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 Single : A 0 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 92:sc= 1.23 USER MOD Single : A 8 SER OG : rot 45:sc= 0.0588 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -107:sc= 0.115 (180deg=0) USER MOD Single : A 11 TYR OH : rot 72:sc= 1.26 USER MOD Single : A 14 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.94) USER MOD Single : A 20 SER OG : rot 180:sc= 0 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+ -168:sc= 1.22 (180deg=1.22) USER MOD Single : A 31 TYR OH : rot 130:sc= -0.765 USER MOD Single : A 33 ASN : amide:sc= 1.06 K(o=1.1,f=-0.43) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 1.45 (180deg=1.12) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= 2.19 (180deg=0.992) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 44 SER OG : rot -55:sc= 0.204 USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 0 (180deg=-7.06e-05) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 25:sc= 0.00287 USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=-0.77) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00114 X(o=-0.0011,f=-0.22) USER MOD Single : B 101 A O2' : rot 180:sc= -0.123 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 29:sc= 1.27 USER MOD Single : B 103 A O2' : rot -170:sc= 0.562 USER MOD Single : B 104 U O2' : rot -49:sc= 0.396 USER MOD Single : B 105 C O2' : rot 158:sc= 0.655 USER MOD Single : B 106 A O2' : rot -17:sc= 0.167 USER MOD Single : B 106 A O3' : rot 180:sc= 0.164 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 44.172 36.410 50.617 1.00 0.00 N ATOM 2 CA GLY A -2 43.674 37.791 50.539 1.00 0.00 C ATOM 3 C GLY A -2 42.852 38.006 49.287 1.00 0.00 C ATOM 4 O GLY A -2 42.751 37.106 48.457 1.00 0.00 O ATOM 0 H1 GLY A -2 43.645 35.892 51.349 1.00 0.00 H new ATOM 0 H2 GLY A -2 44.041 35.941 49.698 1.00 0.00 H new ATOM 0 H3 GLY A -2 45.183 36.419 50.860 1.00 0.00 H new ATOM 0 HA2 GLY A -2 43.068 38.012 51.418 1.00 0.00 H new ATOM 0 HA3 GLY A -2 44.515 38.485 50.549 1.00 0.00 H new ATOM 10 N SER A -1 42.288 39.206 49.145 1.00 0.00 N ATOM 11 CA SER A -1 41.677 39.734 47.905 1.00 0.00 C ATOM 12 C SER A -1 40.499 38.930 47.322 1.00 0.00 C ATOM 13 O SER A -1 40.194 39.036 46.135 1.00 0.00 O ATOM 14 CB SER A -1 42.765 40.053 46.870 1.00 0.00 C ATOM 15 OG SER A -1 43.708 40.937 47.459 1.00 0.00 O ATOM 0 H SER A -1 42.238 39.871 49.917 1.00 0.00 H new ATOM 0 HA SER A -1 41.184 40.660 48.201 1.00 0.00 H new ATOM 0 HB2 SER A -1 43.258 39.137 46.545 1.00 0.00 H new ATOM 0 HB3 SER A -1 42.322 40.508 45.984 1.00 0.00 H new ATOM 0 HG SER A -1 44.410 41.147 46.808 1.00 0.00 H new ATOM 21 N HIS A 0 39.805 38.128 48.140 1.00 0.00 N ATOM 22 CA HIS A 0 38.640 37.345 47.698 1.00 0.00 C ATOM 23 C HIS A 0 37.430 38.260 47.462 1.00 0.00 C ATOM 24 O HIS A 0 37.035 38.993 48.366 1.00 0.00 O ATOM 25 CB HIS A 0 38.321 36.243 48.725 1.00 0.00 C ATOM 26 CG HIS A 0 37.735 34.994 48.111 1.00 0.00 C ATOM 27 ND1 HIS A 0 38.492 33.906 47.679 1.00 0.00 N ATOM 28 CD2 HIS A 0 36.414 34.704 47.920 1.00 0.00 C ATOM 29 CE1 HIS A 0 37.617 32.995 47.214 1.00 0.00 C ATOM 30 NE2 HIS A 0 36.360 33.448 47.348 1.00 0.00 N ATOM 0 H HIS A 0 40.034 38.003 49.126 1.00 0.00 H new ATOM 0 HA HIS A 0 38.878 36.864 46.749 1.00 0.00 H new ATOM 0 HB2 HIS A 0 39.234 35.981 49.259 1.00 0.00 H new ATOM 0 HB3 HIS A 0 37.622 36.637 49.463 1.00 0.00 H new ATOM 0 HD2 HIS A 0 35.574 35.335 48.168 1.00 0.00 H new ATOM 0 HE1 HIS A 0 37.887 32.038 46.794 1.00 0.00 H new ATOM 0 HE2 HIS A 0 35.512 32.951 47.075 1.00 0.00 H new ATOM 38 N MET A 1 36.808 38.198 46.278 1.00 0.00 N ATOM 39 CA MET A 1 35.606 38.983 45.922 1.00 0.00 C ATOM 40 C MET A 1 35.780 40.508 46.098 1.00 0.00 C ATOM 41 O MET A 1 34.980 41.163 46.765 1.00 0.00 O ATOM 42 CB MET A 1 34.351 38.440 46.641 1.00 0.00 C ATOM 43 CG MET A 1 34.046 36.974 46.313 1.00 0.00 C ATOM 44 SD MET A 1 32.839 36.206 47.438 1.00 0.00 S ATOM 45 CE MET A 1 31.287 36.791 46.710 1.00 0.00 C ATOM 0 H MET A 1 37.127 37.591 45.523 1.00 0.00 H new ATOM 0 HA MET A 1 35.458 38.846 44.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 34.486 38.543 47.718 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.492 39.052 46.367 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.669 36.911 45.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.974 36.403 46.346 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.446 36.405 47.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.267 37.881 46.723 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.212 36.439 45.681 1.00 0.00 H new ATOM 55 N VAL A 2 36.827 41.087 45.495 1.00 0.00 N ATOM 56 CA VAL A 2 37.083 42.544 45.446 1.00 0.00 C ATOM 57 C VAL A 2 36.055 43.293 44.575 1.00 0.00 C ATOM 58 O VAL A 2 36.273 43.536 43.391 1.00 0.00 O ATOM 59 CB VAL A 2 38.537 42.837 45.000 1.00 0.00 C ATOM 60 CG1 VAL A 2 39.493 42.604 46.175 1.00 0.00 C ATOM 61 CG2 VAL A 2 39.029 42.009 43.802 1.00 0.00 C ATOM 0 H VAL A 2 37.543 40.544 45.012 1.00 0.00 H new ATOM 0 HA VAL A 2 36.961 42.926 46.459 1.00 0.00 H new ATOM 0 HB VAL A 2 38.531 43.877 44.675 1.00 0.00 H new ATOM 0 HG11 VAL A 2 40.515 42.811 45.859 1.00 0.00 H new ATOM 0 HG12 VAL A 2 39.227 43.267 46.998 1.00 0.00 H new ATOM 0 HG13 VAL A 2 39.418 41.568 46.505 1.00 0.00 H new ATOM 0 HG21 VAL A 2 40.056 42.286 43.566 1.00 0.00 H new ATOM 0 HG22 VAL A 2 38.987 40.949 44.051 1.00 0.00 H new ATOM 0 HG23 VAL A 2 38.393 42.205 42.939 1.00 0.00 H new ATOM 71 N ILE A 3 34.916 43.686 45.157 1.00 0.00 N ATOM 72 CA ILE A 3 33.699 44.120 44.437 1.00 0.00 C ATOM 73 C ILE A 3 33.932 45.287 43.468 1.00 0.00 C ATOM 74 O ILE A 3 33.431 45.250 42.344 1.00 0.00 O ATOM 75 CB ILE A 3 32.546 44.434 45.427 1.00 0.00 C ATOM 76 CG1 ILE A 3 32.862 45.638 46.350 1.00 0.00 C ATOM 77 CG2 ILE A 3 32.158 43.155 46.192 1.00 0.00 C ATOM 78 CD1 ILE A 3 31.869 45.865 47.494 1.00 0.00 C ATOM 0 H ILE A 3 34.806 43.714 46.171 1.00 0.00 H new ATOM 0 HA ILE A 3 33.407 43.275 43.814 1.00 0.00 H new ATOM 0 HB ILE A 3 31.674 44.755 44.857 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.855 45.497 46.776 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.902 46.541 45.741 1.00 0.00 H new ATOM 0 HG21 ILE A 3 31.348 43.378 46.887 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.830 42.393 45.485 1.00 0.00 H new ATOM 0 HG23 ILE A 3 33.021 42.787 46.747 1.00 0.00 H new ATOM 0 HD11 ILE A 3 32.180 46.730 48.080 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.875 46.043 47.083 1.00 0.00 H new ATOM 0 HD13 ILE A 3 31.844 44.983 48.134 1.00 0.00 H new ATOM 90 N ARG A 4 34.753 46.273 43.858 1.00 0.00 N ATOM 91 CA ARG A 4 35.140 47.431 43.026 1.00 0.00 C ATOM 92 C ARG A 4 35.842 47.054 41.717 1.00 0.00 C ATOM 93 O ARG A 4 35.769 47.804 40.749 1.00 0.00 O ATOM 94 CB ARG A 4 35.994 48.428 43.842 1.00 0.00 C ATOM 95 CG ARG A 4 37.454 48.030 44.158 1.00 0.00 C ATOM 96 CD ARG A 4 37.571 46.733 44.968 1.00 0.00 C ATOM 97 NE ARG A 4 38.912 46.529 45.543 1.00 0.00 N ATOM 98 CZ ARG A 4 39.225 46.628 46.824 1.00 0.00 C ATOM 99 NH1 ARG A 4 38.467 47.237 47.688 1.00 0.00 N ATOM 100 NH2 ARG A 4 40.313 46.098 47.285 1.00 0.00 N ATOM 0 H ARG A 4 35.179 46.291 44.784 1.00 0.00 H new ATOM 0 HA ARG A 4 34.207 47.911 42.731 1.00 0.00 H new ATOM 0 HB2 ARG A 4 36.013 49.374 43.301 1.00 0.00 H new ATOM 0 HB3 ARG A 4 35.484 48.612 44.788 1.00 0.00 H new ATOM 0 HG2 ARG A 4 38.002 47.916 43.223 1.00 0.00 H new ATOM 0 HG3 ARG A 4 37.932 48.839 44.711 1.00 0.00 H new ATOM 0 HD2 ARG A 4 36.836 46.747 45.772 1.00 0.00 H new ATOM 0 HD3 ARG A 4 37.325 45.887 44.326 1.00 0.00 H new ATOM 0 HE ARG A 4 39.664 46.291 44.897 1.00 0.00 H new ATOM 0 HH11 ARG A 4 37.591 47.663 47.387 1.00 0.00 H new ATOM 0 HH12 ARG A 4 38.749 47.289 48.667 1.00 0.00 H new ATOM 0 HH21 ARG A 4 40.941 45.596 46.658 1.00 0.00 H new ATOM 0 HH22 ARG A 4 40.541 46.182 48.275 1.00 0.00 H new ATOM 114 N GLU A 5 36.501 45.901 41.676 1.00 0.00 N ATOM 115 CA GLU A 5 37.314 45.418 40.554 1.00 0.00 C ATOM 116 C GLU A 5 36.789 44.070 40.025 1.00 0.00 C ATOM 117 O GLU A 5 37.546 43.168 39.656 1.00 0.00 O ATOM 118 CB GLU A 5 38.799 45.459 40.949 1.00 0.00 C ATOM 119 CG GLU A 5 39.731 45.480 39.731 1.00 0.00 C ATOM 120 CD GLU A 5 41.132 45.997 40.078 1.00 0.00 C ATOM 121 OE1 GLU A 5 41.656 45.669 41.170 1.00 0.00 O ATOM 122 OE2 GLU A 5 41.742 46.685 39.223 1.00 0.00 O ATOM 0 H GLU A 5 36.485 45.245 42.457 1.00 0.00 H new ATOM 0 HA GLU A 5 37.224 46.078 39.692 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.985 46.343 41.560 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.032 44.591 41.565 1.00 0.00 H new ATOM 0 HG2 GLU A 5 39.809 44.474 39.319 1.00 0.00 H new ATOM 0 HG3 GLU A 5 39.296 46.109 38.955 1.00 0.00 H new ATOM 129 N SER A 6 35.458 43.948 40.012 1.00 0.00 N ATOM 130 CA SER A 6 34.704 42.807 39.486 1.00 0.00 C ATOM 131 C SER A 6 34.968 42.528 37.995 1.00 0.00 C ATOM 132 O SER A 6 35.580 43.316 37.270 1.00 0.00 O ATOM 133 CB SER A 6 33.200 43.024 39.719 1.00 0.00 C ATOM 134 OG SER A 6 32.893 42.912 41.100 1.00 0.00 O ATOM 0 H SER A 6 34.849 44.676 40.385 1.00 0.00 H new ATOM 0 HA SER A 6 35.051 41.929 40.030 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.907 44.008 39.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.628 42.290 39.152 1.00 0.00 H new ATOM 0 HG SER A 6 32.937 43.797 41.518 1.00 0.00 H new ATOM 140 N VAL A 7 34.486 41.363 37.554 1.00 0.00 N ATOM 141 CA VAL A 7 34.557 40.848 36.180 1.00 0.00 C ATOM 142 C VAL A 7 33.178 40.266 35.847 1.00 0.00 C ATOM 143 O VAL A 7 32.721 39.337 36.515 1.00 0.00 O ATOM 144 CB VAL A 7 35.701 39.811 36.058 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.734 39.092 34.709 1.00 0.00 C ATOM 146 CG2 VAL A 7 37.074 40.465 36.268 1.00 0.00 C ATOM 0 H VAL A 7 34.008 40.715 38.181 1.00 0.00 H new ATOM 0 HA VAL A 7 34.792 41.633 35.461 1.00 0.00 H new ATOM 0 HB VAL A 7 35.493 39.079 36.839 1.00 0.00 H new ATOM 0 HG11 VAL A 7 36.560 38.381 34.696 1.00 0.00 H new ATOM 0 HG12 VAL A 7 34.795 38.560 34.557 1.00 0.00 H new ATOM 0 HG13 VAL A 7 35.870 39.822 33.911 1.00 0.00 H new ATOM 0 HG21 VAL A 7 37.855 39.710 36.176 1.00 0.00 H new ATOM 0 HG22 VAL A 7 37.227 41.239 35.516 1.00 0.00 H new ATOM 0 HG23 VAL A 7 37.116 40.911 37.262 1.00 0.00 H new ATOM 156 N SER A 8 32.483 40.843 34.871 1.00 0.00 N ATOM 157 CA SER A 8 31.082 40.536 34.546 1.00 0.00 C ATOM 158 C SER A 8 30.997 39.509 33.410 1.00 0.00 C ATOM 159 O SER A 8 31.233 39.833 32.239 1.00 0.00 O ATOM 160 CB SER A 8 30.307 41.824 34.230 1.00 0.00 C ATOM 161 OG SER A 8 30.971 42.638 33.278 1.00 0.00 O ATOM 0 H SER A 8 32.884 41.558 34.264 1.00 0.00 H new ATOM 0 HA SER A 8 30.610 40.082 35.418 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.317 41.565 33.854 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.161 42.391 35.149 1.00 0.00 H new ATOM 0 HG SER A 8 31.300 42.080 32.543 1.00 0.00 H new ATOM 167 N ARG A 9 30.654 38.261 33.761 1.00 0.00 N ATOM 168 CA ARG A 9 30.653 37.105 32.847 1.00 0.00 C ATOM 169 C ARG A 9 29.379 36.265 32.899 1.00 0.00 C ATOM 170 O ARG A 9 28.709 36.208 33.922 1.00 0.00 O ATOM 171 CB ARG A 9 31.908 36.232 33.042 1.00 0.00 C ATOM 172 CG ARG A 9 32.033 35.420 34.350 1.00 0.00 C ATOM 173 CD ARG A 9 32.468 36.261 35.560 1.00 0.00 C ATOM 174 NE ARG A 9 33.364 35.510 36.464 1.00 0.00 N ATOM 175 CZ ARG A 9 34.114 36.035 37.418 1.00 0.00 C ATOM 176 NH1 ARG A 9 33.966 37.248 37.845 1.00 0.00 N ATOM 177 NH2 ARG A 9 35.097 35.388 37.966 1.00 0.00 N ATOM 0 H ARG A 9 30.363 38.020 34.708 1.00 0.00 H new ATOM 0 HA ARG A 9 30.678 37.532 31.844 1.00 0.00 H new ATOM 0 HB2 ARG A 9 31.960 35.532 32.208 1.00 0.00 H new ATOM 0 HB3 ARG A 9 32.781 36.881 32.968 1.00 0.00 H new ATOM 0 HG2 ARG A 9 31.073 34.952 34.570 1.00 0.00 H new ATOM 0 HG3 ARG A 9 32.753 34.615 34.200 1.00 0.00 H new ATOM 0 HD2 ARG A 9 32.975 37.161 35.212 1.00 0.00 H new ATOM 0 HD3 ARG A 9 31.586 36.586 36.112 1.00 0.00 H new ATOM 0 HE ARG A 9 33.408 34.498 36.341 1.00 0.00 H new ATOM 0 HH11 ARG A 9 33.244 37.846 37.442 1.00 0.00 H new ATOM 0 HH12 ARG A 9 34.571 37.606 38.584 1.00 0.00 H new ATOM 0 HH21 ARG A 9 35.314 34.439 37.663 1.00 0.00 H new ATOM 0 HH22 ARG A 9 35.652 35.829 38.699 1.00 0.00 H new ATOM 191 N ILE A 10 29.070 35.612 31.785 1.00 0.00 N ATOM 192 CA ILE A 10 28.005 34.612 31.637 1.00 0.00 C ATOM 193 C ILE A 10 28.464 33.276 32.241 1.00 0.00 C ATOM 194 O ILE A 10 29.643 32.942 32.127 1.00 0.00 O ATOM 195 CB ILE A 10 27.647 34.469 30.134 1.00 0.00 C ATOM 196 CG1 ILE A 10 26.895 35.707 29.595 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.780 33.229 29.840 1.00 0.00 C ATOM 198 CD1 ILE A 10 27.770 36.920 29.262 1.00 0.00 C ATOM 0 H ILE A 10 29.577 35.769 30.914 1.00 0.00 H new ATOM 0 HA ILE A 10 27.110 34.929 32.173 1.00 0.00 H new ATOM 0 HB ILE A 10 28.608 34.365 29.630 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.351 35.416 28.696 1.00 0.00 H new ATOM 0 HG13 ILE A 10 26.153 36.009 30.334 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.562 33.182 28.773 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.318 32.330 30.140 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.846 33.297 30.399 1.00 0.00 H new ATOM 0 HD11 ILE A 10 27.142 37.731 28.893 1.00 0.00 H new ATOM 0 HD12 ILE A 10 28.295 37.247 30.159 1.00 0.00 H new ATOM 0 HD13 ILE A 10 28.496 36.646 28.497 1.00 0.00 H new ATOM 210 N TYR A 11 27.532 32.489 32.792 1.00 0.00 N ATOM 211 CA TYR A 11 27.696 31.051 33.045 1.00 0.00 C ATOM 212 C TYR A 11 26.684 30.235 32.224 1.00 0.00 C ATOM 213 O TYR A 11 25.492 30.560 32.190 1.00 0.00 O ATOM 214 CB TYR A 11 27.569 30.755 34.555 1.00 0.00 C ATOM 215 CG TYR A 11 27.002 29.384 34.901 1.00 0.00 C ATOM 216 CD1 TYR A 11 27.765 28.208 34.760 1.00 0.00 C ATOM 217 CD2 TYR A 11 25.666 29.291 35.325 1.00 0.00 C ATOM 218 CE1 TYR A 11 27.185 26.951 35.037 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.083 28.044 35.605 1.00 0.00 C ATOM 220 CZ TYR A 11 25.839 26.864 35.463 1.00 0.00 C ATOM 221 OH TYR A 11 25.245 25.666 35.725 1.00 0.00 O ATOM 0 H TYR A 11 26.620 32.843 33.082 1.00 0.00 H new ATOM 0 HA TYR A 11 28.694 30.751 32.727 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.554 30.849 35.012 1.00 0.00 H new ATOM 0 HB3 TYR A 11 26.934 31.518 35.006 1.00 0.00 H new ATOM 0 HD1 TYR A 11 28.795 28.268 34.440 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.079 30.191 35.437 1.00 0.00 H new ATOM 0 HE1 TYR A 11 27.772 26.052 34.923 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.054 27.990 35.929 1.00 0.00 H new ATOM 0 HH TYR A 11 25.606 25.297 36.558 1.00 0.00 H new ATOM 231 N VAL A 12 27.152 29.138 31.620 1.00 0.00 N ATOM 232 CA VAL A 12 26.325 28.029 31.117 1.00 0.00 C ATOM 233 C VAL A 12 26.907 26.688 31.576 1.00 0.00 C ATOM 234 O VAL A 12 28.125 26.560 31.725 1.00 0.00 O ATOM 235 CB VAL A 12 26.132 28.072 29.586 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.529 29.402 29.112 1.00 0.00 C ATOM 237 CG2 VAL A 12 27.418 27.841 28.783 1.00 0.00 C ATOM 0 H VAL A 12 28.149 28.990 31.461 1.00 0.00 H new ATOM 0 HA VAL A 12 25.329 28.144 31.545 1.00 0.00 H new ATOM 0 HB VAL A 12 25.447 27.246 29.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.413 29.383 28.028 1.00 0.00 H new ATOM 0 HG12 VAL A 12 24.555 29.547 29.579 1.00 0.00 H new ATOM 0 HG13 VAL A 12 26.191 30.222 29.392 1.00 0.00 H new ATOM 0 HG21 VAL A 12 27.195 27.887 27.717 1.00 0.00 H new ATOM 0 HG22 VAL A 12 28.147 28.611 29.035 1.00 0.00 H new ATOM 0 HG23 VAL A 12 27.827 26.860 29.026 1.00 0.00 H new ATOM 247 N GLY A 13 26.065 25.677 31.800 1.00 0.00 N ATOM 248 CA GLY A 13 26.480 24.409 32.400 1.00 0.00 C ATOM 249 C GLY A 13 25.576 23.206 32.123 1.00 0.00 C ATOM 250 O GLY A 13 24.421 23.344 31.717 1.00 0.00 O ATOM 0 H GLY A 13 25.072 25.716 31.569 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.483 24.173 32.045 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.548 24.546 33.479 1.00 0.00 H new ATOM 254 N ASN A 14 26.136 22.013 32.349 1.00 0.00 N ATOM 255 CA ASN A 14 25.477 20.700 32.231 1.00 0.00 C ATOM 256 C ASN A 14 24.811 20.438 30.860 1.00 0.00 C ATOM 257 O ASN A 14 23.783 19.769 30.779 1.00 0.00 O ATOM 258 CB ASN A 14 24.546 20.476 33.440 1.00 0.00 C ATOM 259 CG ASN A 14 24.251 19.005 33.711 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.961 18.095 33.301 1.00 0.00 O ATOM 261 ND2 ASN A 14 23.222 18.717 34.474 1.00 0.00 N ATOM 0 H ASN A 14 27.112 21.929 32.634 1.00 0.00 H new ATOM 0 HA ASN A 14 26.255 19.937 32.261 1.00 0.00 H new ATOM 0 HB2 ASN A 14 25.001 20.917 34.327 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.607 21.002 33.269 1.00 0.00 H new ATOM 0 HD21 ASN A 14 23.023 17.747 34.717 1.00 0.00 H new ATOM 0 HD22 ASN A 14 22.621 19.464 34.823 1.00 0.00 H new ATOM 268 N LEU A 15 25.383 20.991 29.786 1.00 0.00 N ATOM 269 CA LEU A 15 24.879 20.849 28.418 1.00 0.00 C ATOM 270 C LEU A 15 25.288 19.493 27.804 1.00 0.00 C ATOM 271 O LEU A 15 26.445 19.096 27.967 1.00 0.00 O ATOM 272 CB LEU A 15 25.399 21.990 27.514 1.00 0.00 C ATOM 273 CG LEU A 15 25.268 23.417 28.088 1.00 0.00 C ATOM 274 CD1 LEU A 15 26.581 23.888 28.719 1.00 0.00 C ATOM 275 CD2 LEU A 15 24.928 24.419 26.981 1.00 0.00 C ATOM 0 H LEU A 15 26.227 21.561 29.845 1.00 0.00 H new ATOM 0 HA LEU A 15 23.792 20.899 28.474 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.450 21.803 27.294 1.00 0.00 H new ATOM 0 HB3 LEU A 15 24.863 21.950 26.566 1.00 0.00 H new ATOM 0 HG LEU A 15 24.477 23.376 28.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.454 24.896 29.113 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.858 23.214 29.529 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.367 23.890 27.964 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.841 25.418 27.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.718 24.414 26.230 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.983 24.140 26.515 1.00 0.00 H new ATOM 287 N PRO A 16 24.415 18.814 27.035 1.00 0.00 N ATOM 288 CA PRO A 16 24.814 17.688 26.190 1.00 0.00 C ATOM 289 C PRO A 16 25.724 18.144 25.038 1.00 0.00 C ATOM 290 O PRO A 16 25.672 19.297 24.608 1.00 0.00 O ATOM 291 CB PRO A 16 23.504 17.097 25.660 1.00 0.00 C ATOM 292 CG PRO A 16 22.582 18.314 25.594 1.00 0.00 C ATOM 293 CD PRO A 16 23.011 19.131 26.811 1.00 0.00 C ATOM 0 HA PRO A 16 25.393 16.953 26.749 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.636 16.636 24.681 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.110 16.327 26.324 1.00 0.00 H new ATOM 0 HG2 PRO A 16 22.713 18.871 24.666 1.00 0.00 H new ATOM 0 HG3 PRO A 16 21.531 18.029 25.648 1.00 0.00 H new ATOM 0 HD2 PRO A 16 22.876 20.198 26.632 1.00 0.00 H new ATOM 0 HD3 PRO A 16 22.410 18.876 27.684 1.00 0.00 H new ATOM 301 N SER A 17 26.546 17.228 24.519 1.00 0.00 N ATOM 302 CA SER A 17 27.577 17.421 23.476 1.00 0.00 C ATOM 303 C SER A 17 28.754 18.337 23.861 1.00 0.00 C ATOM 304 O SER A 17 29.897 18.031 23.503 1.00 0.00 O ATOM 305 CB SER A 17 26.936 17.849 22.150 1.00 0.00 C ATOM 306 OG SER A 17 27.880 17.748 21.105 1.00 0.00 O ATOM 0 H SER A 17 26.512 16.259 24.835 1.00 0.00 H new ATOM 0 HA SER A 17 28.039 16.441 23.357 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.073 17.220 21.934 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.573 18.874 22.226 1.00 0.00 H new ATOM 0 HG SER A 17 27.464 18.021 20.261 1.00 0.00 H new ATOM 312 N HIS A 18 28.496 19.378 24.664 1.00 0.00 N ATOM 313 CA HIS A 18 29.441 20.424 25.091 1.00 0.00 C ATOM 314 C HIS A 18 29.955 21.295 23.916 1.00 0.00 C ATOM 315 O HIS A 18 29.620 21.060 22.756 1.00 0.00 O ATOM 316 CB HIS A 18 30.480 19.806 26.058 1.00 0.00 C ATOM 317 CG HIS A 18 31.882 20.362 26.037 1.00 0.00 C ATOM 318 ND1 HIS A 18 32.779 20.245 24.975 1.00 0.00 N ATOM 319 CD2 HIS A 18 32.508 20.973 27.079 1.00 0.00 C ATOM 320 CE1 HIS A 18 33.925 20.803 25.399 1.00 0.00 C ATOM 321 NE2 HIS A 18 33.795 21.234 26.663 1.00 0.00 N ATOM 0 H HIS A 18 27.566 19.523 25.058 1.00 0.00 H new ATOM 0 HA HIS A 18 28.937 21.189 25.682 1.00 0.00 H new ATOM 0 HB2 HIS A 18 30.095 19.908 27.073 1.00 0.00 H new ATOM 0 HB3 HIS A 18 30.540 18.738 25.846 1.00 0.00 H new ATOM 0 HD2 HIS A 18 32.080 21.207 28.043 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.824 20.892 24.807 1.00 0.00 H new ATOM 0 HE2 HIS A 18 34.524 21.679 27.220 1.00 0.00 H new ATOM 329 N VAL A 19 30.664 22.386 24.226 1.00 0.00 N ATOM 330 CA VAL A 19 31.168 23.367 23.252 1.00 0.00 C ATOM 331 C VAL A 19 32.669 23.596 23.430 1.00 0.00 C ATOM 332 O VAL A 19 33.145 23.899 24.523 1.00 0.00 O ATOM 333 CB VAL A 19 30.394 24.704 23.305 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.024 24.562 22.634 1.00 0.00 C ATOM 335 CG2 VAL A 19 30.185 25.268 24.720 1.00 0.00 C ATOM 0 H VAL A 19 30.911 22.620 25.188 1.00 0.00 H new ATOM 0 HA VAL A 19 30.999 22.943 22.262 1.00 0.00 H new ATOM 0 HB VAL A 19 31.027 25.411 22.769 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.495 25.514 22.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.158 24.273 21.592 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.443 23.798 23.151 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.634 26.206 24.660 1.00 0.00 H new ATOM 0 HG22 VAL A 19 29.620 24.552 25.317 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.153 25.446 25.188 1.00 0.00 H new ATOM 345 N SER A 20 33.421 23.466 22.337 1.00 0.00 N ATOM 346 CA SER A 20 34.846 23.799 22.280 1.00 0.00 C ATOM 347 C SER A 20 35.070 25.316 22.265 1.00 0.00 C ATOM 348 O SER A 20 34.170 26.091 21.941 1.00 0.00 O ATOM 349 CB SER A 20 35.471 23.144 21.044 1.00 0.00 C ATOM 350 OG SER A 20 34.889 23.630 19.848 1.00 0.00 O ATOM 0 H SER A 20 33.052 23.121 21.451 1.00 0.00 H new ATOM 0 HA SER A 20 35.330 23.413 23.177 1.00 0.00 H new ATOM 0 HB2 SER A 20 36.544 23.337 21.032 1.00 0.00 H new ATOM 0 HB3 SER A 20 35.342 22.063 21.099 1.00 0.00 H new ATOM 0 HG SER A 20 35.311 23.194 19.078 1.00 0.00 H new ATOM 356 N SER A 21 36.299 25.758 22.553 1.00 0.00 N ATOM 357 CA SER A 21 36.708 27.173 22.481 1.00 0.00 C ATOM 358 C SER A 21 36.381 27.822 21.125 1.00 0.00 C ATOM 359 O SER A 21 35.885 28.950 21.083 1.00 0.00 O ATOM 360 CB SER A 21 38.209 27.269 22.791 1.00 0.00 C ATOM 361 OG SER A 21 38.948 26.351 21.998 1.00 0.00 O ATOM 0 H SER A 21 37.052 25.136 22.848 1.00 0.00 H new ATOM 0 HA SER A 21 36.135 27.731 23.222 1.00 0.00 H new ATOM 0 HB2 SER A 21 38.560 28.284 22.602 1.00 0.00 H new ATOM 0 HB3 SER A 21 38.380 27.064 23.848 1.00 0.00 H new ATOM 0 HG SER A 21 39.902 26.430 22.210 1.00 0.00 H new ATOM 367 N ARG A 22 36.542 27.065 20.028 1.00 0.00 N ATOM 368 CA ARG A 22 36.116 27.426 18.665 1.00 0.00 C ATOM 369 C ARG A 22 34.627 27.773 18.590 1.00 0.00 C ATOM 370 O ARG A 22 34.265 28.771 17.964 1.00 0.00 O ATOM 371 CB ARG A 22 36.498 26.264 17.718 1.00 0.00 C ATOM 372 CG ARG A 22 36.015 26.390 16.261 1.00 0.00 C ATOM 373 CD ARG A 22 34.613 25.803 16.019 1.00 0.00 C ATOM 374 NE ARG A 22 34.237 25.892 14.599 1.00 0.00 N ATOM 375 CZ ARG A 22 33.033 25.745 14.081 1.00 0.00 C ATOM 376 NH1 ARG A 22 31.969 25.477 14.770 1.00 0.00 N ATOM 377 NH2 ARG A 22 32.875 25.883 12.800 1.00 0.00 N ATOM 0 H ARG A 22 36.990 26.149 20.067 1.00 0.00 H new ATOM 0 HA ARG A 22 36.631 28.334 18.353 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.584 26.169 17.712 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.099 25.338 18.133 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.012 27.443 15.979 1.00 0.00 H new ATOM 0 HG3 ARG A 22 36.727 25.887 15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 22 34.592 24.761 16.339 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.882 26.338 16.626 1.00 0.00 H new ATOM 0 HE ARG A 22 34.992 26.089 13.942 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.031 25.366 15.782 1.00 0.00 H new ATOM 0 HH12 ARG A 22 31.069 25.377 14.300 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.676 26.102 12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 22 31.950 25.772 12.385 1.00 0.00 H new ATOM 391 N ASP A 23 33.764 26.952 19.191 1.00 0.00 N ATOM 392 CA ASP A 23 32.311 27.147 19.150 1.00 0.00 C ATOM 393 C ASP A 23 31.832 28.236 20.112 1.00 0.00 C ATOM 394 O ASP A 23 30.898 28.964 19.783 1.00 0.00 O ATOM 395 CB ASP A 23 31.576 25.829 19.438 1.00 0.00 C ATOM 396 CG ASP A 23 30.490 25.617 18.387 1.00 0.00 C ATOM 397 OD1 ASP A 23 30.863 25.235 17.254 1.00 0.00 O ATOM 398 OD2 ASP A 23 29.294 25.871 18.651 1.00 0.00 O ATOM 0 H ASP A 23 34.053 26.130 19.722 1.00 0.00 H new ATOM 0 HA ASP A 23 32.073 27.481 18.140 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.279 24.996 19.424 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.134 25.856 20.434 1.00 0.00 H new ATOM 403 N VAL A 24 32.488 28.392 21.268 1.00 0.00 N ATOM 404 CA VAL A 24 32.131 29.411 22.267 1.00 0.00 C ATOM 405 C VAL A 24 32.199 30.818 21.667 1.00 0.00 C ATOM 406 O VAL A 24 31.237 31.565 21.818 1.00 0.00 O ATOM 407 CB VAL A 24 32.982 29.280 23.547 1.00 0.00 C ATOM 408 CG1 VAL A 24 32.789 30.453 24.513 1.00 0.00 C ATOM 409 CG2 VAL A 24 32.600 28.010 24.321 1.00 0.00 C ATOM 0 H VAL A 24 33.284 27.814 21.539 1.00 0.00 H new ATOM 0 HA VAL A 24 31.097 29.237 22.564 1.00 0.00 H new ATOM 0 HB VAL A 24 34.017 29.254 23.206 1.00 0.00 H new ATOM 0 HG11 VAL A 24 33.413 30.305 25.394 1.00 0.00 H new ATOM 0 HG12 VAL A 24 33.074 31.382 24.019 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.743 30.508 24.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 33.211 27.935 25.221 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.547 28.057 24.600 1.00 0.00 H new ATOM 0 HG23 VAL A 24 32.770 27.136 23.693 1.00 0.00 H new ATOM 419 N GLU A 25 33.255 31.179 20.924 1.00 0.00 N ATOM 420 CA GLU A 25 33.257 32.467 20.207 1.00 0.00 C ATOM 421 C GLU A 25 32.156 32.531 19.129 1.00 0.00 C ATOM 422 O GLU A 25 31.466 33.547 19.009 1.00 0.00 O ATOM 423 CB GLU A 25 34.650 32.783 19.616 1.00 0.00 C ATOM 424 CG GLU A 25 34.594 34.111 18.841 1.00 0.00 C ATOM 425 CD GLU A 25 35.925 34.658 18.320 1.00 0.00 C ATOM 426 OE1 GLU A 25 36.939 34.717 19.048 1.00 0.00 O ATOM 427 OE2 GLU A 25 35.916 35.197 17.190 1.00 0.00 O ATOM 0 H GLU A 25 34.098 30.617 20.804 1.00 0.00 H new ATOM 0 HA GLU A 25 33.028 33.241 20.940 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.389 32.848 20.415 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.966 31.977 18.954 1.00 0.00 H new ATOM 0 HG2 GLU A 25 33.923 33.982 17.992 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.146 34.865 19.489 1.00 0.00 H new ATOM 434 N ASN A 26 31.976 31.454 18.352 1.00 0.00 N ATOM 435 CA ASN A 26 31.058 31.426 17.209 1.00 0.00 C ATOM 436 C ASN A 26 29.581 31.597 17.606 1.00 0.00 C ATOM 437 O ASN A 26 28.810 32.229 16.878 1.00 0.00 O ATOM 438 CB ASN A 26 31.262 30.105 16.447 1.00 0.00 C ATOM 439 CG ASN A 26 30.725 30.222 15.037 1.00 0.00 C ATOM 440 OD1 ASN A 26 29.573 29.931 14.755 1.00 0.00 O ATOM 441 ND2 ASN A 26 31.525 30.700 14.120 1.00 0.00 N ATOM 0 H ASN A 26 32.467 30.573 18.501 1.00 0.00 H new ATOM 0 HA ASN A 26 31.294 32.280 16.573 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.322 29.853 16.420 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.755 29.294 16.970 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.187 30.831 13.166 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.487 30.942 14.358 1.00 0.00 H new ATOM 448 N GLU A 27 29.207 31.045 18.760 1.00 0.00 N ATOM 449 CA GLU A 27 27.896 31.205 19.388 1.00 0.00 C ATOM 450 C GLU A 27 27.775 32.578 20.075 1.00 0.00 C ATOM 451 O GLU A 27 26.845 33.341 19.802 1.00 0.00 O ATOM 452 CB GLU A 27 27.706 30.050 20.394 1.00 0.00 C ATOM 453 CG GLU A 27 26.259 29.858 20.880 1.00 0.00 C ATOM 454 CD GLU A 27 25.358 29.094 19.891 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.876 28.369 19.003 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.115 29.209 20.022 1.00 0.00 O ATOM 0 H GLU A 27 29.833 30.451 19.304 1.00 0.00 H new ATOM 0 HA GLU A 27 27.111 31.167 18.633 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.047 29.123 19.932 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.345 30.229 21.258 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.274 29.322 21.829 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.819 30.837 21.073 1.00 0.00 H new ATOM 463 N PHE A 28 28.719 32.922 20.964 1.00 0.00 N ATOM 464 CA PHE A 28 28.556 34.064 21.867 1.00 0.00 C ATOM 465 C PHE A 28 28.834 35.442 21.243 1.00 0.00 C ATOM 466 O PHE A 28 28.340 36.439 21.773 1.00 0.00 O ATOM 467 CB PHE A 28 29.265 33.823 23.204 1.00 0.00 C ATOM 468 CG PHE A 28 28.444 32.924 24.111 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.432 33.484 24.914 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.628 31.527 24.103 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.615 32.659 25.708 1.00 0.00 C ATOM 472 CE2 PHE A 28 27.813 30.700 24.897 1.00 0.00 C ATOM 473 CZ PHE A 28 26.807 31.267 25.701 1.00 0.00 C ATOM 0 H PHE A 28 29.602 32.424 21.074 1.00 0.00 H new ATOM 0 HA PHE A 28 27.488 34.122 22.079 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.240 33.369 23.024 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.444 34.777 23.700 1.00 0.00 H new ATOM 0 HD1 PHE A 28 27.282 34.554 24.920 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.398 31.089 23.485 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.841 33.095 26.322 1.00 0.00 H new ATOM 0 HE2 PHE A 28 27.959 29.630 24.890 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.183 30.633 26.313 1.00 0.00 H new ATOM 483 N ARG A 29 29.480 35.535 20.070 1.00 0.00 N ATOM 484 CA ARG A 29 29.579 36.809 19.324 1.00 0.00 C ATOM 485 C ARG A 29 28.227 37.418 18.932 1.00 0.00 C ATOM 486 O ARG A 29 28.166 38.630 18.748 1.00 0.00 O ATOM 487 CB ARG A 29 30.464 36.644 18.073 1.00 0.00 C ATOM 488 CG ARG A 29 31.936 36.928 18.394 1.00 0.00 C ATOM 489 CD ARG A 29 32.768 36.906 17.107 1.00 0.00 C ATOM 490 NE ARG A 29 34.152 37.355 17.334 1.00 0.00 N ATOM 491 CZ ARG A 29 34.600 38.592 17.430 1.00 0.00 C ATOM 492 NH1 ARG A 29 33.806 39.626 17.354 1.00 0.00 N ATOM 493 NH2 ARG A 29 35.867 38.813 17.609 1.00 0.00 N ATOM 0 H ARG A 29 29.942 34.748 19.615 1.00 0.00 H new ATOM 0 HA ARG A 29 30.040 37.512 20.018 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.363 35.631 17.684 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.122 37.322 17.291 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.030 37.899 18.881 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.314 36.183 19.094 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.778 35.895 16.699 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.297 37.546 16.361 1.00 0.00 H new ATOM 0 HE ARG A 29 34.851 36.618 17.429 1.00 0.00 H new ATOM 0 HH11 ARG A 29 32.804 39.491 17.216 1.00 0.00 H new ATOM 0 HH12 ARG A 29 34.187 40.569 17.433 1.00 0.00 H new ATOM 0 HH21 ARG A 29 36.517 38.030 17.675 1.00 0.00 H new ATOM 0 HH22 ARG A 29 36.212 39.770 17.683 1.00 0.00 H new ATOM 507 N LYS A 30 27.141 36.631 18.854 1.00 0.00 N ATOM 508 CA LYS A 30 25.783 37.168 18.615 1.00 0.00 C ATOM 509 C LYS A 30 25.167 37.857 19.852 1.00 0.00 C ATOM 510 O LYS A 30 24.112 38.474 19.744 1.00 0.00 O ATOM 511 CB LYS A 30 24.887 36.083 17.973 1.00 0.00 C ATOM 512 CG LYS A 30 24.072 35.207 18.942 1.00 0.00 C ATOM 513 CD LYS A 30 22.597 35.635 18.992 1.00 0.00 C ATOM 514 CE LYS A 30 21.834 35.048 20.179 1.00 0.00 C ATOM 515 NZ LYS A 30 20.379 35.045 19.897 1.00 0.00 N ATOM 0 H LYS A 30 27.174 35.616 18.953 1.00 0.00 H new ATOM 0 HA LYS A 30 25.863 37.982 17.894 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.193 36.573 17.290 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.519 35.430 17.371 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.138 34.164 18.633 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.503 35.271 19.941 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.543 36.723 19.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.106 35.330 18.068 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.177 34.032 20.375 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.037 35.632 21.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.856 34.839 20.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.094 35.977 19.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.165 34.317 19.186 1.00 0.00 H new ATOM 529 N TYR A 31 25.811 37.753 21.020 1.00 0.00 N ATOM 530 CA TYR A 31 25.386 38.361 22.286 1.00 0.00 C ATOM 531 C TYR A 31 26.219 39.613 22.617 1.00 0.00 C ATOM 532 O TYR A 31 25.660 40.590 23.110 1.00 0.00 O ATOM 533 CB TYR A 31 25.511 37.368 23.460 1.00 0.00 C ATOM 534 CG TYR A 31 24.833 36.006 23.392 1.00 0.00 C ATOM 535 CD1 TYR A 31 25.199 35.077 22.400 1.00 0.00 C ATOM 536 CD2 TYR A 31 23.954 35.596 24.414 1.00 0.00 C ATOM 537 CE1 TYR A 31 24.697 33.766 22.411 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.463 34.273 24.444 1.00 0.00 C ATOM 539 CZ TYR A 31 23.841 33.355 23.441 1.00 0.00 C ATOM 540 OH TYR A 31 23.425 32.064 23.490 1.00 0.00 O ATOM 0 H TYR A 31 26.677 37.222 21.113 1.00 0.00 H new ATOM 0 HA TYR A 31 24.341 38.642 22.156 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.574 37.191 23.621 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.134 37.872 24.350 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.878 35.378 21.616 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.654 36.298 25.178 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.970 33.076 21.627 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.797 33.963 25.236 1.00 0.00 H new ATOM 0 HH TYR A 31 23.572 31.707 24.391 1.00 0.00 H new ATOM 550 N GLY A 32 27.534 39.613 22.355 1.00 0.00 N ATOM 551 CA GLY A 32 28.400 40.758 22.662 1.00 0.00 C ATOM 552 C GLY A 32 29.883 40.597 22.299 1.00 0.00 C ATOM 553 O GLY A 32 30.336 39.548 21.834 1.00 0.00 O ATOM 0 H GLY A 32 28.023 38.826 21.928 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.011 41.632 22.140 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.328 40.966 23.729 1.00 0.00 H new ATOM 557 N ASN A 33 30.651 41.669 22.529 1.00 0.00 N ATOM 558 CA ASN A 33 32.096 41.731 22.281 1.00 0.00 C ATOM 559 C ASN A 33 32.880 40.911 23.320 1.00 0.00 C ATOM 560 O ASN A 33 33.083 41.366 24.447 1.00 0.00 O ATOM 561 CB ASN A 33 32.556 43.203 22.275 1.00 0.00 C ATOM 562 CG ASN A 33 31.943 44.040 21.168 1.00 0.00 C ATOM 563 OD1 ASN A 33 31.540 43.550 20.125 1.00 0.00 O ATOM 564 ND2 ASN A 33 31.853 45.333 21.363 1.00 0.00 N ATOM 0 H ASN A 33 30.274 42.540 22.903 1.00 0.00 H new ATOM 0 HA ASN A 33 32.301 41.291 21.305 1.00 0.00 H new ATOM 0 HB2 ASN A 33 32.308 43.654 23.236 1.00 0.00 H new ATOM 0 HB3 ASN A 33 33.641 43.233 22.179 1.00 0.00 H new ATOM 0 HD21 ASN A 33 31.446 45.930 20.643 1.00 0.00 H new ATOM 0 HD22 ASN A 33 32.190 45.742 22.235 1.00 0.00 H new ATOM 571 N ILE A 34 33.300 39.700 22.942 1.00 0.00 N ATOM 572 CA ILE A 34 34.030 38.750 23.798 1.00 0.00 C ATOM 573 C ILE A 34 35.436 39.256 24.170 1.00 0.00 C ATOM 574 O ILE A 34 36.320 39.373 23.318 1.00 0.00 O ATOM 575 CB ILE A 34 33.998 37.335 23.165 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.685 36.250 24.028 1.00 0.00 C ATOM 577 CG2 ILE A 34 34.455 37.282 21.694 1.00 0.00 C ATOM 578 CD1 ILE A 34 36.195 36.030 23.835 1.00 0.00 C ATOM 0 H ILE A 34 33.138 39.339 22.002 1.00 0.00 H new ATOM 0 HA ILE A 34 33.521 38.671 24.758 1.00 0.00 H new ATOM 0 HB ILE A 34 32.936 37.088 23.149 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.514 36.497 25.076 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.181 35.302 23.838 1.00 0.00 H new ATOM 0 HG21 ILE A 34 34.401 36.255 21.333 1.00 0.00 H new ATOM 0 HG22 ILE A 34 33.806 37.914 21.088 1.00 0.00 H new ATOM 0 HG23 ILE A 34 35.482 37.639 21.619 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.536 35.241 24.505 1.00 0.00 H new ATOM 0 HD12 ILE A 34 36.391 35.740 22.803 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.729 36.953 24.060 1.00 0.00 H new ATOM 590 N LEU A 35 35.648 39.541 25.458 1.00 0.00 N ATOM 591 CA LEU A 35 36.936 39.974 26.023 1.00 0.00 C ATOM 592 C LEU A 35 37.787 38.794 26.531 1.00 0.00 C ATOM 593 O LEU A 35 39.019 38.840 26.476 1.00 0.00 O ATOM 594 CB LEU A 35 36.686 40.993 27.155 1.00 0.00 C ATOM 595 CG LEU A 35 35.806 42.204 26.787 1.00 0.00 C ATOM 596 CD1 LEU A 35 35.756 43.162 27.976 1.00 0.00 C ATOM 597 CD2 LEU A 35 36.331 42.976 25.574 1.00 0.00 C ATOM 0 H LEU A 35 34.910 39.476 26.159 1.00 0.00 H new ATOM 0 HA LEU A 35 37.507 40.445 25.223 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.221 40.471 27.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 37.650 41.362 27.505 1.00 0.00 H new ATOM 0 HG LEU A 35 34.819 41.816 26.535 1.00 0.00 H new ATOM 0 HD11 LEU A 35 35.135 44.022 27.724 1.00 0.00 H new ATOM 0 HD12 LEU A 35 35.332 42.649 28.839 1.00 0.00 H new ATOM 0 HD13 LEU A 35 36.765 43.500 28.214 1.00 0.00 H new ATOM 0 HD21 LEU A 35 35.670 43.817 25.364 1.00 0.00 H new ATOM 0 HD22 LEU A 35 37.334 43.347 25.785 1.00 0.00 H new ATOM 0 HD23 LEU A 35 36.364 42.315 24.708 1.00 0.00 H new ATOM 609 N LYS A 36 37.127 37.726 26.997 1.00 0.00 N ATOM 610 CA LYS A 36 37.699 36.393 27.253 1.00 0.00 C ATOM 611 C LYS A 36 36.580 35.347 27.296 1.00 0.00 C ATOM 612 O LYS A 36 35.423 35.676 27.550 1.00 0.00 O ATOM 613 CB LYS A 36 38.489 36.370 28.582 1.00 0.00 C ATOM 614 CG LYS A 36 39.642 35.346 28.557 1.00 0.00 C ATOM 615 CD LYS A 36 40.193 35.011 29.959 1.00 0.00 C ATOM 616 CE LYS A 36 39.904 33.570 30.414 1.00 0.00 C ATOM 617 NZ LYS A 36 40.638 32.543 29.630 1.00 0.00 N ATOM 0 H LYS A 36 36.132 37.767 27.217 1.00 0.00 H new ATOM 0 HA LYS A 36 38.389 36.157 26.443 1.00 0.00 H new ATOM 0 HB2 LYS A 36 38.892 37.363 28.780 1.00 0.00 H new ATOM 0 HB3 LYS A 36 37.811 36.131 29.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.293 34.429 28.083 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.451 35.736 27.940 1.00 0.00 H new ATOM 0 HD2 LYS A 36 41.271 35.174 29.964 1.00 0.00 H new ATOM 0 HD3 LYS A 36 39.763 35.703 30.683 1.00 0.00 H new ATOM 0 HE2 LYS A 36 40.168 33.470 31.467 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.834 33.380 30.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 40.591 31.629 30.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.205 32.450 28.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.632 32.830 29.527 1.00 0.00 H new ATOM 631 N CYS A 37 36.935 34.080 27.130 1.00 0.00 N ATOM 632 CA CYS A 37 36.117 32.936 27.527 1.00 0.00 C ATOM 633 C CYS A 37 37.000 31.863 28.191 1.00 0.00 C ATOM 634 O CYS A 37 38.232 31.938 28.111 1.00 0.00 O ATOM 635 CB CYS A 37 35.325 32.421 26.318 1.00 0.00 C ATOM 636 SG CYS A 37 36.440 31.836 25.006 1.00 0.00 S ATOM 0 H CYS A 37 37.822 33.810 26.705 1.00 0.00 H new ATOM 0 HA CYS A 37 35.382 33.233 28.275 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.667 31.609 26.629 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.688 33.217 25.931 1.00 0.00 H new ATOM 0 HG CYS A 37 35.738 31.406 24.000 1.00 0.00 H new ATOM 642 N ASP A 38 36.386 30.907 28.892 1.00 0.00 N ATOM 643 CA ASP A 38 37.070 29.736 29.462 1.00 0.00 C ATOM 644 C ASP A 38 36.081 28.596 29.798 1.00 0.00 C ATOM 645 O ASP A 38 34.862 28.792 29.741 1.00 0.00 O ATOM 646 CB ASP A 38 37.884 30.142 30.705 1.00 0.00 C ATOM 647 CG ASP A 38 39.224 29.409 30.723 1.00 0.00 C ATOM 648 OD1 ASP A 38 40.181 29.877 30.067 1.00 0.00 O ATOM 649 OD2 ASP A 38 39.281 28.346 31.369 1.00 0.00 O ATOM 0 H ASP A 38 35.384 30.922 29.084 1.00 0.00 H new ATOM 0 HA ASP A 38 37.755 29.353 28.705 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.051 31.219 30.703 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.322 29.908 31.609 1.00 0.00 H new ATOM 654 N VAL A 39 36.596 27.415 30.161 1.00 0.00 N ATOM 655 CA VAL A 39 35.818 26.168 30.314 1.00 0.00 C ATOM 656 C VAL A 39 36.265 25.374 31.550 1.00 0.00 C ATOM 657 O VAL A 39 37.456 25.298 31.851 1.00 0.00 O ATOM 658 CB VAL A 39 35.875 25.343 29.009 1.00 0.00 C ATOM 659 CG1 VAL A 39 37.275 24.795 28.692 1.00 0.00 C ATOM 660 CG2 VAL A 39 34.896 24.165 28.999 1.00 0.00 C ATOM 0 H VAL A 39 37.588 27.291 30.362 1.00 0.00 H new ATOM 0 HA VAL A 39 34.772 26.422 30.489 1.00 0.00 H new ATOM 0 HB VAL A 39 35.589 26.062 28.241 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.241 24.226 27.763 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.975 25.624 28.585 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.604 24.145 29.503 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.985 23.626 28.056 1.00 0.00 H new ATOM 0 HG22 VAL A 39 35.128 23.492 29.825 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.878 24.537 29.109 1.00 0.00 H new ATOM 670 N LYS A 40 35.308 24.808 32.296 1.00 0.00 N ATOM 671 CA LYS A 40 35.491 24.136 33.604 1.00 0.00 C ATOM 672 C LYS A 40 34.583 22.907 33.718 1.00 0.00 C ATOM 673 O LYS A 40 33.834 22.599 32.793 1.00 0.00 O ATOM 674 CB LYS A 40 35.222 25.118 34.772 1.00 0.00 C ATOM 675 CG LYS A 40 35.932 26.478 34.675 1.00 0.00 C ATOM 676 CD LYS A 40 37.457 26.365 34.799 1.00 0.00 C ATOM 677 CE LYS A 40 38.086 27.534 34.044 1.00 0.00 C ATOM 678 NZ LYS A 40 39.538 27.354 33.860 1.00 0.00 N ATOM 0 H LYS A 40 34.333 24.802 31.995 1.00 0.00 H new ATOM 0 HA LYS A 40 36.527 23.804 33.667 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.148 25.293 34.835 1.00 0.00 H new ATOM 0 HB3 LYS A 40 35.522 24.637 35.703 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.684 26.945 33.722 1.00 0.00 H new ATOM 0 HG3 LYS A 40 35.556 27.135 35.459 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.755 26.385 35.847 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.802 25.417 34.387 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.607 27.637 33.070 1.00 0.00 H new ATOM 0 HE3 LYS A 40 37.901 28.460 34.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 39.843 27.853 33.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 40.043 27.742 34.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 39.753 26.341 33.768 1.00 0.00 H new ATOM 692 N LYS A 41 34.661 22.183 34.838 1.00 0.00 N ATOM 693 CA LYS A 41 33.799 21.025 35.138 1.00 0.00 C ATOM 694 C LYS A 41 33.737 20.728 36.638 1.00 0.00 C ATOM 695 O LYS A 41 34.747 20.883 37.332 1.00 0.00 O ATOM 696 CB LYS A 41 34.229 19.783 34.322 1.00 0.00 C ATOM 697 CG LYS A 41 35.482 19.015 34.792 1.00 0.00 C ATOM 698 CD LYS A 41 36.825 19.764 34.814 1.00 0.00 C ATOM 699 CE LYS A 41 37.352 20.158 33.426 1.00 0.00 C ATOM 700 NZ LYS A 41 38.742 20.685 33.499 1.00 0.00 N ATOM 0 H LYS A 41 35.334 22.384 35.577 1.00 0.00 H new ATOM 0 HA LYS A 41 32.786 21.286 34.831 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.393 19.084 34.309 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.396 20.099 33.292 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.289 18.647 35.800 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.598 18.142 34.150 1.00 0.00 H new ATOM 0 HD2 LYS A 41 36.715 20.665 35.417 1.00 0.00 H new ATOM 0 HD3 LYS A 41 37.569 19.138 35.308 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.325 19.291 32.766 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.698 20.912 32.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 39.067 20.941 32.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.763 21.527 34.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.369 19.956 33.894 1.00 0.00 H new ATOM 714 N THR A 42 32.590 20.260 37.130 1.00 0.00 N ATOM 715 CA THR A 42 32.482 19.653 38.470 1.00 0.00 C ATOM 716 C THR A 42 32.971 18.200 38.453 1.00 0.00 C ATOM 717 O THR A 42 32.896 17.501 37.439 1.00 0.00 O ATOM 718 CB THR A 42 31.056 19.754 39.060 1.00 0.00 C ATOM 719 OG1 THR A 42 30.966 19.023 40.264 1.00 0.00 O ATOM 720 CG2 THR A 42 29.966 19.184 38.158 1.00 0.00 C ATOM 0 H THR A 42 31.708 20.288 36.618 1.00 0.00 H new ATOM 0 HA THR A 42 33.131 20.230 39.129 1.00 0.00 H new ATOM 0 HB THR A 42 30.895 20.824 39.194 1.00 0.00 H new ATOM 0 HG1 THR A 42 30.058 19.098 40.625 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.997 19.294 38.645 1.00 0.00 H new ATOM 0 HG22 THR A 42 29.959 19.723 37.210 1.00 0.00 H new ATOM 0 HG23 THR A 42 30.162 18.128 37.973 1.00 0.00 H new ATOM 728 N VAL A 43 33.398 17.707 39.615 1.00 0.00 N ATOM 729 CA VAL A 43 33.604 16.277 39.897 1.00 0.00 C ATOM 730 C VAL A 43 32.352 15.424 39.616 1.00 0.00 C ATOM 731 O VAL A 43 32.469 14.265 39.219 1.00 0.00 O ATOM 732 CB VAL A 43 34.068 16.096 41.355 1.00 0.00 C ATOM 733 CG1 VAL A 43 35.444 16.730 41.583 1.00 0.00 C ATOM 734 CG2 VAL A 43 33.086 16.647 42.400 1.00 0.00 C ATOM 0 H VAL A 43 33.618 18.304 40.412 1.00 0.00 H new ATOM 0 HA VAL A 43 34.378 15.920 39.217 1.00 0.00 H new ATOM 0 HB VAL A 43 34.119 15.017 41.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 35.744 16.586 42.621 1.00 0.00 H new ATOM 0 HG12 VAL A 43 36.175 16.259 40.925 1.00 0.00 H new ATOM 0 HG13 VAL A 43 35.394 17.797 41.365 1.00 0.00 H new ATOM 0 HG21 VAL A 43 33.487 16.480 43.400 1.00 0.00 H new ATOM 0 HG22 VAL A 43 32.946 17.716 42.239 1.00 0.00 H new ATOM 0 HG23 VAL A 43 32.128 16.137 42.304 1.00 0.00 H new ATOM 744 N SER A 44 31.152 16.015 39.712 1.00 0.00 N ATOM 745 CA SER A 44 29.866 15.396 39.341 1.00 0.00 C ATOM 746 C SER A 44 29.577 15.404 37.820 1.00 0.00 C ATOM 747 O SER A 44 28.428 15.328 37.374 1.00 0.00 O ATOM 748 CB SER A 44 28.739 16.023 40.169 1.00 0.00 C ATOM 749 OG SER A 44 27.582 15.212 40.131 1.00 0.00 O ATOM 0 H SER A 44 31.044 16.967 40.061 1.00 0.00 H new ATOM 0 HA SER A 44 29.930 14.335 39.583 1.00 0.00 H new ATOM 0 HB2 SER A 44 29.066 16.150 41.201 1.00 0.00 H new ATOM 0 HB3 SER A 44 28.506 17.016 39.784 1.00 0.00 H new ATOM 0 HG SER A 44 27.325 15.053 39.199 1.00 0.00 H new ATOM 755 N GLY A 45 30.618 15.542 36.996 1.00 0.00 N ATOM 756 CA GLY A 45 30.607 15.287 35.553 1.00 0.00 C ATOM 757 C GLY A 45 29.982 16.353 34.645 1.00 0.00 C ATOM 758 O GLY A 45 30.163 16.275 33.429 1.00 0.00 O ATOM 0 H GLY A 45 31.532 15.848 37.330 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.637 15.135 35.232 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.078 14.349 35.382 1.00 0.00 H new ATOM 762 N ALA A 46 29.271 17.348 35.177 1.00 0.00 N ATOM 763 CA ALA A 46 28.794 18.476 34.379 1.00 0.00 C ATOM 764 C ALA A 46 29.955 19.407 33.985 1.00 0.00 C ATOM 765 O ALA A 46 30.710 19.878 34.840 1.00 0.00 O ATOM 766 CB ALA A 46 27.684 19.224 35.126 1.00 0.00 C ATOM 0 H ALA A 46 29.012 17.394 36.163 1.00 0.00 H new ATOM 0 HA ALA A 46 28.369 18.093 33.451 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.338 20.062 34.520 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.852 18.546 35.316 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.071 19.597 36.074 1.00 0.00 H new ATOM 772 N ALA A 47 30.087 19.683 32.684 1.00 0.00 N ATOM 773 CA ALA A 47 30.959 20.735 32.168 1.00 0.00 C ATOM 774 C ALA A 47 30.281 22.115 32.243 1.00 0.00 C ATOM 775 O ALA A 47 29.050 22.215 32.186 1.00 0.00 O ATOM 776 CB ALA A 47 31.378 20.381 30.735 1.00 0.00 C ATOM 0 H ALA A 47 29.585 19.176 31.955 1.00 0.00 H new ATOM 0 HA ALA A 47 31.852 20.799 32.790 1.00 0.00 H new ATOM 0 HB1 ALA A 47 32.029 21.162 30.343 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.911 19.430 30.736 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.491 20.299 30.106 1.00 0.00 H new ATOM 782 N PHE A 48 31.096 23.168 32.324 1.00 0.00 N ATOM 783 CA PHE A 48 30.691 24.571 32.448 1.00 0.00 C ATOM 784 C PHE A 48 31.493 25.451 31.481 1.00 0.00 C ATOM 785 O PHE A 48 32.680 25.203 31.270 1.00 0.00 O ATOM 786 CB PHE A 48 30.921 25.066 33.887 1.00 0.00 C ATOM 787 CG PHE A 48 30.485 24.147 35.016 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.183 23.617 35.046 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.370 23.875 36.077 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.765 22.831 36.131 1.00 0.00 C ATOM 791 CE2 PHE A 48 30.947 23.101 37.169 1.00 0.00 C ATOM 792 CZ PHE A 48 29.640 22.584 37.201 1.00 0.00 C ATOM 0 H PHE A 48 32.110 23.060 32.304 1.00 0.00 H new ATOM 0 HA PHE A 48 29.631 24.640 32.202 1.00 0.00 H new ATOM 0 HB2 PHE A 48 31.985 25.269 34.008 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.400 26.016 34.005 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.502 23.815 34.231 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.377 24.263 36.050 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.768 22.415 36.143 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.626 22.903 37.985 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.310 21.998 38.046 1.00 0.00 H new ATOM 802 N ALA A 49 30.887 26.506 30.934 1.00 0.00 N ATOM 803 CA ALA A 49 31.559 27.472 30.063 1.00 0.00 C ATOM 804 C ALA A 49 31.170 28.914 30.420 1.00 0.00 C ATOM 805 O ALA A 49 30.047 29.181 30.851 1.00 0.00 O ATOM 806 CB ALA A 49 31.279 27.125 28.595 1.00 0.00 C ATOM 0 H ALA A 49 29.901 26.717 31.086 1.00 0.00 H new ATOM 0 HA ALA A 49 32.636 27.408 30.219 1.00 0.00 H new ATOM 0 HB1 ALA A 49 31.780 27.846 27.949 1.00 0.00 H new ATOM 0 HB2 ALA A 49 31.652 26.124 28.380 1.00 0.00 H new ATOM 0 HB3 ALA A 49 30.205 27.159 28.412 1.00 0.00 H new ATOM 812 N PHE A 50 32.119 29.837 30.238 1.00 0.00 N ATOM 813 CA PHE A 50 32.022 31.213 30.727 1.00 0.00 C ATOM 814 C PHE A 50 32.540 32.222 29.701 1.00 0.00 C ATOM 815 O PHE A 50 33.545 31.957 29.038 1.00 0.00 O ATOM 816 CB PHE A 50 32.818 31.356 32.029 1.00 0.00 C ATOM 817 CG PHE A 50 32.464 30.381 33.131 1.00 0.00 C ATOM 818 CD1 PHE A 50 33.117 29.135 33.200 1.00 0.00 C ATOM 819 CD2 PHE A 50 31.507 30.724 34.104 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.813 28.240 34.238 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.222 29.833 35.152 1.00 0.00 C ATOM 822 CZ PHE A 50 31.879 28.592 35.222 1.00 0.00 C ATOM 0 H PHE A 50 32.988 29.645 29.740 1.00 0.00 H new ATOM 0 HA PHE A 50 30.968 31.426 30.904 1.00 0.00 H new ATOM 0 HB2 PHE A 50 33.877 31.245 31.798 1.00 0.00 H new ATOM 0 HB3 PHE A 50 32.679 32.369 32.408 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.851 28.868 32.455 1.00 0.00 H new ATOM 0 HD2 PHE A 50 30.992 31.671 34.045 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.300 27.277 34.278 1.00 0.00 H new ATOM 0 HE2 PHE A 50 30.497 30.102 35.906 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.664 27.911 36.032 1.00 0.00 H new ATOM 832 N ILE A 51 31.885 33.384 29.597 1.00 0.00 N ATOM 833 CA ILE A 51 32.176 34.413 28.584 1.00 0.00 C ATOM 834 C ILE A 51 32.097 35.816 29.194 1.00 0.00 C ATOM 835 O ILE A 51 31.090 36.167 29.808 1.00 0.00 O ATOM 836 CB ILE A 51 31.232 34.298 27.354 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.170 32.881 26.729 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.693 35.284 26.266 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.057 31.996 27.309 1.00 0.00 C ATOM 0 H ILE A 51 31.124 33.643 30.224 1.00 0.00 H new ATOM 0 HA ILE A 51 33.194 34.243 28.234 1.00 0.00 H new ATOM 0 HB ILE A 51 30.232 34.528 27.722 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.023 32.975 25.653 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.130 32.386 26.878 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.034 35.206 25.402 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.659 36.300 26.658 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.713 35.044 25.967 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.077 31.021 26.822 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.213 31.870 28.380 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.090 32.468 27.136 1.00 0.00 H new ATOM 851 N GLU A 52 33.146 36.616 29.016 1.00 0.00 N ATOM 852 CA GLU A 52 33.274 38.004 29.473 1.00 0.00 C ATOM 853 C GLU A 52 32.892 38.979 28.330 1.00 0.00 C ATOM 854 O GLU A 52 33.490 38.926 27.253 1.00 0.00 O ATOM 855 CB GLU A 52 34.733 38.226 29.955 1.00 0.00 C ATOM 856 CG GLU A 52 34.899 38.932 31.311 1.00 0.00 C ATOM 857 CD GLU A 52 34.306 40.343 31.389 1.00 0.00 C ATOM 858 OE1 GLU A 52 33.948 40.942 30.353 1.00 0.00 O ATOM 859 OE2 GLU A 52 34.036 40.859 32.497 1.00 0.00 O ATOM 0 H GLU A 52 33.979 36.298 28.521 1.00 0.00 H new ATOM 0 HA GLU A 52 32.594 38.200 30.302 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.227 37.256 30.011 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.259 38.808 29.199 1.00 0.00 H new ATOM 0 HG2 GLU A 52 34.435 38.317 32.082 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.962 38.988 31.545 1.00 0.00 H new ATOM 866 N PHE A 53 31.924 39.871 28.569 1.00 0.00 N ATOM 867 CA PHE A 53 31.583 41.002 27.688 1.00 0.00 C ATOM 868 C PHE A 53 31.709 42.356 28.401 1.00 0.00 C ATOM 869 O PHE A 53 31.320 42.482 29.562 1.00 0.00 O ATOM 870 CB PHE A 53 30.130 40.901 27.193 1.00 0.00 C ATOM 871 CG PHE A 53 29.725 39.645 26.449 1.00 0.00 C ATOM 872 CD1 PHE A 53 30.551 39.099 25.452 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.470 39.071 26.707 1.00 0.00 C ATOM 874 CE1 PHE A 53 30.120 37.991 24.708 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.043 37.950 25.978 1.00 0.00 C ATOM 876 CZ PHE A 53 28.869 37.413 24.979 1.00 0.00 C ATOM 0 H PHE A 53 31.338 39.828 29.403 1.00 0.00 H new ATOM 0 HA PHE A 53 32.289 40.948 26.859 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.473 41.005 28.057 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.938 41.753 26.541 1.00 0.00 H new ATOM 0 HD1 PHE A 53 31.520 39.534 25.258 1.00 0.00 H new ATOM 0 HD2 PHE A 53 27.831 39.493 27.469 1.00 0.00 H new ATOM 0 HE1 PHE A 53 30.748 37.584 23.929 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.082 37.502 26.185 1.00 0.00 H new ATOM 0 HZ PHE A 53 28.541 36.552 24.416 1.00 0.00 H new ATOM 886 N GLU A 54 32.111 43.407 27.681 1.00 0.00 N ATOM 887 CA GLU A 54 31.951 44.796 28.152 1.00 0.00 C ATOM 888 C GLU A 54 30.468 45.204 28.265 1.00 0.00 C ATOM 889 O GLU A 54 30.008 45.620 29.328 1.00 0.00 O ATOM 890 CB GLU A 54 32.720 45.792 27.260 1.00 0.00 C ATOM 891 CG GLU A 54 32.680 45.506 25.744 1.00 0.00 C ATOM 892 CD GLU A 54 33.022 46.736 24.890 1.00 0.00 C ATOM 893 OE1 GLU A 54 33.568 47.740 25.410 1.00 0.00 O ATOM 894 OE2 GLU A 54 32.685 46.740 23.680 1.00 0.00 O ATOM 0 H GLU A 54 32.552 43.327 26.765 1.00 0.00 H new ATOM 0 HA GLU A 54 32.381 44.834 29.153 1.00 0.00 H new ATOM 0 HB2 GLU A 54 32.318 46.790 27.433 1.00 0.00 H new ATOM 0 HB3 GLU A 54 33.762 45.808 27.580 1.00 0.00 H new ATOM 0 HG2 GLU A 54 33.381 44.704 25.513 1.00 0.00 H new ATOM 0 HG3 GLU A 54 31.686 45.148 25.474 1.00 0.00 H new ATOM 901 N ASP A 55 29.691 45.055 27.188 1.00 0.00 N ATOM 902 CA ASP A 55 28.278 45.443 27.125 1.00 0.00 C ATOM 903 C ASP A 55 27.331 44.417 27.755 1.00 0.00 C ATOM 904 O ASP A 55 26.396 43.925 27.120 1.00 0.00 O ATOM 905 CB ASP A 55 27.888 45.815 25.691 1.00 0.00 C ATOM 906 CG ASP A 55 28.558 47.120 25.302 1.00 0.00 C ATOM 907 OD1 ASP A 55 28.040 48.179 25.724 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.613 47.087 24.639 1.00 0.00 O ATOM 0 H ASP A 55 30.034 44.652 26.316 1.00 0.00 H new ATOM 0 HA ASP A 55 28.161 46.332 27.745 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.187 45.023 25.005 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.805 45.913 25.612 1.00 0.00 H new ATOM 913 N ALA A 56 27.531 44.142 29.045 1.00 0.00 N ATOM 914 CA ALA A 56 26.641 43.300 29.845 1.00 0.00 C ATOM 915 C ALA A 56 25.160 43.711 29.706 1.00 0.00 C ATOM 916 O ALA A 56 24.289 42.850 29.601 1.00 0.00 O ATOM 917 CB ALA A 56 27.125 43.375 31.299 1.00 0.00 C ATOM 0 H ALA A 56 28.327 44.503 29.570 1.00 0.00 H new ATOM 0 HA ALA A 56 26.683 42.272 29.486 1.00 0.00 H new ATOM 0 HB1 ALA A 56 26.484 42.758 31.928 1.00 0.00 H new ATOM 0 HB2 ALA A 56 28.151 43.012 31.360 1.00 0.00 H new ATOM 0 HB3 ALA A 56 27.084 44.408 31.643 1.00 0.00 H new ATOM 923 N ARG A 57 24.868 45.023 29.619 1.00 0.00 N ATOM 924 CA ARG A 57 23.500 45.533 29.417 1.00 0.00 C ATOM 925 C ARG A 57 22.894 45.216 28.046 1.00 0.00 C ATOM 926 O ARG A 57 21.687 45.016 27.962 1.00 0.00 O ATOM 927 CB ARG A 57 23.381 47.030 29.775 1.00 0.00 C ATOM 928 CG ARG A 57 23.774 48.091 28.725 1.00 0.00 C ATOM 929 CD ARG A 57 25.281 48.308 28.487 1.00 0.00 C ATOM 930 NE ARG A 57 25.546 49.739 28.246 1.00 0.00 N ATOM 931 CZ ARG A 57 25.593 50.375 27.091 1.00 0.00 C ATOM 932 NH1 ARG A 57 25.870 49.830 25.945 1.00 0.00 N ATOM 933 NH2 ARG A 57 25.334 51.642 27.066 1.00 0.00 N ATOM 0 H ARG A 57 25.573 45.757 29.687 1.00 0.00 H new ATOM 0 HA ARG A 57 22.888 44.973 30.124 1.00 0.00 H new ATOM 0 HB2 ARG A 57 22.345 47.218 30.059 1.00 0.00 H new ATOM 0 HB3 ARG A 57 23.991 47.204 30.661 1.00 0.00 H new ATOM 0 HG2 ARG A 57 23.316 47.815 27.775 1.00 0.00 H new ATOM 0 HG3 ARG A 57 23.337 49.044 29.024 1.00 0.00 H new ATOM 0 HD2 ARG A 57 25.849 47.964 29.352 1.00 0.00 H new ATOM 0 HD3 ARG A 57 25.613 47.718 27.633 1.00 0.00 H new ATOM 0 HE ARG A 57 25.714 50.308 29.076 1.00 0.00 H new ATOM 0 HH11 ARG A 57 26.074 48.832 25.891 1.00 0.00 H new ATOM 0 HH12 ARG A 57 25.884 50.400 25.099 1.00 0.00 H new ATOM 0 HH21 ARG A 57 25.099 52.132 27.929 1.00 0.00 H new ATOM 0 HH22 ARG A 57 25.365 52.152 26.183 1.00 0.00 H new ATOM 947 N ASP A 58 23.700 45.163 26.986 1.00 0.00 N ATOM 948 CA ASP A 58 23.225 44.831 25.636 1.00 0.00 C ATOM 949 C ASP A 58 23.044 43.317 25.472 1.00 0.00 C ATOM 950 O ASP A 58 22.023 42.843 24.967 1.00 0.00 O ATOM 951 CB ASP A 58 24.221 45.372 24.595 1.00 0.00 C ATOM 952 CG ASP A 58 23.690 45.257 23.167 1.00 0.00 C ATOM 953 OD1 ASP A 58 22.567 45.752 22.911 1.00 0.00 O ATOM 954 OD2 ASP A 58 24.378 44.658 22.314 1.00 0.00 O ATOM 0 H ASP A 58 24.702 45.349 27.035 1.00 0.00 H new ATOM 0 HA ASP A 58 22.253 45.298 25.481 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.441 46.417 24.815 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.160 44.825 24.676 1.00 0.00 H new ATOM 959 N ALA A 59 24.025 42.555 25.965 1.00 0.00 N ATOM 960 CA ALA A 59 24.060 41.097 25.921 1.00 0.00 C ATOM 961 C ALA A 59 22.978 40.427 26.784 1.00 0.00 C ATOM 962 O ALA A 59 22.612 39.284 26.511 1.00 0.00 O ATOM 963 CB ALA A 59 25.457 40.658 26.371 1.00 0.00 C ATOM 0 H ALA A 59 24.845 42.955 26.422 1.00 0.00 H new ATOM 0 HA ALA A 59 23.848 40.778 24.901 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.521 39.570 26.351 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.205 41.078 25.698 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.641 41.013 27.385 1.00 0.00 H new ATOM 969 N ALA A 60 22.465 41.113 27.814 1.00 0.00 N ATOM 970 CA ALA A 60 21.428 40.590 28.702 1.00 0.00 C ATOM 971 C ALA A 60 20.183 40.099 27.938 1.00 0.00 C ATOM 972 O ALA A 60 19.684 39.016 28.243 1.00 0.00 O ATOM 973 CB ALA A 60 21.062 41.674 29.720 1.00 0.00 C ATOM 0 H ALA A 60 22.765 42.058 28.054 1.00 0.00 H new ATOM 0 HA ALA A 60 21.824 39.714 29.216 1.00 0.00 H new ATOM 0 HB1 ALA A 60 20.289 41.298 30.390 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.945 41.942 30.300 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.691 42.555 29.196 1.00 0.00 H new ATOM 979 N ASP A 61 19.728 40.826 26.912 1.00 0.00 N ATOM 980 CA ASP A 61 18.551 40.438 26.123 1.00 0.00 C ATOM 981 C ASP A 61 18.771 39.129 25.341 1.00 0.00 C ATOM 982 O ASP A 61 17.910 38.249 25.315 1.00 0.00 O ATOM 983 CB ASP A 61 18.165 41.569 25.163 1.00 0.00 C ATOM 984 CG ASP A 61 16.768 41.321 24.598 1.00 0.00 C ATOM 985 OD1 ASP A 61 15.798 41.363 25.388 1.00 0.00 O ATOM 986 OD2 ASP A 61 16.618 41.024 23.389 1.00 0.00 O ATOM 0 H ASP A 61 20.162 41.696 26.605 1.00 0.00 H new ATOM 0 HA ASP A 61 17.737 40.259 26.825 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.190 42.525 25.686 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.889 41.631 24.351 1.00 0.00 H new ATOM 991 N ALA A 62 19.964 38.971 24.756 1.00 0.00 N ATOM 992 CA ALA A 62 20.384 37.754 24.066 1.00 0.00 C ATOM 993 C ALA A 62 20.651 36.581 25.029 1.00 0.00 C ATOM 994 O ALA A 62 20.553 35.422 24.624 1.00 0.00 O ATOM 995 CB ALA A 62 21.627 38.086 23.232 1.00 0.00 C ATOM 0 H ALA A 62 20.676 39.702 24.751 1.00 0.00 H new ATOM 0 HA ALA A 62 19.572 37.418 23.421 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.961 37.192 22.706 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.382 38.863 22.508 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.422 38.439 23.889 1.00 0.00 H new ATOM 1001 N ILE A 63 20.983 36.854 26.299 1.00 0.00 N ATOM 1002 CA ILE A 63 21.171 35.818 27.324 1.00 0.00 C ATOM 1003 C ILE A 63 19.836 35.322 27.888 1.00 0.00 C ATOM 1004 O ILE A 63 19.665 34.108 28.019 1.00 0.00 O ATOM 1005 CB ILE A 63 22.190 36.271 28.406 1.00 0.00 C ATOM 1006 CG1 ILE A 63 23.369 35.278 28.492 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.619 36.541 29.811 1.00 0.00 C ATOM 1008 CD1 ILE A 63 23.022 33.857 28.958 1.00 0.00 C ATOM 0 H ILE A 63 21.129 37.802 26.645 1.00 0.00 H new ATOM 0 HA ILE A 63 21.617 34.945 26.848 1.00 0.00 H new ATOM 0 HB ILE A 63 22.528 37.247 28.057 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.835 35.213 27.509 1.00 0.00 H new ATOM 0 HG13 ILE A 63 24.115 35.689 29.172 1.00 0.00 H new ATOM 0 HG21 ILE A 63 22.424 36.850 30.478 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.871 37.332 29.754 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.157 35.632 30.197 1.00 0.00 H new ATOM 0 HD11 ILE A 63 23.927 33.250 28.979 1.00 0.00 H new ATOM 0 HD12 ILE A 63 22.588 33.897 29.957 1.00 0.00 H new ATOM 0 HD13 ILE A 63 22.304 33.413 28.269 1.00 0.00 H new ATOM 1020 N LYS A 64 18.870 36.206 28.188 1.00 0.00 N ATOM 1021 CA LYS A 64 17.643 35.791 28.892 1.00 0.00 C ATOM 1022 C LYS A 64 16.752 34.843 28.088 1.00 0.00 C ATOM 1023 O LYS A 64 16.064 34.028 28.682 1.00 0.00 O ATOM 1024 CB LYS A 64 16.886 36.981 29.516 1.00 0.00 C ATOM 1025 CG LYS A 64 16.370 38.108 28.607 1.00 0.00 C ATOM 1026 CD LYS A 64 15.401 37.683 27.498 1.00 0.00 C ATOM 1027 CE LYS A 64 14.539 38.846 26.991 1.00 0.00 C ATOM 1028 NZ LYS A 64 13.428 39.147 27.925 1.00 0.00 N ATOM 0 H LYS A 64 18.912 37.199 27.958 1.00 0.00 H new ATOM 0 HA LYS A 64 17.981 35.183 29.731 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.029 36.577 30.055 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.544 37.434 30.258 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.875 38.853 29.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.228 38.598 28.146 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.968 37.266 26.666 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.752 36.890 27.871 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.160 39.733 26.865 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.134 38.599 26.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.855 39.927 27.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.831 38.303 28.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.817 39.423 28.849 1.00 0.00 H new ATOM 1042 N GLU A 65 16.824 34.828 26.758 1.00 0.00 N ATOM 1043 CA GLU A 65 16.136 33.805 25.953 1.00 0.00 C ATOM 1044 C GLU A 65 16.628 32.376 26.276 1.00 0.00 C ATOM 1045 O GLU A 65 15.833 31.433 26.253 1.00 0.00 O ATOM 1046 CB GLU A 65 16.262 34.126 24.456 1.00 0.00 C ATOM 1047 CG GLU A 65 17.708 34.348 23.986 1.00 0.00 C ATOM 1048 CD GLU A 65 17.977 33.788 22.589 1.00 0.00 C ATOM 1049 OE1 GLU A 65 17.806 32.566 22.367 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.379 34.559 21.688 1.00 0.00 O ATOM 0 H GLU A 65 17.350 35.509 26.210 1.00 0.00 H new ATOM 0 HA GLU A 65 15.079 33.830 26.219 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.825 33.309 23.881 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.678 35.019 24.236 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.925 35.416 23.991 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.390 33.881 24.696 1.00 0.00 H new ATOM 1057 N LYS A 66 17.893 32.203 26.680 1.00 0.00 N ATOM 1058 CA LYS A 66 18.481 30.914 27.082 1.00 0.00 C ATOM 1059 C LYS A 66 18.165 30.511 28.534 1.00 0.00 C ATOM 1060 O LYS A 66 18.586 29.439 28.958 1.00 0.00 O ATOM 1061 CB LYS A 66 20.004 30.922 26.828 1.00 0.00 C ATOM 1062 CG LYS A 66 20.449 31.331 25.410 1.00 0.00 C ATOM 1063 CD LYS A 66 19.916 30.418 24.291 1.00 0.00 C ATOM 1064 CE LYS A 66 20.394 30.956 22.935 1.00 0.00 C ATOM 1065 NZ LYS A 66 19.958 30.119 21.795 1.00 0.00 N ATOM 0 H LYS A 66 18.556 32.976 26.739 1.00 0.00 H new ATOM 0 HA LYS A 66 18.011 30.152 26.460 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.468 31.601 27.543 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.393 29.925 27.036 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.118 32.352 25.218 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.538 31.336 25.371 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.270 29.398 24.437 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.827 30.384 24.320 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.017 31.970 22.799 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.482 31.018 22.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.310 30.531 20.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.338 29.157 21.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.919 30.080 21.771 1.00 0.00 H new ATOM 1079 N ASP A 67 17.425 31.327 29.290 1.00 0.00 N ATOM 1080 CA ASP A 67 16.961 30.972 30.641 1.00 0.00 C ATOM 1081 C ASP A 67 15.890 29.856 30.634 1.00 0.00 C ATOM 1082 O ASP A 67 15.421 29.433 29.571 1.00 0.00 O ATOM 1083 CB ASP A 67 16.436 32.220 31.377 1.00 0.00 C ATOM 1084 CG ASP A 67 14.965 32.560 31.088 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.408 32.188 30.030 1.00 0.00 O ATOM 1086 OD2 ASP A 67 14.295 33.119 31.978 1.00 0.00 O ATOM 0 H ASP A 67 17.129 32.254 28.985 1.00 0.00 H new ATOM 0 HA ASP A 67 17.824 30.576 31.176 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.557 32.071 32.450 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.054 33.075 31.102 1.00 0.00 H new ATOM 1091 N GLY A 68 15.435 29.449 31.822 1.00 0.00 N ATOM 1092 CA GLY A 68 14.437 28.394 32.005 1.00 0.00 C ATOM 1093 C GLY A 68 15.107 27.034 32.174 1.00 0.00 C ATOM 1094 O GLY A 68 14.712 26.066 31.521 1.00 0.00 O ATOM 0 H GLY A 68 15.758 29.853 32.701 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.826 28.614 32.880 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.766 28.369 31.146 1.00 0.00 H new ATOM 1098 N CYS A 69 16.153 26.979 33.008 1.00 0.00 N ATOM 1099 CA CYS A 69 17.020 25.810 33.172 1.00 0.00 C ATOM 1100 C CYS A 69 16.246 24.525 33.522 1.00 0.00 C ATOM 1101 O CYS A 69 15.186 24.552 34.151 1.00 0.00 O ATOM 1102 CB CYS A 69 18.155 26.125 34.156 1.00 0.00 C ATOM 1103 SG CYS A 69 17.570 26.565 35.822 1.00 0.00 S ATOM 0 H CYS A 69 16.424 27.764 33.600 1.00 0.00 H new ATOM 0 HA CYS A 69 17.474 25.594 32.205 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.814 25.260 34.228 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.751 26.947 33.760 1.00 0.00 H new ATOM 0 HG CYS A 69 16.398 26.039 36.024 1.00 0.00 H new ATOM 1109 N ASP A 70 16.757 23.397 33.038 1.00 0.00 N ATOM 1110 CA ASP A 70 15.983 22.176 32.813 1.00 0.00 C ATOM 1111 C ASP A 70 16.802 20.919 33.140 1.00 0.00 C ATOM 1112 O ASP A 70 18.028 20.910 32.993 1.00 0.00 O ATOM 1113 CB ASP A 70 15.493 22.176 31.351 1.00 0.00 C ATOM 1114 CG ASP A 70 14.281 21.283 31.094 1.00 0.00 C ATOM 1115 OD1 ASP A 70 13.746 20.665 32.046 1.00 0.00 O ATOM 1116 OD2 ASP A 70 13.821 21.238 29.933 1.00 0.00 O ATOM 0 H ASP A 70 17.741 23.302 32.785 1.00 0.00 H new ATOM 0 HA ASP A 70 15.124 22.158 33.484 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.244 23.198 31.064 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.310 21.853 30.706 1.00 0.00 H new ATOM 1121 N PHE A 71 16.123 19.868 33.592 1.00 0.00 N ATOM 1122 CA PHE A 71 16.709 18.654 34.170 1.00 0.00 C ATOM 1123 C PHE A 71 15.759 17.450 34.010 1.00 0.00 C ATOM 1124 O PHE A 71 14.651 17.596 33.495 1.00 0.00 O ATOM 1125 CB PHE A 71 17.071 18.919 35.647 1.00 0.00 C ATOM 1126 CG PHE A 71 15.900 19.182 36.579 1.00 0.00 C ATOM 1127 CD1 PHE A 71 15.353 20.477 36.681 1.00 0.00 C ATOM 1128 CD2 PHE A 71 15.379 18.143 37.377 1.00 0.00 C ATOM 1129 CE1 PHE A 71 14.292 20.730 37.572 1.00 0.00 C ATOM 1130 CE2 PHE A 71 14.319 18.395 38.265 1.00 0.00 C ATOM 1131 CZ PHE A 71 13.775 19.688 38.364 1.00 0.00 C ATOM 0 H PHE A 71 15.104 19.834 33.566 1.00 0.00 H new ATOM 0 HA PHE A 71 17.623 18.398 33.633 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.626 18.060 36.025 1.00 0.00 H new ATOM 0 HB3 PHE A 71 17.743 19.776 35.688 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.749 21.278 36.074 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.796 17.149 37.306 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.875 21.724 37.647 1.00 0.00 H new ATOM 0 HE2 PHE A 71 13.922 17.595 38.872 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.961 19.881 39.047 1.00 0.00 H new ATOM 1141 N GLU A 72 16.175 16.257 34.462 1.00 0.00 N ATOM 1142 CA GLU A 72 15.426 14.989 34.357 1.00 0.00 C ATOM 1143 C GLU A 72 15.090 14.621 32.893 1.00 0.00 C ATOM 1144 O GLU A 72 14.110 15.099 32.309 1.00 0.00 O ATOM 1145 CB GLU A 72 14.217 15.022 35.316 1.00 0.00 C ATOM 1146 CG GLU A 72 13.262 13.818 35.216 1.00 0.00 C ATOM 1147 CD GLU A 72 11.796 14.245 35.046 1.00 0.00 C ATOM 1148 OE1 GLU A 72 11.492 15.119 34.191 1.00 0.00 O ATOM 1149 OE2 GLU A 72 10.927 13.718 35.774 1.00 0.00 O ATOM 0 H GLU A 72 17.075 16.141 34.928 1.00 0.00 H new ATOM 0 HA GLU A 72 16.059 14.164 34.683 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.588 15.086 36.339 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.648 15.932 35.125 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.556 13.194 34.372 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.358 13.206 36.113 1.00 0.00 H new ATOM 1156 N GLY A 73 15.931 13.781 32.281 1.00 0.00 N ATOM 1157 CA GLY A 73 15.909 13.483 30.845 1.00 0.00 C ATOM 1158 C GLY A 73 16.523 14.612 30.017 1.00 0.00 C ATOM 1159 O GLY A 73 17.566 14.436 29.388 1.00 0.00 O ATOM 0 H GLY A 73 16.663 13.278 32.782 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.455 12.558 30.658 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.880 13.316 30.525 1.00 0.00 H new ATOM 1163 N ASN A 74 15.950 15.813 30.110 1.00 0.00 N ATOM 1164 CA ASN A 74 16.622 17.045 29.704 1.00 0.00 C ATOM 1165 C ASN A 74 17.793 17.377 30.652 1.00 0.00 C ATOM 1166 O ASN A 74 17.858 16.881 31.779 1.00 0.00 O ATOM 1167 CB ASN A 74 15.595 18.192 29.640 1.00 0.00 C ATOM 1168 CG ASN A 74 14.620 18.073 28.481 1.00 0.00 C ATOM 1169 OD1 ASN A 74 14.751 17.257 27.582 1.00 0.00 O ATOM 1170 ND2 ASN A 74 13.636 18.930 28.438 1.00 0.00 N ATOM 0 H ASN A 74 15.006 15.957 30.469 1.00 0.00 H new ATOM 0 HA ASN A 74 17.051 16.909 28.711 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.034 18.218 30.574 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.127 19.140 29.560 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.981 18.916 27.656 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.522 19.614 29.186 1.00 0.00 H new ATOM 1177 N LYS A 75 18.716 18.234 30.193 1.00 0.00 N ATOM 1178 CA LYS A 75 19.742 18.896 31.016 1.00 0.00 C ATOM 1179 C LYS A 75 20.316 20.122 30.303 1.00 0.00 C ATOM 1180 O LYS A 75 20.940 19.986 29.256 1.00 0.00 O ATOM 1181 CB LYS A 75 20.840 17.914 31.464 1.00 0.00 C ATOM 1182 CG LYS A 75 21.486 17.052 30.358 1.00 0.00 C ATOM 1183 CD LYS A 75 22.027 15.741 30.946 1.00 0.00 C ATOM 1184 CE LYS A 75 20.871 14.781 31.273 1.00 0.00 C ATOM 1185 NZ LYS A 75 21.314 13.673 32.150 1.00 0.00 N ATOM 0 H LYS A 75 18.772 18.495 29.208 1.00 0.00 H new ATOM 0 HA LYS A 75 19.257 19.250 31.925 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.628 18.484 31.956 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.415 17.246 32.213 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.751 16.834 29.583 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.296 17.606 29.883 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.708 15.271 30.237 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.601 15.950 31.849 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.066 15.332 31.760 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.463 14.373 30.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.509 13.045 32.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.065 13.133 31.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.680 14.062 33.043 1.00 0.00 H new ATOM 1199 N LEU A 76 20.043 21.311 30.840 1.00 0.00 N ATOM 1200 CA LEU A 76 20.589 22.605 30.409 1.00 0.00 C ATOM 1201 C LEU A 76 20.559 23.579 31.596 1.00 0.00 C ATOM 1202 O LEU A 76 19.494 23.775 32.187 1.00 0.00 O ATOM 1203 CB LEU A 76 19.759 23.243 29.264 1.00 0.00 C ATOM 1204 CG LEU A 76 19.771 22.552 27.885 1.00 0.00 C ATOM 1205 CD1 LEU A 76 18.551 21.645 27.686 1.00 0.00 C ATOM 1206 CD2 LEU A 76 19.720 23.595 26.763 1.00 0.00 C ATOM 0 H LEU A 76 19.403 21.406 31.628 1.00 0.00 H new ATOM 0 HA LEU A 76 21.602 22.425 30.050 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.723 23.304 29.597 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.110 24.266 29.127 1.00 0.00 H new ATOM 0 HG LEU A 76 20.688 21.964 27.850 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.601 21.179 26.702 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.544 20.871 28.454 1.00 0.00 H new ATOM 0 HD13 LEU A 76 17.640 22.239 27.761 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.729 23.091 25.797 1.00 0.00 H new ATOM 0 HD22 LEU A 76 18.808 24.185 26.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 20.586 24.252 26.837 1.00 0.00 H new ATOM 1218 N ARG A 77 21.670 24.262 31.905 1.00 0.00 N ATOM 1219 CA ARG A 77 21.691 25.347 32.898 1.00 0.00 C ATOM 1220 C ARG A 77 22.428 26.588 32.398 1.00 0.00 C ATOM 1221 O ARG A 77 23.371 26.496 31.618 1.00 0.00 O ATOM 1222 CB ARG A 77 22.190 24.814 34.256 1.00 0.00 C ATOM 1223 CG ARG A 77 21.758 25.742 35.401 1.00 0.00 C ATOM 1224 CD ARG A 77 21.874 25.116 36.797 1.00 0.00 C ATOM 1225 NE ARG A 77 20.794 25.635 37.664 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.844 25.981 38.936 1.00 0.00 C ATOM 1227 NH1 ARG A 77 21.919 25.883 39.661 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.773 26.450 39.501 1.00 0.00 N ATOM 0 H ARG A 77 22.577 24.079 31.476 1.00 0.00 H new ATOM 0 HA ARG A 77 20.670 25.696 33.055 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.795 23.812 34.426 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.277 24.730 34.241 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.365 26.646 35.369 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.724 26.046 35.236 1.00 0.00 H new ATOM 0 HD2 ARG A 77 21.808 24.030 36.727 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.846 25.348 37.231 1.00 0.00 H new ATOM 0 HE ARG A 77 19.884 25.740 37.216 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.780 25.524 39.250 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.901 26.166 40.641 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.912 26.546 38.962 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.793 26.723 40.484 1.00 0.00 H new ATOM 1242 N VAL A 78 21.944 27.751 32.828 1.00 0.00 N ATOM 1243 CA VAL A 78 22.367 29.101 32.420 1.00 0.00 C ATOM 1244 C VAL A 78 22.116 30.040 33.598 1.00 0.00 C ATOM 1245 O VAL A 78 21.082 29.907 34.253 1.00 0.00 O ATOM 1246 CB VAL A 78 21.565 29.588 31.189 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.957 31.007 30.757 1.00 0.00 C ATOM 1248 CG2 VAL A 78 21.716 28.658 29.976 1.00 0.00 C ATOM 0 H VAL A 78 21.194 27.784 33.518 1.00 0.00 H new ATOM 0 HA VAL A 78 23.422 29.087 32.145 1.00 0.00 H new ATOM 0 HB VAL A 78 20.526 29.582 31.518 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.365 31.300 29.890 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.769 31.702 31.576 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.016 31.029 30.498 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.132 29.049 29.143 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.766 28.602 29.689 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.357 27.662 30.234 1.00 0.00 H new ATOM 1258 N GLU A 79 23.011 30.995 33.863 1.00 0.00 N ATOM 1259 CA GLU A 79 22.747 32.079 34.822 1.00 0.00 C ATOM 1260 C GLU A 79 23.515 33.369 34.479 1.00 0.00 C ATOM 1261 O GLU A 79 24.502 33.360 33.737 1.00 0.00 O ATOM 1262 CB GLU A 79 23.007 31.627 36.275 1.00 0.00 C ATOM 1263 CG GLU A 79 22.033 32.297 37.254 1.00 0.00 C ATOM 1264 CD GLU A 79 22.313 31.911 38.709 1.00 0.00 C ATOM 1265 OE1 GLU A 79 23.437 32.178 39.188 1.00 0.00 O ATOM 1266 OE2 GLU A 79 21.378 31.427 39.386 1.00 0.00 O ATOM 0 H GLU A 79 23.931 31.042 33.426 1.00 0.00 H new ATOM 0 HA GLU A 79 21.687 32.319 34.739 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.907 30.544 36.344 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.032 31.871 36.555 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.102 33.380 37.148 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.012 32.016 36.996 1.00 0.00 H new ATOM 1273 N VAL A 80 23.038 34.493 35.022 1.00 0.00 N ATOM 1274 CA VAL A 80 23.498 35.850 34.713 1.00 0.00 C ATOM 1275 C VAL A 80 23.803 36.639 36.004 1.00 0.00 C ATOM 1276 O VAL A 80 22.905 37.254 36.589 1.00 0.00 O ATOM 1277 CB VAL A 80 22.510 36.534 33.736 1.00 0.00 C ATOM 1278 CG1 VAL A 80 21.033 36.510 34.150 1.00 0.00 C ATOM 1279 CG2 VAL A 80 22.915 37.982 33.447 1.00 0.00 C ATOM 0 H VAL A 80 22.291 34.482 35.717 1.00 0.00 H new ATOM 0 HA VAL A 80 24.452 35.816 34.186 1.00 0.00 H new ATOM 0 HB VAL A 80 22.586 35.919 32.839 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.435 37.017 33.393 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.699 35.477 34.245 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.915 37.019 35.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 22.199 38.430 32.758 1.00 0.00 H new ATOM 0 HG22 VAL A 80 22.926 38.549 34.378 1.00 0.00 H new ATOM 0 HG23 VAL A 80 23.909 37.999 32.999 1.00 0.00 H new ATOM 1289 N PRO A 81 25.072 36.671 36.465 1.00 0.00 N ATOM 1290 CA PRO A 81 25.519 37.435 37.643 1.00 0.00 C ATOM 1291 C PRO A 81 25.620 38.957 37.388 1.00 0.00 C ATOM 1292 O PRO A 81 26.489 39.648 37.918 1.00 0.00 O ATOM 1293 CB PRO A 81 26.844 36.782 38.053 1.00 0.00 C ATOM 1294 CG PRO A 81 27.431 36.346 36.720 1.00 0.00 C ATOM 1295 CD PRO A 81 26.195 35.901 35.938 1.00 0.00 C ATOM 0 HA PRO A 81 24.791 37.389 38.453 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.497 37.483 38.572 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.688 35.936 38.722 1.00 0.00 H new ATOM 0 HG2 PRO A 81 27.953 37.162 36.221 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.148 35.534 36.840 1.00 0.00 H new ATOM 0 HD2 PRO A 81 26.324 36.084 34.871 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.023 34.832 36.060 1.00 0.00 H new ATOM 1303 N PHE A 82 24.730 39.488 36.549 1.00 0.00 N ATOM 1304 CA PHE A 82 24.515 40.914 36.272 1.00 0.00 C ATOM 1305 C PHE A 82 23.025 41.191 35.983 1.00 0.00 C ATOM 1306 O PHE A 82 22.673 42.070 35.198 1.00 0.00 O ATOM 1307 CB PHE A 82 25.492 41.411 35.188 1.00 0.00 C ATOM 1308 CG PHE A 82 25.529 40.625 33.885 1.00 0.00 C ATOM 1309 CD1 PHE A 82 24.660 40.957 32.828 1.00 0.00 C ATOM 1310 CD2 PHE A 82 26.474 39.597 33.709 1.00 0.00 C ATOM 1311 CE1 PHE A 82 24.747 40.277 31.600 1.00 0.00 C ATOM 1312 CE2 PHE A 82 26.560 38.913 32.484 1.00 0.00 C ATOM 1313 CZ PHE A 82 25.698 39.257 31.426 1.00 0.00 C ATOM 0 H PHE A 82 24.098 38.898 36.008 1.00 0.00 H new ATOM 0 HA PHE A 82 24.749 41.506 37.157 1.00 0.00 H new ATOM 0 HB2 PHE A 82 25.242 42.446 34.954 1.00 0.00 H new ATOM 0 HB3 PHE A 82 26.496 41.414 35.612 1.00 0.00 H new ATOM 0 HD1 PHE A 82 23.924 41.736 32.961 1.00 0.00 H new ATOM 0 HD2 PHE A 82 27.137 39.332 34.520 1.00 0.00 H new ATOM 0 HE1 PHE A 82 24.082 40.539 30.790 1.00 0.00 H new ATOM 0 HE2 PHE A 82 27.287 38.124 32.355 1.00 0.00 H new ATOM 0 HZ PHE A 82 25.767 38.738 30.482 1.00 0.00 H new ATOM 1323 N ASN A 83 22.133 40.418 36.620 1.00 0.00 N ATOM 1324 CA ASN A 83 20.668 40.513 36.494 1.00 0.00 C ATOM 1325 C ASN A 83 20.105 41.906 36.850 1.00 0.00 C ATOM 1326 O ASN A 83 19.074 42.305 36.306 1.00 0.00 O ATOM 1327 CB ASN A 83 20.011 39.391 37.325 1.00 0.00 C ATOM 1328 CG ASN A 83 20.546 39.261 38.743 1.00 0.00 C ATOM 1329 OD1 ASN A 83 20.121 39.940 39.667 1.00 0.00 O ATOM 1330 ND2 ASN A 83 21.518 38.400 38.950 1.00 0.00 N ATOM 0 H ASN A 83 22.422 39.680 37.262 1.00 0.00 H new ATOM 0 HA ASN A 83 20.417 40.377 35.442 1.00 0.00 H new ATOM 0 HB2 ASN A 83 18.937 39.571 37.370 1.00 0.00 H new ATOM 0 HB3 ASN A 83 20.153 38.442 36.808 1.00 0.00 H new ATOM 0 HD21 ASN A 83 21.919 38.298 39.882 1.00 0.00 H new ATOM 0 HD22 ASN A 83 21.871 37.834 38.178 1.00 0.00 H new ATOM 1337 N ALA A 84 20.821 42.668 37.679 1.00 0.00 N ATOM 1338 CA ALA A 84 20.890 44.124 37.577 1.00 0.00 C ATOM 1339 C ALA A 84 22.333 44.513 37.199 1.00 0.00 C ATOM 1340 O ALA A 84 23.286 43.979 37.773 1.00 0.00 O ATOM 1341 CB ALA A 84 20.446 44.750 38.903 1.00 0.00 C ATOM 0 H ALA A 84 21.374 42.287 38.447 1.00 0.00 H new ATOM 0 HA ALA A 84 20.219 44.500 36.804 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.497 45.836 38.828 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.421 44.449 39.122 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.103 44.410 39.704 1.00 0.00 H new ATOM 1347 N ARG A 85 22.499 45.432 36.235 1.00 0.00 N ATOM 1348 CA ARG A 85 23.820 45.829 35.701 1.00 0.00 C ATOM 1349 C ARG A 85 24.736 46.434 36.776 1.00 0.00 C ATOM 1350 O ARG A 85 25.930 46.155 36.783 1.00 0.00 O ATOM 1351 CB ARG A 85 23.600 46.802 34.529 1.00 0.00 C ATOM 1352 CG ARG A 85 24.901 47.211 33.799 1.00 0.00 C ATOM 1353 CD ARG A 85 24.937 48.698 33.433 1.00 0.00 C ATOM 1354 NE ARG A 85 24.854 49.556 34.632 1.00 0.00 N ATOM 1355 CZ ARG A 85 25.027 50.862 34.676 1.00 0.00 C ATOM 1356 NH1 ARG A 85 25.599 51.528 33.716 1.00 0.00 N ATOM 1357 NH2 ARG A 85 24.605 51.525 35.709 1.00 0.00 N ATOM 0 H ARG A 85 21.720 45.925 35.799 1.00 0.00 H new ATOM 0 HA ARG A 85 24.338 44.937 35.349 1.00 0.00 H new ATOM 0 HB2 ARG A 85 22.922 46.342 33.811 1.00 0.00 H new ATOM 0 HB3 ARG A 85 23.108 47.700 34.903 1.00 0.00 H new ATOM 0 HG2 ARG A 85 25.756 46.977 34.433 1.00 0.00 H new ATOM 0 HG3 ARG A 85 25.005 46.616 32.892 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.857 48.918 32.891 1.00 0.00 H new ATOM 0 HD3 ARG A 85 24.109 48.928 32.762 1.00 0.00 H new ATOM 0 HE ARG A 85 24.641 49.091 35.515 1.00 0.00 H new ATOM 0 HH11 ARG A 85 25.935 51.039 32.886 1.00 0.00 H new ATOM 0 HH12 ARG A 85 25.712 52.539 33.793 1.00 0.00 H new ATOM 0 HH21 ARG A 85 24.145 51.035 36.476 1.00 0.00 H new ATOM 0 HH22 ARG A 85 24.734 52.536 35.754 1.00 0.00 H new ATOM 1371 N GLU A 86 24.166 47.237 37.679 1.00 0.00 N ATOM 1372 CA GLU A 86 24.783 47.633 38.957 1.00 0.00 C ATOM 1373 C GLU A 86 24.129 46.864 40.102 1.00 0.00 C ATOM 1374 O GLU A 86 24.795 46.003 40.714 1.00 0.00 O ATOM 1375 CB GLU A 86 24.727 49.165 39.127 1.00 0.00 C ATOM 1376 CG GLU A 86 25.429 49.675 40.403 1.00 0.00 C ATOM 1377 CD GLU A 86 24.458 50.058 41.536 1.00 0.00 C ATOM 1378 OE1 GLU A 86 23.661 51.012 41.377 1.00 0.00 O ATOM 1379 OE2 GLU A 86 24.494 49.428 42.624 1.00 0.00 O ATOM 1380 OXT GLU A 86 22.911 47.002 40.332 1.00 0.00 O ATOM 0 H GLU A 86 23.240 47.642 37.542 1.00 0.00 H new ATOM 0 HA GLU A 86 25.840 47.369 38.965 1.00 0.00 H new ATOM 0 HB2 GLU A 86 25.187 49.635 38.258 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.684 49.481 39.146 1.00 0.00 H new ATOM 0 HG2 GLU A 86 26.109 48.904 40.765 1.00 0.00 H new ATOM 0 HG3 GLU A 86 26.037 50.543 40.149 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 22.895 23.847 43.250 1.00 0.00 O ATOM 1389 C5' A B 101 24.271 24.135 43.054 1.00 0.00 C ATOM 1390 C4' A B 101 24.499 24.757 41.669 1.00 0.00 C ATOM 1391 O4' A B 101 24.052 26.114 41.603 1.00 0.00 O ATOM 1392 C3' A B 101 25.974 24.824 41.280 1.00 0.00 C ATOM 1393 O3' A B 101 25.922 24.920 39.865 1.00 0.00 O ATOM 1394 C2' A B 101 26.383 26.128 41.979 1.00 0.00 C ATOM 1395 O2' A B 101 27.598 26.689 41.515 1.00 0.00 O ATOM 1396 C1' A B 101 25.182 26.987 41.614 1.00 0.00 C ATOM 1397 N9 A B 101 25.010 28.177 42.484 1.00 0.00 N ATOM 1398 C8 A B 101 25.422 29.466 42.221 1.00 0.00 C ATOM 1399 N7 A B 101 25.007 30.357 43.082 1.00 0.00 N ATOM 1400 C5 A B 101 24.233 29.596 43.968 1.00 0.00 C ATOM 1401 C6 A B 101 23.433 29.895 45.096 1.00 0.00 C ATOM 1402 N6 A B 101 23.239 31.112 45.562 1.00 0.00 N ATOM 1403 N1 A B 101 22.771 28.944 45.760 1.00 0.00 N ATOM 1404 C2 A B 101 22.908 27.697 45.329 1.00 0.00 C ATOM 1405 N3 A B 101 23.587 27.265 44.277 1.00 0.00 N ATOM 1406 C4 A B 101 24.246 28.272 43.628 1.00 0.00 C ATOM 0 H5' A B 101 24.857 23.221 43.149 1.00 0.00 H new ATOM 0 H5'' A B 101 24.619 24.819 43.828 1.00 0.00 H new ATOM 0 H4' A B 101 23.938 24.104 41.001 1.00 0.00 H new ATOM 0 H3' A B 101 26.655 24.016 41.546 1.00 0.00 H new ATOM 0 H2' A B 101 26.589 26.012 43.043 1.00 0.00 H new ATOM 0 HO2' A B 101 27.786 27.515 42.008 1.00 0.00 H new ATOM 0 HO5' A B 101 22.767 23.450 44.137 1.00 0.00 H new ATOM 0 H1' A B 101 25.323 27.436 40.631 1.00 0.00 H new ATOM 0 H8 A B 101 26.039 29.719 41.371 1.00 0.00 H new ATOM 0 H61 A B 101 22.649 31.256 46.381 1.00 0.00 H new ATOM 0 H62 A B 101 23.679 31.910 45.103 1.00 0.00 H new ATOM 0 H2 A B 101 22.402 26.939 45.909 1.00 0.00 H new ATOM 1419 P C B 102 26.796 24.004 38.916 1.00 0.00 P ATOM 1420 OP1 C B 102 26.160 24.024 37.582 1.00 0.00 O ATOM 1421 OP2 C B 102 27.059 22.721 39.605 1.00 0.00 O ATOM 1422 O5' C B 102 28.146 24.840 38.835 1.00 0.00 O ATOM 1423 C5' C B 102 28.111 26.150 38.297 1.00 0.00 C ATOM 1424 C4' C B 102 29.485 26.594 37.803 1.00 0.00 C ATOM 1425 O4' C B 102 29.468 27.948 37.355 1.00 0.00 O ATOM 1426 C3' C B 102 30.540 26.543 38.894 1.00 0.00 C ATOM 1427 O3' C B 102 31.752 26.378 38.174 1.00 0.00 O ATOM 1428 C2' C B 102 30.295 27.902 39.569 1.00 0.00 C ATOM 1429 O2' C B 102 31.393 28.391 40.322 1.00 0.00 O ATOM 1430 C1' C B 102 29.907 28.818 38.399 1.00 0.00 C ATOM 1431 N1 C B 102 28.843 29.807 38.758 1.00 0.00 N ATOM 1432 C2 C B 102 29.208 30.999 39.407 1.00 0.00 C ATOM 1433 O2 C B 102 30.379 31.256 39.667 1.00 0.00 O ATOM 1434 N3 C B 102 28.257 31.909 39.749 1.00 0.00 N ATOM 1435 C4 C B 102 27.005 31.682 39.411 1.00 0.00 C ATOM 1436 N4 C B 102 26.121 32.569 39.744 1.00 0.00 N ATOM 1437 C5 C B 102 26.585 30.524 38.707 1.00 0.00 C ATOM 1438 C6 C B 102 27.533 29.611 38.385 1.00 0.00 C ATOM 0 H5' C B 102 27.755 26.846 39.057 1.00 0.00 H new ATOM 0 H5'' C B 102 27.399 26.186 37.473 1.00 0.00 H new ATOM 0 H4' C B 102 29.726 25.902 36.996 1.00 0.00 H new ATOM 0 H3' C B 102 30.540 25.765 39.657 1.00 0.00 H new ATOM 0 H2' C B 102 29.520 27.837 40.332 1.00 0.00 H new ATOM 0 HO2' C B 102 32.229 28.052 39.939 1.00 0.00 H new ATOM 0 H1' C B 102 30.761 29.425 38.097 1.00 0.00 H new ATOM 0 H41 C B 102 25.141 32.429 39.500 1.00 0.00 H new ATOM 0 H42 C B 102 26.406 33.407 40.250 1.00 0.00 H new ATOM 0 H5 C B 102 25.550 30.376 38.438 1.00 0.00 H new ATOM 0 H6 C B 102 27.259 28.724 37.832 1.00 0.00 H new ATOM 1450 P A B 103 33.053 25.786 38.839 1.00 0.00 P ATOM 1451 OP1 A B 103 33.967 25.313 37.784 1.00 0.00 O ATOM 1452 OP2 A B 103 32.686 24.907 39.967 1.00 0.00 O ATOM 1453 O5' A B 103 33.603 27.125 39.475 1.00 0.00 O ATOM 1454 C5' A B 103 34.978 27.372 39.595 1.00 0.00 C ATOM 1455 C4' A B 103 35.604 27.892 38.289 1.00 0.00 C ATOM 1456 O4' A B 103 34.831 28.906 37.641 1.00 0.00 O ATOM 1457 C3' A B 103 36.937 28.534 38.656 1.00 0.00 C ATOM 1458 O3' A B 103 37.823 28.389 37.546 1.00 0.00 O ATOM 1459 C2' A B 103 36.420 29.956 38.944 1.00 0.00 C ATOM 1460 O2' A B 103 37.376 30.982 39.140 1.00 0.00 O ATOM 1461 C1' A B 103 35.521 30.144 37.730 1.00 0.00 C ATOM 1462 N9 A B 103 34.525 31.250 37.752 1.00 0.00 N ATOM 1463 C8 A B 103 33.630 31.536 36.753 1.00 0.00 C ATOM 1464 N7 A B 103 32.790 32.500 37.023 1.00 0.00 N ATOM 1465 C5 A B 103 33.115 32.825 38.351 1.00 0.00 C ATOM 1466 C6 A B 103 32.575 33.703 39.326 1.00 0.00 C ATOM 1467 N6 A B 103 31.469 34.405 39.189 1.00 0.00 N ATOM 1468 N1 A B 103 33.200 33.923 40.479 1.00 0.00 N ATOM 1469 C2 A B 103 34.303 33.233 40.722 1.00 0.00 C ATOM 1470 N3 A B 103 34.907 32.348 39.935 1.00 0.00 N ATOM 1471 C4 A B 103 34.237 32.151 38.763 1.00 0.00 C ATOM 0 H5' A B 103 35.483 26.454 39.895 1.00 0.00 H new ATOM 0 H5'' A B 103 35.144 28.101 40.388 1.00 0.00 H new ATOM 0 H4' A B 103 35.682 27.044 37.608 1.00 0.00 H new ATOM 0 H3' A B 103 37.524 28.135 39.484 1.00 0.00 H new ATOM 0 H2' A B 103 35.937 30.042 39.917 1.00 0.00 H new ATOM 0 HO2' A B 103 36.927 31.790 39.464 1.00 0.00 H new ATOM 0 H1' A B 103 36.154 30.427 36.889 1.00 0.00 H new ATOM 0 H8 A B 103 33.620 31.004 35.813 1.00 0.00 H new ATOM 0 H61 A B 103 31.154 35.013 39.945 1.00 0.00 H new ATOM 0 H62 A B 103 30.927 34.340 38.327 1.00 0.00 H new ATOM 0 H2 A B 103 34.771 33.411 41.679 1.00 0.00 H new ATOM 1483 P U B 104 39.367 28.143 37.799 1.00 0.00 P ATOM 1484 OP1 U B 104 40.019 27.778 36.519 1.00 0.00 O ATOM 1485 OP2 U B 104 39.482 27.215 38.941 1.00 0.00 O ATOM 1486 O5' U B 104 39.827 29.584 38.287 1.00 0.00 O ATOM 1487 C5' U B 104 40.305 30.608 37.430 1.00 0.00 C ATOM 1488 C4' U B 104 39.590 30.813 36.078 1.00 0.00 C ATOM 1489 O4' U B 104 38.200 31.145 36.069 1.00 0.00 O ATOM 1490 C3' U B 104 40.247 31.985 35.368 1.00 0.00 C ATOM 1491 O3' U B 104 41.519 31.625 34.869 1.00 0.00 O ATOM 1492 C2' U B 104 39.220 32.325 34.281 1.00 0.00 C ATOM 1493 O2' U B 104 39.564 31.803 33.013 1.00 0.00 O ATOM 1494 C1' U B 104 37.954 31.614 34.749 1.00 0.00 C ATOM 1495 N1 U B 104 36.775 32.477 34.465 1.00 0.00 N ATOM 1496 C2 U B 104 36.569 33.650 35.206 1.00 0.00 C ATOM 1497 O2 U B 104 36.895 33.801 36.379 1.00 0.00 O ATOM 1498 N3 U B 104 35.953 34.693 34.554 1.00 0.00 N ATOM 1499 C4 U B 104 35.449 34.651 33.280 1.00 0.00 C ATOM 1500 O4 U B 104 34.998 35.666 32.778 1.00 0.00 O ATOM 1501 C5 U B 104 35.502 33.352 32.659 1.00 0.00 C ATOM 1502 C6 U B 104 36.125 32.304 33.261 1.00 0.00 C ATOM 0 H5' U B 104 41.357 30.408 37.225 1.00 0.00 H new ATOM 0 H5'' U B 104 40.261 31.550 37.977 1.00 0.00 H new ATOM 0 H4' U B 104 39.677 29.827 35.622 1.00 0.00 H new ATOM 0 H3' U B 104 40.463 32.844 36.003 1.00 0.00 H new ATOM 0 H2' U B 104 39.135 33.405 34.160 1.00 0.00 H new ATOM 0 HO2' U B 104 40.498 32.022 32.811 1.00 0.00 H new ATOM 0 H1' U B 104 37.687 30.708 34.204 1.00 0.00 H new ATOM 0 H3 U B 104 35.864 35.573 35.062 1.00 0.00 H new ATOM 0 H5 U B 104 35.037 33.208 31.695 1.00 0.00 H new ATOM 0 H6 U B 104 36.111 31.330 32.794 1.00 0.00 H new ATOM 1513 P C B 105 42.483 32.716 34.253 1.00 0.00 P ATOM 1514 OP1 C B 105 42.801 33.691 35.313 1.00 0.00 O ATOM 1515 OP2 C B 105 41.844 33.172 32.999 1.00 0.00 O ATOM 1516 O5' C B 105 43.756 31.851 33.841 1.00 0.00 O ATOM 1517 C5' C B 105 44.753 31.496 34.786 1.00 0.00 C ATOM 1518 C4' C B 105 45.991 32.405 34.708 1.00 0.00 C ATOM 1519 O4' C B 105 45.723 33.631 34.051 1.00 0.00 O ATOM 1520 C3' C B 105 46.563 32.759 36.084 1.00 0.00 C ATOM 1521 O3' C B 105 47.544 31.817 36.489 1.00 0.00 O ATOM 1522 C2' C B 105 47.133 34.176 35.862 1.00 0.00 C ATOM 1523 O2' C B 105 48.547 34.290 35.972 1.00 0.00 O ATOM 1524 C1' C B 105 46.737 34.535 34.425 1.00 0.00 C ATOM 1525 N1 C B 105 46.279 35.947 34.353 1.00 0.00 N ATOM 1526 C2 C B 105 47.252 36.952 34.381 1.00 0.00 C ATOM 1527 O2 C B 105 48.451 36.658 34.399 1.00 0.00 O ATOM 1528 N3 C B 105 46.879 38.254 34.425 1.00 0.00 N ATOM 1529 C4 C B 105 45.598 38.551 34.425 1.00 0.00 C ATOM 1530 N4 C B 105 45.310 39.812 34.547 1.00 0.00 N ATOM 1531 C5 C B 105 44.566 37.577 34.389 1.00 0.00 C ATOM 1532 C6 C B 105 44.944 36.275 34.351 1.00 0.00 C ATOM 0 H5' C B 105 45.055 30.462 34.619 1.00 0.00 H new ATOM 0 H5'' C B 105 44.332 31.547 35.790 1.00 0.00 H new ATOM 0 H4' C B 105 46.714 31.816 34.143 1.00 0.00 H new ATOM 0 H3' C B 105 45.830 32.734 36.891 1.00 0.00 H new ATOM 0 H2' C B 105 46.736 34.830 36.638 1.00 0.00 H new ATOM 0 HO2' C B 105 48.850 35.085 35.486 1.00 0.00 H new ATOM 0 H1' C B 105 47.582 34.453 33.741 1.00 0.00 H new ATOM 0 H41 C B 105 44.336 40.114 34.555 1.00 0.00 H new ATOM 0 H42 C B 105 46.058 40.500 34.635 1.00 0.00 H new ATOM 0 H5 C B 105 43.524 37.861 34.392 1.00 0.00 H new ATOM 0 H6 C B 105 44.196 35.496 34.319 1.00 0.00 H new ATOM 1544 P A B 106 47.811 31.499 38.020 1.00 0.00 P ATOM 1545 OP1 A B 106 48.992 30.613 38.011 1.00 0.00 O ATOM 1546 OP2 A B 106 46.554 30.929 38.543 1.00 0.00 O ATOM 1547 O5' A B 106 48.186 32.863 38.791 1.00 0.00 O ATOM 1548 C5' A B 106 47.190 33.753 39.299 1.00 0.00 C ATOM 1549 C4' A B 106 47.800 35.087 39.776 1.00 0.00 C ATOM 1550 O4' A B 106 48.644 35.688 38.801 1.00 0.00 O ATOM 1551 C3' A B 106 46.773 36.196 40.031 1.00 0.00 C ATOM 1552 O3' A B 106 46.040 36.088 41.243 1.00 0.00 O ATOM 1553 C2' A B 106 47.629 37.481 39.981 1.00 0.00 C ATOM 1554 O2' A B 106 48.022 37.944 41.267 1.00 0.00 O ATOM 1555 C1' A B 106 48.883 37.020 39.221 1.00 0.00 C ATOM 1556 N9 A B 106 49.276 37.892 38.089 1.00 0.00 N ATOM 1557 C8 A B 106 48.517 38.700 37.275 1.00 0.00 C ATOM 1558 N7 A B 106 49.208 39.424 36.435 1.00 0.00 N ATOM 1559 C5 A B 106 50.531 39.033 36.693 1.00 0.00 C ATOM 1560 C6 A B 106 51.803 39.350 36.152 1.00 0.00 C ATOM 1561 N6 A B 106 52.022 40.152 35.127 1.00 0.00 N ATOM 1562 N1 A B 106 52.920 38.809 36.644 1.00 0.00 N ATOM 1563 C2 A B 106 52.797 37.946 37.648 1.00 0.00 C ATOM 1564 N3 A B 106 51.681 37.534 38.244 1.00 0.00 N ATOM 1565 C4 A B 106 50.576 38.118 37.708 1.00 0.00 C ATOM 0 H5' A B 106 46.666 33.277 40.128 1.00 0.00 H new ATOM 0 H5'' A B 106 46.449 33.949 38.524 1.00 0.00 H new ATOM 0 H4' A B 106 48.318 34.779 40.684 1.00 0.00 H new ATOM 0 H3' A B 106 45.973 36.160 39.292 1.00 0.00 H new ATOM 0 H2' A B 106 47.078 38.306 39.529 1.00 0.00 H new ATOM 0 HO2' A B 106 47.464 37.519 41.952 1.00 0.00 H new ATOM 0 HO3' A B 106 45.415 36.839 41.315 1.00 0.00 H new ATOM 0 H1' A B 106 49.738 37.082 39.894 1.00 0.00 H new ATOM 0 H8 A B 106 47.439 38.733 37.326 1.00 0.00 H new ATOM 0 H61 A B 106 52.975 40.321 34.807 1.00 0.00 H new ATOM 0 H62 A B 106 51.238 40.602 34.655 1.00 0.00 H new ATOM 0 H2 A B 106 53.718 37.527 38.027 1.00 0.00 H new TER 1578 A B 106