 H ILE A 34 31.822 38.949 22.520 1.00 0.00 H new ATOM 0 HA ILE A 34 32.906 38.546 25.076 1.00 0.00 H new ATOM 0 HB ILE A 34 32.095 36.789 23.947 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.323 36.410 25.143 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.657 35.114 24.170 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.872 35.874 21.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.099 37.473 21.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 33.870 37.333 21.545 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.087 35.240 23.915 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.285 35.610 22.369 1.00 0.00 H new ATOM 0 HD13 ILE A 34 35.963 36.926 23.358 1.00 0.00 H new ATOM 590 N LEU A 35 35.303 39.103 25.150 1.00 0.00 N ATOM 591 CA LEU A 35 36.712 39.484 25.327 1.00 0.00 C ATOM 592 C LEU A 35 37.638 38.262 25.487 1.00 0.00 C ATOM 593 O LEU A 35 38.748 38.255 24.948 1.00 0.00 O ATOM 594 CB LEU A 35 36.836 40.415 26.548 1.00 0.00 C ATOM 595 CG LEU A 35 36.000 41.710 26.496 1.00 0.00 C ATOM 596 CD1 LEU A 35 36.295 42.545 27.746 1.00 0.00 C ATOM 597 CD2 LEU A 35 36.321 42.561 25.264 1.00 0.00 C ATOM 0 H LEU A 35 34.850 38.855 26.030 1.00 0.00 H new ATOM 0 HA LEU A 35 37.034 40.004 24.425 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.548 39.855 27.438 1.00 0.00 H new ATOM 0 HB3 LEU A 35 37.885 40.687 26.668 1.00 0.00 H new ATOM 0 HG LEU A 35 34.951 41.420 26.446 1.00 0.00 H new ATOM 0 HD11 LEU A 35 35.708 43.463 27.717 1.00 0.00 H new ATOM 0 HD12 LEU A 35 36.032 41.973 28.636 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.356 42.794 27.775 1.00 0.00 H new ATOM 0 HD21 LEU A 35 35.707 43.461 25.274 1.00 0.00 H new ATOM 0 HD22 LEU A 35 37.374 42.840 25.279 1.00 0.00 H new ATOM 0 HD23 LEU A 35 36.111 41.988 24.361 1.00 0.00 H new ATOM 609 N LYS A 36 37.176 37.228 26.205 1.00 0.00 N ATOM 610 CA LYS A 36 37.889 35.967 26.478 1.00 0.00 C ATOM 611 C LYS A 36 36.889 34.849 26.792 1.00 0.00 C ATOM 612 O LYS A 36 35.844 35.109 27.385 1.00 0.00 O ATOM 613 CB LYS A 36 38.897 36.203 27.628 1.00 0.00 C ATOM 614 CG LYS A 36 39.746 34.969 27.994 1.00 0.00 C ATOM 615 CD LYS A 36 39.189 34.185 29.197 1.00 0.00 C ATOM 616 CE LYS A 36 39.595 32.705 29.169 1.00 0.00 C ATOM 617 NZ LYS A 36 41.066 32.489 29.200 1.00 0.00 N ATOM 0 H LYS A 36 36.250 37.247 26.633 1.00 0.00 H new ATOM 0 HA LYS A 36 38.448 35.646 25.599 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.564 37.018 27.348 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.350 36.528 28.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.802 34.306 27.131 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.764 35.289 28.217 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.547 34.640 30.121 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.102 34.261 29.205 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.144 32.197 30.022 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.187 32.242 28.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.276 31.495 28.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.522 33.106 28.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.430 32.714 30.148 1.00 0.00 H new ATOM 631 N CYS A 37 37.212 33.606 26.434 1.00 0.00 N ATOM 632 CA CYS A 37 36.363 32.432 26.666 1.00 0.00 C ATOM 633 C CYS A 37 37.186 31.163 26.946 1.00 0.00 C ATOM 634 O CYS A 37 38.207 30.918 26.303 1.00 0.00 O ATOM 635 CB CYS A 37 35.423 32.239 25.467 1.00 0.00 C ATOM 636 SG CYS A 37 36.295 32.236 23.871 1.00 0.00 S ATOM 0 H CYS A 37 38.089 33.380 25.965 1.00 0.00 H new ATOM 0 HA CYS A 37 35.769 32.610 27.562 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.885 31.298 25.582 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.677 33.034 25.466 1.00 0.00 H new ATOM 0 HG CYS A 37 36.297 31.032 23.380 1.00 0.00 H new ATOM 642 N ASP A 38 36.731 30.352 27.903 1.00 0.00 N ATOM 643 CA ASP A 38 37.257 29.009 28.206 1.00 0.00 C ATOM 644 C ASP A 38 36.224 28.201 29.008 1.00 0.00 C ATOM 645 O ASP A 38 35.673 28.689 29.999 1.00 0.00 O ATOM 646 CB ASP A 38 38.575 29.083 29.003 1.00 0.00 C ATOM 647 CG ASP A 38 39.846 29.062 28.131 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.940 28.210 27.214 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.780 29.855 28.406 1.00 0.00 O ATOM 0 H ASP A 38 35.958 30.617 28.513 1.00 0.00 H new ATOM 0 HA ASP A 38 37.456 28.514 27.255 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.574 29.994 29.601 1.00 0.00 H new ATOM 0 HB3 ASP A 38 38.612 28.245 29.699 1.00 0.00 H new ATOM 654 N VAL A 39 35.982 26.953 28.598 1.00 0.00 N ATOM 655 CA VAL A 39 35.157 25.987 29.348 1.00 0.00 C ATOM 656 C VAL A 39 35.994 25.258 30.410 1.00 0.00 C ATOM 657 O VAL A 39 37.192 25.029 30.211 1.00 0.00 O ATOM 658 CB VAL A 39 34.422 24.997 28.412 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.641 25.722 27.308 1.00 0.00 C ATOM 660 CG2 VAL A 39 35.346 23.975 27.734 1.00 0.00 C ATOM 0 H VAL A 39 36.355 26.575 27.727 1.00 0.00 H new ATOM 0 HA VAL A 39 34.383 26.552 29.867 1.00 0.00 H new ATOM 0 HB VAL A 39 33.743 24.463 29.077 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.141 24.989 26.675 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.898 26.379 27.760 1.00 0.00 H new ATOM 0 HG13 VAL A 39 34.329 26.314 26.704 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.755 23.318 27.095 1.00 0.00 H new ATOM 0 HG22 VAL A 39 36.087 24.499 27.130 1.00 0.00 H new ATOM 0 HG23 VAL A 39 35.853 23.382 28.495 1.00 0.00 H new ATOM 670 N LYS A 40 35.374 24.868 31.532 1.00 0.00 N ATOM 671 CA LYS A 40 36.002 24.100 32.633 1.00 0.00 C ATOM 672 C LYS A 40 35.140 22.897 33.043 1.00 0.00 C ATOM 673 O LYS A 40 33.992 22.784 32.616 1.00 0.00 O ATOM 674 CB LYS A 40 36.303 25.000 33.854 1.00 0.00 C ATOM 675 CG LYS A 40 37.044 26.319 33.553 1.00 0.00 C ATOM 676 CD LYS A 40 36.095 27.530 33.467 1.00 0.00 C ATOM 677 CE LYS A 40 35.911 28.264 34.806 1.00 0.00 C ATOM 678 NZ LYS A 40 35.387 27.395 35.888 1.00 0.00 N ATOM 0 H LYS A 40 34.393 25.081 31.711 1.00 0.00 H new ATOM 0 HA LYS A 40 36.951 23.719 32.256 1.00 0.00 H new ATOM 0 HB2 LYS A 40 35.360 25.240 34.345 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.897 24.427 34.566 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.786 26.499 34.331 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.586 26.220 32.612 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.481 28.232 32.728 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.122 27.194 33.110 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.869 28.682 35.117 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.230 29.102 34.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.335 27.937 36.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.437 27.057 35.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.021 26.581 36.017 1.00 0.00 H new ATOM 692 N LYS A 41 35.685 22.013 33.888 1.00 0.00 N ATOM 693 CA LYS A 41 34.994 20.829 34.437 1.00 0.00 C ATOM 694 C LYS A 41 35.406 20.506 35.880 1.00 0.00 C ATOM 695 O LYS A 41 36.525 20.825 36.289 1.00 0.00 O ATOM 696 CB LYS A 41 35.143 19.614 33.492 1.00 0.00 C ATOM 697 CG LYS A 41 36.472 18.832 33.554 1.00 0.00 C ATOM 698 CD LYS A 41 37.754 19.597 33.183 1.00 0.00 C ATOM 699 CE LYS A 41 37.721 20.128 31.742 1.00 0.00 C ATOM 700 NZ LYS A 41 39.019 20.752 31.361 1.00 0.00 N ATOM 0 H LYS A 41 36.645 22.100 34.221 1.00 0.00 H new ATOM 0 HA LYS A 41 33.934 21.076 34.491 1.00 0.00 H new ATOM 0 HB2 LYS A 41 34.331 18.918 33.705 1.00 0.00 H new ATOM 0 HB3 LYS A 41 35.003 19.963 32.469 1.00 0.00 H new ATOM 0 HG2 LYS A 41 36.590 18.445 34.566 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.389 17.970 32.891 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.889 20.431 33.872 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.615 18.940 33.306 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.494 19.311 31.057 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.920 20.861 31.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.963 21.100 30.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 39.223 21.547 32.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.779 20.045 31.434 1.00 0.00 H new ATOM 714 N THR A 42 34.515 19.871 36.635 1.00 0.00 N ATOM 715 CA THR A 42 34.762 19.378 38.008 1.00 0.00 C ATOM 716 C THR A 42 35.086 17.879 38.029 1.00 0.00 C ATOM 717 O THR A 42 34.872 17.162 37.047 1.00 0.00 O ATOM 718 CB THR A 42 33.564 19.668 38.928 1.00 0.00 C ATOM 719 OG1 THR A 42 32.402 19.022 38.452 1.00 0.00 O ATOM 720 CG2 THR A 42 33.292 21.165 39.075 1.00 0.00 C ATOM 0 H THR A 42 33.569 19.674 36.309 1.00 0.00 H new ATOM 0 HA THR A 42 35.632 19.918 38.382 1.00 0.00 H new ATOM 0 HB THR A 42 33.824 19.277 39.912 1.00 0.00 H new ATOM 0 HG1 THR A 42 31.651 19.217 39.051 1.00 0.00 H new ATOM 0 HG21 THR A 42 32.437 21.316 39.734 1.00 0.00 H new ATOM 0 HG22 THR A 42 34.169 21.654 39.500 1.00 0.00 H new ATOM 0 HG23 THR A 42 33.076 21.593 38.096 1.00 0.00 H new ATOM 728 N VAL A 43 35.576 17.374 39.170 1.00 0.00 N ATOM 729 CA VAL A 43 35.895 15.944 39.391 1.00 0.00 C ATOM 730 C VAL A 43 34.655 15.037 39.258 1.00 0.00 C ATOM 731 O VAL A 43 34.769 13.874 38.870 1.00 0.00 O ATOM 732 CB VAL A 43 36.581 15.760 40.764 1.00 0.00 C ATOM 733 CG1 VAL A 43 36.945 14.302 41.078 1.00 0.00 C ATOM 734 CG2 VAL A 43 37.884 16.575 40.843 1.00 0.00 C ATOM 0 H VAL A 43 35.768 17.955 39.986 1.00 0.00 H new ATOM 0 HA VAL A 43 36.586 15.634 38.607 1.00 0.00 H new ATOM 0 HB VAL A 43 35.846 16.106 41.490 1.00 0.00 H new ATOM 0 HG11 VAL A 43 37.422 14.249 42.056 1.00 0.00 H new ATOM 0 HG12 VAL A 43 36.040 13.694 41.082 1.00 0.00 H new ATOM 0 HG13 VAL A 43 37.631 13.927 40.319 1.00 0.00 H new ATOM 0 HG21 VAL A 43 38.347 16.428 41.819 1.00 0.00 H new ATOM 0 HG22 VAL A 43 38.569 16.243 40.063 1.00 0.00 H new ATOM 0 HG23 VAL A 43 37.661 17.633 40.703 1.00 0.00 H new ATOM 744 N SER A 44 33.455 15.583 39.495 1.00 0.00 N ATOM 745 CA SER A 44 32.159 14.916 39.266 1.00 0.00 C ATOM 746 C SER A 44 31.869 14.621 37.775 1.00 0.00 C ATOM 747 O SER A 44 31.024 13.786 37.448 1.00 0.00 O ATOM 748 CB SER A 44 31.054 15.794 39.872 1.00 0.00 C ATOM 749 OG SER A 44 29.789 15.153 39.857 1.00 0.00 O ATOM 0 H SER A 44 33.352 16.529 39.862 1.00 0.00 H new ATOM 0 HA SER A 44 32.192 13.940 39.751 1.00 0.00 H new ATOM 0 HB2 SER A 44 31.318 16.049 40.898 1.00 0.00 H new ATOM 0 HB3 SER A 44 30.991 16.730 39.317 1.00 0.00 H new ATOM 0 HG SER A 44 29.117 15.746 40.253 1.00 0.00 H new ATOM 755 N GLY A 45 32.587 15.278 36.854 1.00 0.00 N ATOM 756 CA GLY A 45 32.434 15.144 35.400 1.00 0.00 C ATOM 757 C GLY A 45 31.449 16.137 34.766 1.00 0.00 C ATOM 758 O GLY A 45 31.288 16.139 33.545 1.00 0.00 O ATOM 0 H GLY A 45 33.317 15.942 37.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 33.410 15.272 34.932 1.00 0.00 H new ATOM 0 HA3 GLY A 45 32.103 14.130 35.175 1.00 0.00 H new ATOM 762 N ALA A 46 30.810 16.998 35.567 1.00 0.00 N ATOM 763 CA ALA A 46 30.040 18.140 35.074 1.00 0.00 C ATOM 764 C ALA A 46 30.972 19.204 34.464 1.00 0.00 C ATOM 765 O ALA A 46 32.067 19.448 34.978 1.00 0.00 O ATOM 766 CB ALA A 46 29.197 18.711 36.222 1.00 0.00 C ATOM 0 H ALA A 46 30.815 16.919 36.584 1.00 0.00 H new ATOM 0 HA ALA A 46 29.369 17.815 34.279 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.620 19.563 35.861 1.00 0.00 H new ATOM 0 HB2 ALA A 46 28.517 17.943 36.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.854 19.033 37.030 1.00 0.00 H new ATOM 772 N ALA A 47 30.528 19.853 33.383 1.00 0.00 N ATOM 773 CA ALA A 47 31.277 20.880 32.660 1.00 0.00 C ATOM 774 C ALA A 47 30.473 22.178 32.488 1.00 0.00 C ATOM 775 O ALA A 47 29.242 22.196 32.600 1.00 0.00 O ATOM 776 CB ALA A 47 31.796 20.294 31.342 1.00 0.00 C ATOM 0 H ALA A 47 29.610 19.671 32.977 1.00 0.00 H new ATOM 0 HA ALA A 47 32.142 21.178 33.253 1.00 0.00 H new ATOM 0 HB1 ALA A 47 32.355 21.057 30.800 1.00 0.00 H new ATOM 0 HB2 ALA A 47 32.449 19.447 31.553 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.954 19.961 30.735 1.00 0.00 H new ATOM 782 N PHE A 48 31.192 23.284 32.275 1.00 0.00 N ATOM 783 CA PHE A 48 30.688 24.648 32.452 1.00 0.00 C ATOM 784 C PHE A 48 31.351 25.613 31.464 1.00 0.00 C ATOM 785 O PHE A 48 32.580 25.681 31.397 1.00 0.00 O ATOM 786 CB PHE A 48 30.970 25.106 33.897 1.00 0.00 C ATOM 787 CG PHE A 48 30.433 24.185 34.978 1.00 0.00 C ATOM 788 CD1 PHE A 48 31.214 23.125 35.478 1.00 0.00 C ATOM 789 CD2 PHE A 48 29.126 24.373 35.462 1.00 0.00 C ATOM 790 CE1 PHE A 48 30.671 22.240 36.428 1.00 0.00 C ATOM 791 CE2 PHE A 48 28.592 23.502 36.429 1.00 0.00 C ATOM 792 CZ PHE A 48 29.365 22.430 36.908 1.00 0.00 C ATOM 0 H PHE A 48 32.164 23.254 31.967 1.00 0.00 H new ATOM 0 HA PHE A 48 29.615 24.653 32.260 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.048 25.205 34.027 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.540 26.097 34.039 1.00 0.00 H new ATOM 0 HD1 PHE A 48 32.229 22.991 35.133 1.00 0.00 H new ATOM 0 HD2 PHE A 48 28.528 25.191 35.089 1.00 0.00 H new ATOM 0 HE1 PHE A 48 31.261 21.411 36.790 1.00 0.00 H new ATOM 0 HE2 PHE A 48 27.591 23.657 36.803 1.00 0.00 H new ATOM 0 HZ PHE A 48 28.955 21.754 37.644 1.00 0.00 H new ATOM 802 N ALA A 49 30.554 26.392 30.727 1.00 0.00 N ATOM 803 CA ALA A 49 31.068 27.507 29.924 1.00 0.00 C ATOM 804 C ALA A 49 31.229 28.773 30.776 1.00 0.00 C ATOM 805 O ALA A 49 30.362 29.083 31.596 1.00 0.00 O ATOM 806 CB ALA A 49 30.159 27.757 28.717 1.00 0.00 C ATOM 0 H ALA A 49 29.543 26.270 30.670 1.00 0.00 H new ATOM 0 HA ALA A 49 32.057 27.238 29.553 1.00 0.00 H new ATOM 0 HB1 ALA A 49 30.553 28.587 28.131 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.122 26.861 28.098 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.154 28.001 29.062 1.00 0.00 H new ATOM 812 N PHE A 50 32.311 29.521 30.534 1.00 0.00 N ATOM 813 CA PHE A 50 32.583 30.829 31.136 1.00 0.00 C ATOM 814 C PHE A 50 33.147 31.795 30.086 1.00 0.00 C ATOM 815 O PHE A 50 34.082 31.456 29.351 1.00 0.00 O ATOM 816 CB PHE A 50 33.540 30.680 32.326 1.00 0.00 C ATOM 817 CG PHE A 50 32.887 30.219 33.613 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.753 28.851 33.914 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.438 31.184 34.534 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.234 28.453 35.162 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.909 30.787 35.774 1.00 0.00 C ATOM 822 CZ PHE A 50 31.835 29.425 36.095 1.00 0.00 C ATOM 0 H PHE A 50 33.045 29.222 29.892 1.00 0.00 H new ATOM 0 HA PHE A 50 31.647 31.247 31.507 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.323 29.970 32.058 1.00 0.00 H new ATOM 0 HB3 PHE A 50 34.027 31.639 32.505 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.048 28.107 33.189 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.500 32.233 34.287 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.143 27.404 35.401 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.561 31.529 36.477 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.469 29.121 37.065 1.00 0.00 H new ATOM 832 N ILE A 51 32.578 33.002 30.020 1.00 0.00 N ATOM 833 CA ILE A 51 32.877 34.007 28.985 1.00 0.00 C ATOM 834 C ILE A 51 32.964 35.410 29.595 1.00 0.00 C ATOM 835 O ILE A 51 32.064 35.819 30.325 1.00 0.00 O ATOM 836 CB ILE A 51 31.830 33.985 27.837 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.449 32.579 27.314 1.00 0.00 C ATOM 838 CG2 ILE A 51 32.386 34.805 26.664 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.221 31.965 28.000 1.00 0.00 C ATOM 0 H ILE A 51 31.882 33.318 30.696 1.00 0.00 H new ATOM 0 HA ILE A 51 33.846 33.748 28.558 1.00 0.00 H new ATOM 0 HB ILE A 51 30.915 34.402 28.258 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.260 32.641 26.242 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.299 31.910 27.449 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.666 34.803 25.845 1.00 0.00 H new ATOM 0 HG22 ILE A 51 32.564 35.830 26.989 1.00 0.00 H new ATOM 0 HG23 ILE A 51 33.323 34.364 26.324 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.021 30.981 27.576 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.412 31.868 29.069 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.356 32.610 27.843 1.00 0.00 H new ATOM 851 N GLU A 52 34.018 36.162 29.278 1.00 0.00 N ATOM 852 CA GLU A 52 34.201 37.571 29.645 1.00 0.00 C ATOM 853 C GLU A 52 33.583 38.513 28.600 1.00 0.00 C ATOM 854 O GLU A 52 33.787 38.325 27.400 1.00 0.00 O ATOM 855 CB GLU A 52 35.703 37.844 29.825 1.00 0.00 C ATOM 856 CG GLU A 52 35.994 39.216 30.445 1.00 0.00 C ATOM 857 CD GLU A 52 37.506 39.438 30.652 1.00 0.00 C ATOM 858 OE1 GLU A 52 38.287 39.307 29.680 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.923 39.764 31.788 1.00 0.00 O ATOM 0 H GLU A 52 34.800 35.794 28.737 1.00 0.00 H new ATOM 0 HA GLU A 52 33.682 37.767 30.583 1.00 0.00 H new ATOM 0 HB2 GLU A 52 36.134 37.067 30.457 1.00 0.00 H new ATOM 0 HB3 GLU A 52 36.197 37.778 28.856 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.596 39.999 29.800 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.479 39.300 31.402 1.00 0.00 H new ATOM 866 N PHE A 53 32.856 39.541 29.045 1.00 0.00 N ATOM 867 CA PHE A 53 32.136 40.517 28.216 1.00 0.00 C ATOM 868 C PHE A 53 32.458 41.962 28.640 1.00 0.00 C ATOM 869 O PHE A 53 32.720 42.236 29.812 1.00 0.00 O ATOM 870 CB PHE A 53 30.618 40.256 28.316 1.00 0.00 C ATOM 871 CG PHE A 53 30.036 39.451 27.169 1.00 0.00 C ATOM 872 CD1 PHE A 53 30.434 38.118 26.949 1.00 0.00 C ATOM 873 CD2 PHE A 53 29.083 40.039 26.316 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.910 37.395 25.862 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.545 39.305 25.246 1.00 0.00 C ATOM 876 CZ PHE A 53 28.971 37.989 25.006 1.00 0.00 C ATOM 0 H PHE A 53 32.747 39.726 30.042 1.00 0.00 H new ATOM 0 HA PHE A 53 32.461 40.397 27.182 1.00 0.00 H new ATOM 0 HB2 PHE A 53 30.414 39.732 29.250 1.00 0.00 H new ATOM 0 HB3 PHE A 53 30.101 41.214 28.369 1.00 0.00 H new ATOM 0 HD1 PHE A 53 31.143 37.650 27.616 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.765 41.057 26.485 1.00 0.00 H new ATOM 0 HE1 PHE A 53 30.232 36.379 25.686 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.801 39.755 24.605 1.00 0.00 H new ATOM 0 HZ PHE A 53 28.577 37.436 24.166 1.00 0.00 H new ATOM 886 N GLU A 54 32.396 42.907 27.695 1.00 0.00 N ATOM 887 CA GLU A 54 32.545 44.345 27.994 1.00 0.00 C ATOM 888 C GLU A 54 31.243 45.024 28.472 1.00 0.00 C ATOM 889 O GLU A 54 31.309 45.998 29.224 1.00 0.00 O ATOM 890 CB GLU A 54 33.155 45.086 26.790 1.00 0.00 C ATOM 891 CG GLU A 54 32.281 45.112 25.527 1.00 0.00 C ATOM 892 CD GLU A 54 32.896 45.931 24.368 1.00 0.00 C ATOM 893 OE1 GLU A 54 34.086 46.328 24.427 1.00 0.00 O ATOM 894 OE2 GLU A 54 32.179 46.176 23.367 1.00 0.00 O ATOM 0 H GLU A 54 32.243 42.704 26.707 1.00 0.00 H new ATOM 0 HA GLU A 54 33.231 44.411 28.839 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.368 46.113 27.086 1.00 0.00 H new ATOM 0 HB3 GLU A 54 34.109 44.621 26.543 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.113 44.089 25.190 1.00 0.00 H new ATOM 0 HG3 GLU A 54 31.306 45.529 25.778 1.00 0.00 H new ATOM 901 N ASP A 55 30.068 44.513 28.076 1.00 0.00 N ATOM 902 CA ASP A 55 28.744 45.108 28.340 1.00 0.00 C ATOM 903 C ASP A 55 27.711 44.056 28.786 1.00 0.00 C ATOM 904 O ASP A 55 27.376 43.142 28.028 1.00 0.00 O ATOM 905 CB ASP A 55 28.226 45.831 27.079 1.00 0.00 C ATOM 906 CG ASP A 55 28.982 47.115 26.688 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.376 47.901 27.580 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.079 47.404 25.472 1.00 0.00 O ATOM 0 H ASP A 55 30.008 43.644 27.545 1.00 0.00 H new ATOM 0 HA ASP A 55 28.870 45.821 29.155 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.269 45.136 26.240 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.176 46.081 27.231 1.00 0.00 H new ATOM 913 N ALA A 56 27.160 44.213 29.998 1.00 0.00 N ATOM 914 CA ALA A 56 26.098 43.353 30.535 1.00 0.00 C ATOM 915 C ALA A 56 24.739 43.570 29.844 1.00 0.00 C ATOM 916 O ALA A 56 24.199 42.655 29.225 1.00 0.00 O ATOM 917 CB ALA A 56 25.986 43.592 32.048 1.00 0.00 C ATOM 0 H ALA A 56 27.444 44.952 30.641 1.00 0.00 H new ATOM 0 HA ALA A 56 26.371 42.317 30.335 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.200 42.959 32.459 1.00 0.00 H new ATOM 0 HB2 ALA A 56 26.935 43.349 32.526 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.743 44.638 32.234 1.00 0.00 H new ATOM 923 N ARG A 57 24.172 44.786 29.939 1.00 0.00 N ATOM 924 CA ARG A 57 22.791 45.091 29.505 1.00 0.00 C ATOM 925 C ARG A 57 22.519 44.850 28.011 1.00 0.00 C ATOM 926 O ARG A 57 21.398 44.511 27.644 1.00 0.00 O ATOM 927 CB ARG A 57 22.355 46.507 29.953 1.00 0.00 C ATOM 928 CG ARG A 57 22.947 47.710 29.187 1.00 0.00 C ATOM 929 CD ARG A 57 24.388 48.053 29.582 1.00 0.00 C ATOM 930 NE ARG A 57 25.007 48.981 28.615 1.00 0.00 N ATOM 931 CZ ARG A 57 26.299 49.075 28.358 1.00 0.00 C ATOM 932 NH1 ARG A 57 27.197 48.521 29.119 1.00 0.00 N ATOM 933 NH2 ARG A 57 26.731 49.709 27.309 1.00 0.00 N ATOM 0 H ARG A 57 24.662 45.594 30.322 1.00 0.00 H new ATOM 0 HA ARG A 57 22.164 44.362 30.018 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.269 46.563 29.880 1.00 0.00 H new ATOM 0 HB3 ARG A 57 22.610 46.620 31.007 1.00 0.00 H new ATOM 0 HG2 ARG A 57 22.915 47.499 28.118 1.00 0.00 H new ATOM 0 HG3 ARG A 57 22.317 48.583 29.358 1.00 0.00 H new ATOM 0 HD2 ARG A 57 24.397 48.501 30.575 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.978 47.138 29.639 1.00 0.00 H new ATOM 0 HE ARG A 57 24.383 49.603 28.101 1.00 0.00 H new ATOM 0 HH11 ARG A 57 26.911 47.994 29.944 1.00 0.00 H new ATOM 0 HH12 ARG A 57 28.187 48.614 28.891 1.00 0.00 H new ATOM 0 HH21 ARG A 57 26.068 50.145 26.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 27.733 49.771 27.127 1.00 0.00 H new ATOM 947 N ASP A 58 23.541 44.976 27.163 1.00 0.00 N ATOM 948 CA ASP A 58 23.453 44.671 25.727 1.00 0.00 C ATOM 949 C ASP A 58 23.290 43.155 25.476 1.00 0.00 C ATOM 950 O ASP A 58 22.427 42.727 24.705 1.00 0.00 O ATOM 951 CB ASP A 58 24.714 45.207 25.028 1.00 0.00 C ATOM 952 CG ASP A 58 24.655 45.106 23.494 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.560 45.273 22.902 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.720 44.908 22.865 1.00 0.00 O ATOM 0 H ASP A 58 24.465 45.296 27.453 1.00 0.00 H new ATOM 0 HA ASP A 58 22.568 45.157 25.316 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.861 46.250 25.310 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.582 44.654 25.388 1.00 0.00 H new ATOM 959 N ALA A 59 24.086 42.340 26.173 1.00 0.00 N ATOM 960 CA ALA A 59 24.055 40.882 26.092 1.00 0.00 C ATOM 961 C ALA A 59 22.889 40.244 26.872 1.00 0.00 C ATOM 962 O ALA A 59 22.447 39.152 26.520 1.00 0.00 O ATOM 963 CB ALA A 59 25.407 40.367 26.593 1.00 0.00 C ATOM 0 H ALA A 59 24.788 42.688 26.826 1.00 0.00 H new ATOM 0 HA ALA A 59 23.883 40.593 25.055 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.421 39.278 26.547 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.204 40.767 25.966 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.560 40.689 27.623 1.00 0.00 H new ATOM 969 N ALA A 60 22.359 40.916 27.899 1.00 0.00 N ATOM 970 CA ALA A 60 21.278 40.404 28.745 1.00 0.00 C ATOM 971 C ALA A 60 19.999 40.068 27.951 1.00 0.00 C ATOM 972 O ALA A 60 19.367 39.046 28.210 1.00 0.00 O ATOM 973 CB ALA A 60 21.001 41.430 29.850 1.00 0.00 C ATOM 0 H ALA A 60 22.675 41.847 28.170 1.00 0.00 H new ATOM 0 HA ALA A 60 21.599 39.459 29.183 1.00 0.00 H new ATOM 0 HB1 ALA A 60 20.198 41.066 30.491 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.902 41.576 30.445 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.705 42.378 29.401 1.00 0.00 H new ATOM 979 N ASP A 61 19.652 40.867 26.934 1.00 0.00 N ATOM 980 CA ASP A 61 18.515 40.588 26.040 1.00 0.00 C ATOM 981 C ASP A 61 18.711 39.310 25.200 1.00 0.00 C ATOM 982 O ASP A 61 17.744 38.600 24.915 1.00 0.00 O ATOM 983 CB ASP A 61 18.265 41.793 25.116 1.00 0.00 C ATOM 984 CG ASP A 61 17.759 43.065 25.825 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.257 42.994 26.973 1.00 0.00 O ATOM 986 OD2 ASP A 61 17.813 44.149 25.197 1.00 0.00 O ATOM 0 H ASP A 61 20.151 41.727 26.705 1.00 0.00 H new ATOM 0 HA ASP A 61 17.646 40.419 26.675 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.192 42.030 24.595 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.538 41.505 24.357 1.00 0.00 H new ATOM 991 N ALA A 62 19.956 38.991 24.829 1.00 0.00 N ATOM 992 CA ALA A 62 20.317 37.765 24.114 1.00 0.00 C ATOM 993 C ALA A 62 20.484 36.545 25.047 1.00 0.00 C ATOM 994 O ALA A 62 20.263 35.411 24.622 1.00 0.00 O ATOM 995 CB ALA A 62 21.596 38.042 23.320 1.00 0.00 C ATOM 0 H ALA A 62 20.757 39.592 25.022 1.00 0.00 H new ATOM 0 HA ALA A 62 19.501 37.498 23.443 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.889 37.144 22.776 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.417 38.852 22.613 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.395 38.328 24.005 1.00 0.00 H new ATOM 1001 N ILE A 63 20.845 36.752 26.319 1.00 0.00 N ATOM 1002 CA ILE A 63 20.951 35.675 27.317 1.00 0.00 C ATOM 1003 C ILE A 63 19.567 35.266 27.858 1.00 0.00 C ATOM 1004 O ILE A 63 19.312 34.076 28.042 1.00 0.00 O ATOM 1005 CB ILE A 63 21.994 36.060 28.405 1.00 0.00 C ATOM 1006 CG1 ILE A 63 23.072 34.968 28.591 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.400 36.486 29.757 1.00 0.00 C ATOM 1008 CD1 ILE A 63 22.586 33.629 29.164 1.00 0.00 C ATOM 0 H ILE A 63 21.073 37.675 26.689 1.00 0.00 H new ATOM 0 HA ILE A 63 21.331 34.769 26.844 1.00 0.00 H new ATOM 0 HB ILE A 63 22.470 36.956 28.007 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.538 34.778 27.624 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.848 35.361 29.248 1.00 0.00 H new ATOM 0 HG21 ILE A 63 22.207 36.734 30.447 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.762 37.359 29.615 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.809 35.668 30.169 1.00 0.00 H new ATOM 0 HD11 ILE A 63 23.428 32.943 29.249 1.00 0.00 H new ATOM 0 HD12 ILE A 63 22.149 33.792 30.149 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.835 33.201 28.501 1.00 0.00 H new ATOM 1020 N LYS A 64 18.633 36.214 28.059 1.00 0.00 N ATOM 1021 CA LYS A 64 17.308 35.921 28.642 1.00 0.00 C ATOM 1022 C LYS A 64 16.371 35.135 27.721 1.00 0.00 C ATOM 1023 O LYS A 64 15.490 34.438 28.215 1.00 0.00 O ATOM 1024 CB LYS A 64 16.670 37.192 29.238 1.00 0.00 C ATOM 1025 CG LYS A 64 16.139 38.260 28.264 1.00 0.00 C ATOM 1026 CD LYS A 64 14.764 37.940 27.646 1.00 0.00 C ATOM 1027 CE LYS A 64 14.107 39.172 27.009 1.00 0.00 C ATOM 1028 NZ LYS A 64 13.536 40.095 28.026 1.00 0.00 N ATOM 0 H LYS A 64 18.772 37.197 27.825 1.00 0.00 H new ATOM 0 HA LYS A 64 17.482 35.231 29.468 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.843 36.882 29.877 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.410 37.666 29.882 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.073 39.212 28.791 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.863 38.390 27.459 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.880 37.163 26.891 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.107 37.539 28.417 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.845 39.706 26.410 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.318 38.850 26.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.103 40.912 27.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.813 39.595 28.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.292 40.424 28.659 1.00 0.00 H new ATOM 1042 N GLU A 65 16.578 35.159 26.403 1.00 0.00 N ATOM 1043 CA GLU A 65 15.852 34.277 25.461 1.00 0.00 C ATOM 1044 C GLU A 65 16.255 32.789 25.591 1.00 0.00 C ATOM 1045 O GLU A 65 15.605 31.921 25.005 1.00 0.00 O ATOM 1046 CB GLU A 65 15.978 34.787 24.012 1.00 0.00 C ATOM 1047 CG GLU A 65 17.425 34.890 23.509 1.00 0.00 C ATOM 1048 CD GLU A 65 17.562 34.993 21.975 1.00 0.00 C ATOM 1049 OE1 GLU A 65 16.637 35.499 21.293 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.621 34.580 21.438 1.00 0.00 O ATOM 0 H GLU A 65 17.247 35.783 25.952 1.00 0.00 H new ATOM 0 HA GLU A 65 14.799 34.322 25.739 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.422 34.120 23.353 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.509 35.768 23.941 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.893 35.764 23.963 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.979 34.017 23.853 1.00 0.00 H new ATOM 1057 N LYS A 66 17.300 32.483 26.381 1.00 0.00 N ATOM 1058 CA LYS A 66 17.762 31.127 26.730 1.00 0.00 C ATOM 1059 C LYS A 66 17.374 30.703 28.160 1.00 0.00 C ATOM 1060 O LYS A 66 17.883 29.701 28.660 1.00 0.00 O ATOM 1061 CB LYS A 66 19.287 31.019 26.486 1.00 0.00 C ATOM 1062 CG LYS A 66 19.775 31.529 25.118 1.00 0.00 C ATOM 1063 CD LYS A 66 19.167 30.767 23.928 1.00 0.00 C ATOM 1064 CE LYS A 66 19.541 31.457 22.614 1.00 0.00 C ATOM 1065 NZ LYS A 66 18.998 30.723 21.442 1.00 0.00 N ATOM 0 H LYS A 66 17.872 33.208 26.814 1.00 0.00 H new ATOM 0 HA LYS A 66 17.247 30.423 26.076 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.803 31.576 27.268 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.582 29.975 26.592 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.531 32.587 25.025 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.861 31.448 25.075 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.527 29.738 23.923 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.083 30.724 24.029 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.158 32.477 22.615 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.626 31.524 22.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.269 31.216 20.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.383 29.757 21.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.961 30.681 21.509 1.00 0.00 H new ATOM 1079 N ASP A 67 16.505 31.463 28.837 1.00 0.00 N ATOM 1080 CA ASP A 67 16.046 31.177 30.209 1.00 0.00 C ATOM 1081 C ASP A 67 15.159 29.910 30.329 1.00 0.00 C ATOM 1082 O ASP A 67 14.884 29.208 29.351 1.00 0.00 O ATOM 1083 CB ASP A 67 15.369 32.423 30.820 1.00 0.00 C ATOM 1084 CG ASP A 67 13.946 32.764 30.321 1.00 0.00 C ATOM 1085 OD1 ASP A 67 13.413 32.118 29.387 1.00 0.00 O ATOM 1086 OD2 ASP A 67 13.326 33.677 30.919 1.00 0.00 O ATOM 0 H ASP A 67 16.092 32.309 28.444 1.00 0.00 H new ATOM 0 HA ASP A 67 16.937 30.942 30.792 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.326 32.289 31.901 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.010 33.284 30.630 1.00 0.00 H new ATOM 1091 N GLY A 68 14.730 29.596 31.560 1.00 0.00 N ATOM 1092 CA GLY A 68 14.011 28.361 31.893 1.00 0.00 C ATOM 1093 C GLY A 68 14.979 27.198 32.131 1.00 0.00 C ATOM 1094 O GLY A 68 15.030 26.245 31.349 1.00 0.00 O ATOM 0 H GLY A 68 14.876 30.205 32.365 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.405 28.520 32.785 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.327 28.107 31.084 1.00 0.00 H new ATOM 1098 N CYS A 69 15.779 27.304 33.196 1.00 0.00 N ATOM 1099 CA CYS A 69 16.811 26.334 33.566 1.00 0.00 C ATOM 1100 C CYS A 69 16.243 24.919 33.824 1.00 0.00 C ATOM 1101 O CYS A 69 15.162 24.744 34.395 1.00 0.00 O ATOM 1102 CB CYS A 69 17.607 26.885 34.765 1.00 0.00 C ATOM 1103 SG CYS A 69 16.526 27.369 36.146 1.00 0.00 S ATOM 0 H CYS A 69 15.724 28.091 33.843 1.00 0.00 H new ATOM 0 HA CYS A 69 17.489 26.206 32.722 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.314 26.129 35.107 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.192 27.747 34.445 1.00 0.00 H new ATOM 0 HG CYS A 69 17.250 27.822 37.126 1.00 0.00 H new ATOM 1109 N ASP A 70 16.989 23.904 33.383 1.00 0.00 N ATOM 1110 CA ASP A 70 16.618 22.484 33.419 1.00 0.00 C ATOM 1111 C ASP A 70 17.384 21.705 34.504 1.00 0.00 C ATOM 1112 O ASP A 70 18.605 21.837 34.638 1.00 0.00 O ATOM 1113 CB ASP A 70 16.848 21.874 32.021 1.00 0.00 C ATOM 1114 CG ASP A 70 15.548 21.599 31.245 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.562 21.111 31.847 1.00 0.00 O ATOM 1116 OD2 ASP A 70 15.535 21.795 30.008 1.00 0.00 O ATOM 0 H ASP A 70 17.910 24.054 32.972 1.00 0.00 H new ATOM 0 HA ASP A 70 15.564 22.407 33.684 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.473 22.550 31.438 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.401 20.941 32.128 1.00 0.00 H new ATOM 1121 N PHE A 71 16.651 20.879 35.258 1.00 0.00 N ATOM 1122 CA PHE A 71 17.118 20.099 36.414 1.00 0.00 C ATOM 1123 C PHE A 71 16.208 18.875 36.682 1.00 0.00 C ATOM 1124 O PHE A 71 15.171 18.708 36.035 1.00 0.00 O ATOM 1125 CB PHE A 71 17.217 21.027 37.644 1.00 0.00 C ATOM 1126 CG PHE A 71 16.040 21.964 37.880 1.00 0.00 C ATOM 1127 CD1 PHE A 71 14.807 21.468 38.350 1.00 0.00 C ATOM 1128 CD2 PHE A 71 16.185 23.344 37.638 1.00 0.00 C ATOM 1129 CE1 PHE A 71 13.734 22.346 38.583 1.00 0.00 C ATOM 1130 CE2 PHE A 71 15.112 24.222 37.874 1.00 0.00 C ATOM 1131 CZ PHE A 71 13.886 23.724 38.349 1.00 0.00 C ATOM 0 H PHE A 71 15.660 20.727 35.069 1.00 0.00 H new ATOM 0 HA PHE A 71 18.108 19.698 36.198 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.343 20.406 38.531 1.00 0.00 H new ATOM 0 HB3 PHE A 71 18.120 21.630 37.546 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.686 20.410 38.532 1.00 0.00 H new ATOM 0 HD2 PHE A 71 17.124 23.730 37.270 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.791 21.961 38.942 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.230 25.280 37.690 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.063 24.398 38.534 1.00 0.00 H new ATOM 1141 N GLU A 72 16.589 18.017 37.640 1.00 0.00 N ATOM 1142 CA GLU A 72 15.823 16.839 38.114 1.00 0.00 C ATOM 1143 C GLU A 72 15.439 15.817 37.017 1.00 0.00 C ATOM 1144 O GLU A 72 14.412 15.139 37.091 1.00 0.00 O ATOM 1145 CB GLU A 72 14.640 17.268 39.010 1.00 0.00 C ATOM 1146 CG GLU A 72 15.103 17.979 40.293 1.00 0.00 C ATOM 1147 CD GLU A 72 13.955 18.207 41.296 1.00 0.00 C ATOM 1148 OE1 GLU A 72 12.801 18.491 40.881 1.00 0.00 O ATOM 1149 OE2 GLU A 72 14.200 18.123 42.525 1.00 0.00 O ATOM 0 H GLU A 72 17.477 18.124 38.131 1.00 0.00 H new ATOM 0 HA GLU A 72 16.513 16.268 38.736 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.984 17.931 38.447 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.053 16.389 39.277 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.884 17.387 40.770 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.547 18.939 40.031 1.00 0.00 H new ATOM 1156 N GLY A 73 16.285 15.701 35.987 1.00 0.00 N ATOM 1157 CA GLY A 73 16.154 14.752 34.873 1.00 0.00 C ATOM 1158 C GLY A 73 16.823 15.265 33.595 1.00 0.00 C ATOM 1159 O GLY A 73 17.499 14.509 32.892 1.00 0.00 O ATOM 0 H GLY A 73 17.114 16.289 35.902 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.599 13.798 35.156 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.098 14.566 34.679 1.00 0.00 H new ATOM 1163 N ASN A 74 16.700 16.570 33.345 1.00 0.00 N ATOM 1164 CA ASN A 74 17.440 17.314 32.321 1.00 0.00 C ATOM 1165 C ASN A 74 18.656 18.035 32.938 1.00 0.00 C ATOM 1166 O ASN A 74 18.647 18.360 34.128 1.00 0.00 O ATOM 1167 CB ASN A 74 16.481 18.311 31.652 1.00 0.00 C ATOM 1168 CG ASN A 74 15.241 17.690 31.021 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.236 16.565 30.539 1.00 0.00 O ATOM 1170 ND2 ASN A 74 14.146 18.416 31.003 1.00 0.00 N ATOM 0 H ASN A 74 16.057 17.162 33.871 1.00 0.00 H new ATOM 0 HA ASN A 74 17.826 16.624 31.570 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.164 19.042 32.396 1.00 0.00 H new ATOM 0 HB3 ASN A 74 17.027 18.856 30.882 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.293 18.042 30.588 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.149 19.354 31.404 1.00 0.00 H new ATOM 1177 N LYS A 75 19.691 18.318 32.132 1.00 0.00 N ATOM 1178 CA LYS A 75 20.917 19.044 32.523 1.00 0.00 C ATOM 1179 C LYS A 75 21.156 20.220 31.561 1.00 0.00 C ATOM 1180 O LYS A 75 21.780 20.046 30.514 1.00 0.00 O ATOM 1181 CB LYS A 75 22.130 18.079 32.551 1.00 0.00 C ATOM 1182 CG LYS A 75 22.410 17.417 33.911 1.00 0.00 C ATOM 1183 CD LYS A 75 21.418 16.316 34.327 1.00 0.00 C ATOM 1184 CE LYS A 75 20.703 16.628 35.650 1.00 0.00 C ATOM 1185 NZ LYS A 75 21.611 16.523 36.824 1.00 0.00 N ATOM 0 H LYS A 75 19.701 18.038 31.151 1.00 0.00 H new ATOM 0 HA LYS A 75 20.792 19.447 33.528 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.968 17.296 31.810 1.00 0.00 H new ATOM 0 HB3 LYS A 75 23.019 18.630 32.243 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.412 16.989 33.888 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.411 18.190 34.679 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.675 16.186 33.540 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.951 15.370 34.422 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.286 17.634 35.606 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.866 15.941 35.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.082 16.742 37.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.990 15.556 36.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.396 17.197 36.717 1.00 0.00 H new ATOM 1199 N LEU A 76 20.617 21.399 31.890 1.00 0.00 N ATOM 1200 CA LEU A 76 20.758 22.633 31.094 1.00 0.00 C ATOM 1201 C LEU A 76 20.403 23.875 31.942 1.00 0.00 C ATOM 1202 O LEU A 76 19.338 24.480 31.797 1.00 0.00 O ATOM 1203 CB LEU A 76 19.915 22.507 29.792 1.00 0.00 C ATOM 1204 CG LEU A 76 20.771 22.537 28.512 1.00 0.00 C ATOM 1205 CD1 LEU A 76 19.932 22.109 27.307 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.324 23.938 28.240 1.00 0.00 C ATOM 0 H LEU A 76 20.058 21.529 32.733 1.00 0.00 H new ATOM 0 HA LEU A 76 21.797 22.769 30.792 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.349 21.576 29.822 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.190 23.320 29.756 1.00 0.00 H new ATOM 0 HG LEU A 76 21.602 21.848 28.662 1.00 0.00 H new ATOM 0 HD11 LEU A 76 20.547 22.134 26.408 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.560 21.097 27.464 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.090 22.791 27.189 1.00 0.00 H new ATOM 0 HD21 LEU A 76 21.923 23.922 27.330 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.497 24.638 28.119 1.00 0.00 H new ATOM 0 HD23 LEU A 76 21.946 24.253 29.078 1.00 0.00 H new ATOM 1218 N ARG A 77 21.284 24.258 32.876 1.00 0.00 N ATOM 1219 CA ARG A 77 21.108 25.476 33.694 1.00 0.00 C ATOM 1220 C ARG A 77 21.665 26.706 32.971 1.00 0.00 C ATOM 1221 O ARG A 77 22.811 26.707 32.529 1.00 0.00 O ATOM 1222 CB ARG A 77 21.701 25.252 35.100 1.00 0.00 C ATOM 1223 CG ARG A 77 21.739 26.532 35.958 1.00 0.00 C ATOM 1224 CD ARG A 77 22.022 26.234 37.438 1.00 0.00 C ATOM 1225 NE ARG A 77 20.830 25.696 38.124 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.793 25.145 39.324 1.00 0.00 C ATOM 1227 NH1 ARG A 77 21.859 24.978 40.043 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.661 24.750 39.836 1.00 0.00 N ATOM 0 H ARG A 77 22.136 23.739 33.089 1.00 0.00 H new ATOM 0 HA ARG A 77 20.046 25.680 33.834 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.114 24.494 35.618 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.713 24.859 35.001 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.506 27.203 35.572 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.786 27.054 35.871 1.00 0.00 H new ATOM 0 HD2 ARG A 77 22.840 25.518 37.515 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.348 27.146 37.937 1.00 0.00 H new ATOM 0 HE ARG A 77 19.945 25.756 37.620 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.767 25.276 39.686 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.790 24.548 40.965 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.795 24.865 39.309 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.641 24.325 40.763 1.00 0.00 H new ATOM 1242 N VAL A 78 20.871 27.776 32.900 1.00 0.00 N ATOM 1243 CA VAL A 78 21.261 29.080 32.333 1.00 0.00 C ATOM 1244 C VAL A 78 21.093 30.166 33.397 1.00 0.00 C ATOM 1245 O VAL A 78 20.033 30.296 34.011 1.00 0.00 O ATOM 1246 CB VAL A 78 20.488 29.387 31.035 1.00 0.00 C ATOM 1247 CG1 VAL A 78 20.855 30.764 30.466 1.00 0.00 C ATOM 1248 CG2 VAL A 78 20.801 28.333 29.961 1.00 0.00 C ATOM 0 H VAL A 78 19.911 27.765 33.244 1.00 0.00 H new ATOM 0 HA VAL A 78 22.312 29.050 32.047 1.00 0.00 H new ATOM 0 HB VAL A 78 19.428 29.373 31.290 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.289 30.942 29.552 1.00 0.00 H new ATOM 0 HG12 VAL A 78 20.615 31.536 31.198 1.00 0.00 H new ATOM 0 HG13 VAL A 78 21.922 30.793 30.244 1.00 0.00 H new ATOM 0 HG21 VAL A 78 20.247 28.565 29.051 1.00 0.00 H new ATOM 0 HG22 VAL A 78 21.870 28.338 29.746 1.00 0.00 H new ATOM 0 HG23 VAL A 78 20.509 27.347 30.323 1.00 0.00 H new ATOM 1258 N GLU A 79 22.170 30.907 33.645 1.00 0.00 N ATOM 1259 CA GLU A 79 22.349 31.861 34.749 1.00 0.00 C ATOM 1260 C GLU A 79 23.515 32.798 34.385 1.00 0.00 C ATOM 1261 O GLU A 79 24.486 32.349 33.777 1.00 0.00 O ATOM 1262 CB GLU A 79 22.604 31.053 36.047 1.00 0.00 C ATOM 1263 CG GLU A 79 23.445 31.715 37.148 1.00 0.00 C ATOM 1264 CD GLU A 79 22.936 33.078 37.650 1.00 0.00 C ATOM 1265 OE1 GLU A 79 21.768 33.451 37.392 1.00 0.00 O ATOM 1266 OE2 GLU A 79 23.739 33.788 38.301 1.00 0.00 O ATOM 0 H GLU A 79 22.995 30.858 33.047 1.00 0.00 H new ATOM 0 HA GLU A 79 21.467 32.480 34.914 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.636 30.793 36.475 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.091 30.118 35.770 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.500 31.033 37.997 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.461 31.842 36.776 1.00 0.00 H new ATOM 1273 N VAL A 80 23.444 34.092 34.723 1.00 0.00 N ATOM 1274 CA VAL A 80 24.403 35.098 34.231 1.00 0.00 C ATOM 1275 C VAL A 80 25.032 35.940 35.366 1.00 0.00 C ATOM 1276 O VAL A 80 24.354 36.788 35.953 1.00 0.00 O ATOM 1277 CB VAL A 80 23.769 35.915 33.081 1.00 0.00 C ATOM 1278 CG1 VAL A 80 22.729 36.964 33.498 1.00 0.00 C ATOM 1279 CG2 VAL A 80 24.859 36.589 32.249 1.00 0.00 C ATOM 0 H VAL A 80 22.727 34.472 35.341 1.00 0.00 H new ATOM 0 HA VAL A 80 25.264 34.584 33.804 1.00 0.00 H new ATOM 0 HB VAL A 80 23.217 35.177 32.498 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.352 37.475 32.612 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.903 36.473 34.012 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.192 37.690 34.166 1.00 0.00 H new ATOM 0 HG21 VAL A 80 24.400 37.161 31.443 1.00 0.00 H new ATOM 0 HG22 VAL A 80 25.440 37.258 32.884 1.00 0.00 H new ATOM 0 HG23 VAL A 80 25.516 35.829 31.826 1.00 0.00 H new ATOM 1289 N PRO A 81 26.332 35.764 35.686 1.00 0.00 N ATOM 1290 CA PRO A 81 27.061 36.588 36.660 1.00 0.00 C ATOM 1291 C PRO A 81 27.438 37.989 36.117 1.00 0.00 C ATOM 1292 O PRO A 81 28.567 38.465 36.263 1.00 0.00 O ATOM 1293 CB PRO A 81 28.234 35.718 37.133 1.00 0.00 C ATOM 1294 CG PRO A 81 28.531 34.820 35.937 1.00 0.00 C ATOM 1295 CD PRO A 81 27.161 34.632 35.287 1.00 0.00 C ATOM 0 HA PRO A 81 26.441 36.858 37.515 1.00 0.00 H new ATOM 0 HB2 PRO A 81 29.099 36.325 37.401 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.968 35.134 38.014 1.00 0.00 H new ATOM 0 HG2 PRO A 81 29.240 35.284 35.252 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.963 33.868 36.246 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.254 34.587 34.202 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.709 33.693 35.607 1.00 0.00 H new ATOM 1303 N PHE A 82 26.467 38.684 35.511 1.00 0.00 N ATOM 1304 CA PHE A 82 26.501 40.131 35.263 1.00 0.00 C ATOM 1305 C PHE A 82 26.161 40.952 36.520 1.00 0.00 C ATOM 1306 O PHE A 82 26.601 42.097 36.637 1.00 0.00 O ATOM 1307 CB PHE A 82 25.491 40.480 34.153 1.00 0.00 C ATOM 1308 CG PHE A 82 25.791 40.033 32.728 1.00 0.00 C ATOM 1309 CD1 PHE A 82 27.072 39.595 32.336 1.00 0.00 C ATOM 1310 CD2 PHE A 82 24.767 40.104 31.763 1.00 0.00 C ATOM 1311 CE1 PHE A 82 27.328 39.236 31.002 1.00 0.00 C ATOM 1312 CE2 PHE A 82 25.018 39.734 30.430 1.00 0.00 C ATOM 1313 CZ PHE A 82 26.301 39.303 30.048 1.00 0.00 C ATOM 0 H PHE A 82 25.613 38.243 35.170 1.00 0.00 H new ATOM 0 HA PHE A 82 27.518 40.386 34.963 1.00 0.00 H new ATOM 0 HB2 PHE A 82 24.528 40.057 34.437 1.00 0.00 H new ATOM 0 HB3 PHE A 82 25.372 41.563 34.142 1.00 0.00 H new ATOM 0 HD1 PHE A 82 27.864 39.535 33.068 1.00 0.00 H new ATOM 0 HD2 PHE A 82 23.783 40.445 32.049 1.00 0.00 H new ATOM 0 HE1 PHE A 82 28.315 38.909 30.711 1.00 0.00 H new ATOM 0 HE2 PHE A 82 24.225 39.781 29.699 1.00 0.00 H new ATOM 0 HZ PHE A 82 26.495 39.024 29.023 1.00 0.00 H new ATOM 1323 N ASN A 83 25.366 40.391 37.443 1.00 0.00 N ATOM 1324 CA ASN A 83 24.843 41.058 38.651 1.00 0.00 C ATOM 1325 C ASN A 83 24.021 42.344 38.368 1.00 0.00 C ATOM 1326 O ASN A 83 23.916 43.219 39.233 1.00 0.00 O ATOM 1327 CB ASN A 83 25.970 41.243 39.692 1.00 0.00 C ATOM 1328 CG ASN A 83 26.746 39.968 39.977 1.00 0.00 C ATOM 1329 OD1 ASN A 83 27.860 39.765 39.514 1.00 0.00 O ATOM 1330 ND2 ASN A 83 26.182 39.054 40.736 1.00 0.00 N ATOM 0 H ASN A 83 25.056 39.422 37.368 1.00 0.00 H new ATOM 0 HA ASN A 83 24.100 40.392 39.090 1.00 0.00 H new ATOM 0 HB2 ASN A 83 26.661 42.008 39.336 1.00 0.00 H new ATOM 0 HB3 ASN A 83 25.538 41.612 40.622 1.00 0.00 H new ATOM 0 HD21 ASN A 83 26.673 38.183 40.935 1.00 0.00 H new ATOM 0 HD22 ASN A 83 25.253 39.217 41.125 1.00 0.00 H new ATOM 1337 N ALA A 84 23.421 42.435 37.170 1.00 0.00 N ATOM 1338 CA ALA A 84 22.689 43.587 36.616 1.00 0.00 C ATOM 1339 C ALA A 84 23.516 44.894 36.471 1.00 0.00 C ATOM 1340 O ALA A 84 24.654 45.005 36.942 1.00 0.00 O ATOM 1341 CB ALA A 84 21.367 43.773 37.380 1.00 0.00 C ATOM 0 H ALA A 84 23.435 41.651 36.517 1.00 0.00 H new ATOM 0 HA ALA A 84 22.463 43.347 35.577 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.826 44.626 36.969 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.759 42.874 37.278 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.578 43.951 38.434 1.00 0.00 H new ATOM 1347 N ARG A 85 22.941 45.888 35.781 1.00 0.00 N ATOM 1348 CA ARG A 85 23.548 47.204 35.492 1.00 0.00 C ATOM 1349 C ARG A 85 22.501 48.323 35.468 1.00 0.00 C ATOM 1350 O ARG A 85 21.389 48.124 34.977 1.00 0.00 O ATOM 1351 CB ARG A 85 24.319 47.144 34.149 1.00 0.00 C ATOM 1352 CG ARG A 85 25.850 47.176 34.306 1.00 0.00 C ATOM 1353 CD ARG A 85 26.358 48.551 34.761 1.00 0.00 C ATOM 1354 NE ARG A 85 27.833 48.590 34.818 1.00 0.00 N ATOM 1355 CZ ARG A 85 28.583 49.652 35.057 1.00 0.00 C ATOM 1356 NH1 ARG A 85 28.072 50.825 35.307 1.00 0.00 N ATOM 1357 NH2 ARG A 85 29.880 49.553 35.047 1.00 0.00 N ATOM 0 H ARG A 85 22.003 45.799 35.391 1.00 0.00 H new ATOM 0 HA ARG A 85 24.246 47.437 36.296 1.00 0.00 H new ATOM 0 HB2 ARG A 85 24.037 46.234 33.620 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.010 47.983 33.526 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.155 46.420 35.030 1.00 0.00 H new ATOM 0 HG3 ARG A 85 26.316 46.914 33.356 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.999 49.318 34.075 1.00 0.00 H new ATOM 0 HD3 ARG A 85 25.948 48.785 35.744 1.00 0.00 H new ATOM 0 HE ARG A 85 28.322 47.710 34.657 1.00 0.00 H new ATOM 0 HH11 ARG A 85 27.059 50.947 35.323 1.00 0.00 H new ATOM 0 HH12 ARG A 85 28.685 51.620 35.487 1.00 0.00 H new ATOM 0 HH21 ARG A 85 30.321 48.654 34.854 1.00 0.00 H new ATOM 0 HH22 ARG A 85 30.456 50.375 35.232 1.00 0.00 H new ATOM 1371 N GLU A 86 22.896 49.501 35.965 1.00 0.00 N ATOM 1372 CA GLU A 86 22.114 50.760 36.013 1.00 0.00 C ATOM 1373 C GLU A 86 20.689 50.597 36.593 1.00 0.00 C ATOM 1374 O GLU A 86 19.683 50.877 35.897 1.00 0.00 O ATOM 1375 CB GLU A 86 22.159 51.477 34.644 1.00 0.00 C ATOM 1376 CG GLU A 86 23.591 51.813 34.181 1.00 0.00 C ATOM 1377 CD GLU A 86 23.634 52.640 32.876 1.00 0.00 C ATOM 1378 OE1 GLU A 86 22.810 53.570 32.684 1.00 0.00 O ATOM 1379 OE2 GLU A 86 24.525 52.383 32.026 1.00 0.00 O ATOM 1380 OXT GLU A 86 20.587 50.214 37.781 1.00 0.00 O ATOM 0 H GLU A 86 23.825 49.617 36.371 1.00 0.00 H new ATOM 0 HA GLU A 86 22.600 51.414 36.737 1.00 0.00 H new ATOM 0 HB2 GLU A 86 21.680 50.846 33.895 1.00 0.00 H new ATOM 0 HB3 GLU A 86 21.578 52.397 34.704 1.00 0.00 H new ATOM 0 HG2 GLU A 86 24.100 52.366 34.970 1.00 0.00 H new ATOM 0 HG3 GLU A 86 24.145 50.886 34.034 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.872 23.022 41.367 1.00 0.00 O ATOM 1389 C5' A B 101 24.500 22.928 40.091 1.00 0.00 C ATOM 1390 C4' A B 101 25.429 24.117 39.796 1.00 0.00 C ATOM 1391 O4' A B 101 24.699 25.342 39.670 1.00 0.00 O ATOM 1392 C3' A B 101 26.527 24.299 40.867 1.00 0.00 C ATOM 1393 O3' A B 101 27.770 24.250 40.181 1.00 0.00 O ATOM 1394 C2' A B 101 26.123 25.651 41.493 1.00 0.00 C ATOM 1395 O2' A B 101 27.152 26.458 42.062 1.00 0.00 O ATOM 1396 C1' A B 101 25.464 26.351 40.309 1.00 0.00 C ATOM 1397 N9 A B 101 24.642 27.527 40.704 1.00 0.00 N ATOM 1398 C8 A B 101 24.752 28.811 40.223 1.00 0.00 C ATOM 1399 N7 A B 101 23.945 29.674 40.784 1.00 0.00 N ATOM 1400 C5 A B 101 23.238 28.892 41.714 1.00 0.00 C ATOM 1401 C6 A B 101 22.224 29.150 42.673 1.00 0.00 C ATOM 1402 N6 A B 101 21.683 30.328 42.924 1.00 0.00 N ATOM 1403 N1 A B 101 21.724 28.178 43.439 1.00 0.00 N ATOM 1404 C2 A B 101 22.212 26.955 43.275 1.00 0.00 C ATOM 1405 N3 A B 101 23.156 26.560 42.427 1.00 0.00 N ATOM 1406 C4 A B 101 23.645 27.582 41.662 1.00 0.00 C ATOM 0 H5' A B 101 23.734 22.870 39.317 1.00 0.00 H new ATOM 0 H5'' A B 101 25.074 22.003 40.041 1.00 0.00 H new ATOM 0 H4' A B 101 25.909 23.879 38.847 1.00 0.00 H new ATOM 0 H3' A B 101 26.627 23.556 41.658 1.00 0.00 H new ATOM 0 H2' A B 101 25.503 25.483 42.374 1.00 0.00 H new ATOM 0 HO2' A B 101 26.782 27.329 42.317 1.00 0.00 H new ATOM 0 HO5' A B 101 23.292 22.244 41.504 1.00 0.00 H new ATOM 0 H1' A B 101 26.210 26.781 39.640 1.00 0.00 H new ATOM 0 H8 A B 101 25.449 29.085 39.445 1.00 0.00 H new ATOM 0 H61 A B 101 20.957 30.415 43.635 1.00 0.00 H new ATOM 0 H62 A B 101 21.991 31.151 42.407 1.00 0.00 H new ATOM 0 H2 A B 101 21.791 26.187 43.907 1.00 0.00 H new ATOM 1419 P C B 102 29.186 24.126 40.940 1.00 0.00 P ATOM 1420 OP1 C B 102 29.970 23.066 40.262 1.00 0.00 O ATOM 1421 OP2 C B 102 28.977 24.007 42.407 1.00 0.00 O ATOM 1422 O5' C B 102 29.860 25.552 40.612 1.00 0.00 O ATOM 1423 C5' C B 102 30.294 25.838 39.289 1.00 0.00 C ATOM 1424 C4' C B 102 30.743 27.292 39.080 1.00 0.00 C ATOM 1425 O4' C B 102 29.643 28.199 38.990 1.00 0.00 O ATOM 1426 C3' C B 102 31.671 27.827 40.180 1.00 0.00 C ATOM 1427 O3' C B 102 32.731 28.570 39.585 1.00 0.00 O ATOM 1428 C2' C B 102 30.719 28.778 40.924 1.00 0.00 C ATOM 1429 O2' C B 102 31.424 29.720 41.728 1.00 0.00 O ATOM 1430 C1' C B 102 29.969 29.380 39.723 1.00 0.00 C ATOM 1431 N1 C B 102 28.744 30.242 39.879 1.00 0.00 N ATOM 1432 C2 C B 102 28.481 31.021 41.030 1.00 0.00 C ATOM 1433 O2 C B 102 29.103 30.916 42.086 1.00 0.00 O ATOM 1434 N3 C B 102 27.497 31.958 41.023 1.00 0.00 N ATOM 1435 C4 C B 102 26.776 32.122 39.935 1.00 0.00 C ATOM 1436 N4 C B 102 25.872 33.061 40.015 1.00 0.00 N ATOM 1437 C5 C B 102 26.976 31.369 38.752 1.00 0.00 C ATOM 1438 C6 C B 102 27.967 30.443 38.760 1.00 0.00 C ATOM 0 H5' C B 102 29.483 25.616 38.595 1.00 0.00 H new ATOM 0 H5'' C B 102 31.120 25.173 39.037 1.00 0.00 H new ATOM 0 H4' C B 102 31.289 27.248 38.138 1.00 0.00 H new ATOM 0 H3' C B 102 32.133 27.064 40.807 1.00 0.00 H new ATOM 0 H2' C B 102 30.059 28.321 41.662 1.00 0.00 H new ATOM 0 HO2' C B 102 30.827 30.461 41.962 1.00 0.00 H new ATOM 0 H1' C B 102 30.620 30.138 39.288 1.00 0.00 H new ATOM 0 H41 C B 102 25.268 33.256 39.217 1.00 0.00 H new ATOM 0 H42 C B 102 25.770 33.599 40.876 1.00 0.00 H new ATOM 0 H5 C B 102 26.363 31.526 37.877 1.00 0.00 H new ATOM 0 H6 C B 102 28.150 29.853 37.874 1.00 0.00 H new ATOM 1450 P A B 103 34.073 27.874 39.106 1.00 0.00 P ATOM 1451 OP1 A B 103 33.754 26.693 38.278 1.00 0.00 O ATOM 1452 OP2 A B 103 34.998 27.730 40.253 1.00 0.00 O ATOM 1453 O5' A B 103 34.693 28.959 38.102 1.00 0.00 O ATOM 1454 C5' A B 103 34.952 30.282 38.534 1.00 0.00 C ATOM 1455 C4' A B 103 35.840 31.033 37.526 1.00 0.00 C ATOM 1456 O4' A B 103 35.049 31.663 36.526 1.00 0.00 O ATOM 1457 C3' A B 103 36.697 32.112 38.223 1.00 0.00 C ATOM 1458 O3' A B 103 38.110 31.922 38.166 1.00 0.00 O ATOM 1459 C2' A B 103 36.307 33.421 37.506 1.00 0.00 C ATOM 1460 O2' A B 103 37.293 33.838 36.569 1.00 0.00 O ATOM 1461 C1' A B 103 35.044 33.070 36.717 1.00 0.00 C ATOM 1462 N9 A B 103 33.760 33.542 37.316 1.00 0.00 N ATOM 1463 C8 A B 103 32.690 34.058 36.621 1.00 0.00 C ATOM 1464 N7 A B 103 31.647 34.354 37.348 1.00 0.00 N ATOM 1465 C5 A B 103 32.062 34.010 38.641 1.00 0.00 C ATOM 1466 C6 A B 103 31.444 34.031 39.918 1.00 0.00 C ATOM 1467 N6 A B 103 30.204 34.408 40.158 1.00 0.00 N ATOM 1468 N1 A B 103 32.101 33.646 41.012 1.00 0.00 N ATOM 1469 C2 A B 103 33.354 33.238 40.865 1.00 0.00 C ATOM 1470 N3 A B 103 34.067 33.170 39.743 1.00 0.00 N ATOM 1471 C4 A B 103 33.355 33.550 38.642 1.00 0.00 C ATOM 0 H5' A B 103 35.441 30.260 39.508 1.00 0.00 H new ATOM 0 H5'' A B 103 34.011 30.816 38.662 1.00 0.00 H new ATOM 0 H4' A B 103 36.496 30.292 37.069 1.00 0.00 H new ATOM 0 H3' A B 103 36.493 32.093 39.294 1.00 0.00 H new ATOM 0 H2' A B 103 36.184 34.224 38.232 1.00 0.00 H new ATOM 0 HO2' A B 103 38.122 33.339 36.723 1.00 0.00 H new ATOM 0 H1' A B 103 35.081 33.609 35.770 1.00 0.00 H new ATOM 0 H8 A B 103 32.712 34.207 35.552 1.00 0.00 H new ATOM 0 H61 A B 103 29.841 34.391 41.111 1.00 0.00 H new ATOM 0 H62 A B 103 29.607 34.717 39.391 1.00 0.00 H new ATOM 0 H2 A B 103 33.858 32.922 41.766 1.00 0.00 H new ATOM 1483 P U B 104 38.830 30.554 38.612 1.00 0.00 P ATOM 1484 OP1 U B 104 37.939 29.800 39.525 1.00 0.00 O ATOM 1485 OP2 U B 104 40.201 30.878 39.066 1.00 0.00 O ATOM 1486 O5' U B 104 38.915 29.764 37.212 1.00 0.00 O ATOM 1487 C5' U B 104 39.882 30.152 36.246 1.00 0.00 C ATOM 1488 C4' U B 104 39.703 29.477 34.878 1.00 0.00 C ATOM 1489 O4' U B 104 38.495 29.928 34.271 1.00 0.00 O ATOM 1490 C3' U B 104 40.879 29.836 33.950 1.00 0.00 C ATOM 1491 O3' U B 104 41.888 28.840 33.772 1.00 0.00 O ATOM 1492 C2' U B 104 40.199 30.093 32.593 1.00 0.00 C ATOM 1493 O2' U B 104 40.293 28.963 31.732 1.00 0.00 O ATOM 1494 C1' U B 104 38.717 30.292 32.918 1.00 0.00 C ATOM 1495 N1 U B 104 38.179 31.658 32.644 1.00 0.00 N ATOM 1496 C2 U B 104 38.715 32.774 33.310 1.00 0.00 C ATOM 1497 O2 U B 104 39.756 32.760 33.966 1.00 0.00 O ATOM 1498 N3 U B 104 38.035 33.967 33.177 1.00 0.00 N ATOM 1499 C4 U B 104 36.906 34.173 32.427 1.00 0.00 C ATOM 1500 O4 U B 104 36.370 35.274 32.411 1.00 0.00 O ATOM 1501 C5 U B 104 36.450 33.004 31.706 1.00 0.00 C ATOM 1502 C6 U B 104 37.068 31.800 31.834 1.00 0.00 C ATOM 0 H5' U B 104 40.876 29.919 36.628 1.00 0.00 H new ATOM 0 H5'' U B 104 39.837 31.233 36.115 1.00 0.00 H new ATOM 0 H4' U B 104 39.668 28.398 35.028 1.00 0.00 H new ATOM 0 H3' U B 104 41.424 30.670 34.391 1.00 0.00 H new ATOM 0 H2' U B 104 40.669 30.940 32.094 1.00 0.00 H new ATOM 0 HO2' U B 104 41.037 28.393 32.020 1.00 0.00 H new ATOM 0 H1' U B 104 38.164 29.646 32.236 1.00 0.00 H new ATOM 0 H3 U B 104 38.407 34.770 33.684 1.00 0.00 H new ATOM 0 H5 U B 104 35.597 33.090 31.049 1.00 0.00 H new ATOM 0 H6 U B 104 36.686 30.944 31.297 1.00 0.00 H new ATOM 1513 P C B 105 42.771 28.260 34.972 1.00 0.00 P ATOM 1514 OP1 C B 105 43.879 27.490 34.359 1.00 0.00 O ATOM 1515 OP2 C B 105 41.873 27.571 35.927 1.00 0.00 O ATOM 1516 O5' C B 105 43.408 29.567 35.671 1.00 0.00 O ATOM 1517 C5' C B 105 43.685 29.583 37.066 1.00 0.00 C ATOM 1518 C4' C B 105 45.056 30.184 37.403 1.00 0.00 C ATOM 1519 O4' C B 105 46.103 29.484 36.736 1.00 0.00 O ATOM 1520 C3' C B 105 45.187 31.677 37.042 1.00 0.00 C ATOM 1521 O3' C B 105 45.906 32.394 38.051 1.00 0.00 O ATOM 1522 C2' C B 105 46.012 31.576 35.745 1.00 0.00 C ATOM 1523 O2' C B 105 46.691 32.776 35.369 1.00 0.00 O ATOM 1524 C1' C B 105 46.957 30.440 36.139 1.00 0.00 C ATOM 1525 N1 C B 105 47.700 29.831 35.001 1.00 0.00 N ATOM 1526 C2 C B 105 49.098 29.930 34.968 1.00 0.00 C ATOM 1527 O2 C B 105 49.729 30.557 35.823 1.00 0.00 O ATOM 1528 N3 C B 105 49.809 29.320 33.984 1.00 0.00 N ATOM 1529 C4 C B 105 49.153 28.636 33.065 1.00 0.00 C ATOM 1530 N4 C B 105 49.892 28.057 32.159 1.00 0.00 N ATOM 1531 C5 C B 105 47.739 28.500 33.046 1.00 0.00 C ATOM 1532 C6 C B 105 47.040 29.113 34.035 1.00 0.00 C ATOM 0 H5' C B 105 43.637 28.564 37.451 1.00 0.00 H new ATOM 0 H5'' C B 105 42.910 30.154 37.577 1.00 0.00 H new ATOM 0 H4' C B 105 45.143 30.084 38.485 1.00 0.00 H new ATOM 0 H3' C B 105 44.240 32.207 36.945 1.00 0.00 H new ATOM 0 H2' C B 105 45.415 31.402 34.850 1.00 0.00 H new ATOM 0 HO2' C B 105 46.757 33.371 36.145 1.00 0.00 H new ATOM 0 H1' C B 105 47.745 30.813 36.793 1.00 0.00 H new ATOM 0 H41 C B 105 49.455 27.511 31.417 1.00 0.00 H new ATOM 0 H42 C B 105 50.907 28.150 32.193 1.00 0.00 H new ATOM 0 H5 C B 105 47.240 27.931 32.275 1.00 0.00 H new ATOM 0 H6 C B 105 45.963 29.036 34.062 1.00 0.00 H new ATOM 1544 P A B 106 45.249 32.780 39.465 1.00 0.00 P ATOM 1545 OP1 A B 106 43.838 33.177 39.235 1.00 0.00 O ATOM 1546 OP2 A B 106 46.162 33.739 40.138 1.00 0.00 O ATOM 1547 O5' A B 106 45.302 31.397 40.296 1.00 0.00 O ATOM 1548 C5' A B 106 44.144 30.818 40.883 1.00 0.00 C ATOM 1549 C4' A B 106 44.371 29.368 41.352 1.00 0.00 C ATOM 1550 O4' A B 106 44.308 28.415 40.291 1.00 0.00 O ATOM 1551 C3' A B 106 45.697 29.119 42.099 1.00 0.00 C ATOM 1552 O3' A B 106 45.435 28.808 43.464 1.00 0.00 O ATOM 1553 C2' A B 106 46.284 27.900 41.357 1.00 0.00 C ATOM 1554 O2' A B 106 47.000 27.006 42.213 1.00 0.00 O ATOM 1555 C1' A B 106 45.025 27.279 40.753 1.00 0.00 C ATOM 1556 N9 A B 106 45.311 26.291 39.682 1.00 0.00 N ATOM 1557 C8 A B 106 45.530 26.497 38.341 1.00 0.00 C ATOM 1558 N7 A B 106 45.749 25.406 37.648 1.00 0.00 N ATOM 1559 C5 A B 106 45.675 24.396 38.621 1.00 0.00 C ATOM 1560 C6 A B 106 45.808 22.982 38.614 1.00 0.00 C ATOM 1561 N6 A B 106 46.047 22.241 37.546 1.00 0.00 N ATOM 1562 N1 A B 106 45.699 22.270 39.737 1.00 0.00 N ATOM 1563 C2 A B 106 45.453 22.926 40.864 1.00 0.00 C ATOM 1564 N3 A B 106 45.293 24.237 41.031 1.00 0.00 N ATOM 1565 C4 A B 106 45.416 24.927 39.859 1.00 0.00 C ATOM 0 H5' A B 106 43.328 30.837 40.160 1.00 0.00 H new ATOM 0 H5'' A B 106 43.832 31.425 41.733 1.00 0.00 H new ATOM 0 H4' A B 106 43.544 29.229 42.049 1.00 0.00 H new ATOM 0 H3' A B 106 46.369 29.977 42.106 1.00 0.00 H new ATOM 0 H2' A B 106 47.043 28.161 40.619 1.00 0.00 H new ATOM 0 HO2' A B 106 46.527 26.922 43.067 1.00 0.00 H new ATOM 0 HO3' A B 106 44.651 28.223 43.522 1.00 0.00 H new ATOM 0 H1' A B 106 44.461 26.683 41.471 1.00 0.00 H new ATOM 0 H8 A B 106 45.522 27.480 37.894 1.00 0.00 H new ATOM 0 H61 A B 106 46.127 21.228 37.636 1.00 0.00 H new ATOM 0 H62 A B 106 46.151 22.682 36.632 1.00 0.00 H new ATOM 0 H2 A B 106 45.373 22.322 41.756 1.00 0.00 H new TER 1578 A B 106