USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 180:sc= 0.734 USER MOD Set 1.2: A -1 SER OG : rot -150:sc= 0.651 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 1 MET CE :methyl 151:sc=-0.00958 (180deg=-0.485) USER MOD Single : A 8 SER OG : rot 43:sc= 0.374 USER MOD Single : A -2 GLY N :NH3+ -115:sc= 0.0604 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 20 SER OG : rot -96:sc= 1.82 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.1) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.15) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 44 SER OG : rot -34:sc= 0.0334 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 0.852 (180deg=0.599) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0214 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.474 X(o=0.47,f=0) USER MOD Single : B 101 A O2' : rot -31:sc= 1.2 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -179:sc= 0.797 USER MOD Single : B 103 A O2' : rot 79:sc= 0.14 USER MOD Single : B 104 U O2' : rot -64:sc= 0.204 USER MOD Single : B 105 C O2' : rot -19:sc= 0.0886 USER MOD Single : B 106 A O2' : rot -130:sc= 0.25 USER MOD Single : B 106 A O3' : rot 126:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 31.718 37.986 44.840 1.00 0.00 N ATOM 2 CA GLY A -2 33.189 38.148 44.889 1.00 0.00 C ATOM 3 C GLY A -2 33.845 37.776 43.567 1.00 0.00 C ATOM 4 O GLY A -2 33.245 37.089 42.737 1.00 0.00 O ATOM 0 H1 GLY A -2 31.263 38.915 44.944 1.00 0.00 H new ATOM 0 H2 GLY A -2 31.445 37.567 43.928 1.00 0.00 H new ATOM 0 H3 GLY A -2 31.412 37.362 45.613 1.00 0.00 H new ATOM 0 HA2 GLY A -2 33.432 39.181 45.137 1.00 0.00 H new ATOM 0 HA3 GLY A -2 33.597 37.525 45.685 1.00 0.00 H new ATOM 10 N SER A -1 35.087 38.221 43.357 1.00 0.00 N ATOM 11 CA SER A -1 35.877 37.960 42.139 1.00 0.00 C ATOM 12 C SER A -1 37.392 37.981 42.409 1.00 0.00 C ATOM 13 O SER A -1 37.866 38.624 43.351 1.00 0.00 O ATOM 14 CB SER A -1 35.498 38.960 41.033 1.00 0.00 C ATOM 15 OG SER A -1 35.773 40.297 41.414 1.00 0.00 O ATOM 0 H SER A -1 35.588 38.787 44.042 1.00 0.00 H new ATOM 0 HA SER A -1 35.634 36.953 41.801 1.00 0.00 H new ATOM 0 HB2 SER A -1 36.048 38.721 40.123 1.00 0.00 H new ATOM 0 HB3 SER A -1 34.438 38.859 40.800 1.00 0.00 H new ATOM 0 HG SER A -1 35.143 40.901 40.967 1.00 0.00 H new ATOM 21 N HIS A 0 38.152 37.254 41.578 1.00 0.00 N ATOM 22 CA HIS A 0 39.587 36.962 41.780 1.00 0.00 C ATOM 23 C HIS A 0 40.466 37.218 40.540 1.00 0.00 C ATOM 24 O HIS A 0 41.669 36.941 40.563 1.00 0.00 O ATOM 25 CB HIS A 0 39.739 35.519 42.301 1.00 0.00 C ATOM 26 CG HIS A 0 38.936 35.217 43.547 1.00 0.00 C ATOM 27 ND1 HIS A 0 37.590 34.833 43.585 1.00 0.00 N ATOM 28 CD2 HIS A 0 39.397 35.323 44.827 1.00 0.00 C ATOM 29 CE1 HIS A 0 37.277 34.711 44.887 1.00 0.00 C ATOM 30 NE2 HIS A 0 38.344 34.999 45.655 1.00 0.00 N ATOM 0 H HIS A 0 37.780 36.840 40.723 1.00 0.00 H new ATOM 0 HA HIS A 0 39.959 37.667 42.523 1.00 0.00 H new ATOM 0 HB2 HIS A 0 39.439 34.828 41.514 1.00 0.00 H new ATOM 0 HB3 HIS A 0 40.792 35.329 42.507 1.00 0.00 H new ATOM 0 HD2 HIS A 0 40.394 35.606 45.132 1.00 0.00 H new ATOM 0 HE1 HIS A 0 36.307 34.423 45.263 1.00 0.00 H new ATOM 0 HE2 HIS A 0 38.369 34.981 46.675 1.00 0.00 H new ATOM 38 N MET A 1 39.890 37.751 39.455 1.00 0.00 N ATOM 39 CA MET A 1 40.629 38.183 38.261 1.00 0.00 C ATOM 40 C MET A 1 41.274 39.567 38.471 1.00 0.00 C ATOM 41 O MET A 1 40.845 40.335 39.337 1.00 0.00 O ATOM 42 CB MET A 1 39.703 38.135 37.032 1.00 0.00 C ATOM 43 CG MET A 1 40.486 38.074 35.712 1.00 0.00 C ATOM 44 SD MET A 1 39.737 37.040 34.418 1.00 0.00 S ATOM 45 CE MET A 1 38.405 38.126 33.848 1.00 0.00 C ATOM 0 H MET A 1 38.883 37.896 39.380 1.00 0.00 H new ATOM 0 HA MET A 1 41.454 37.494 38.080 1.00 0.00 H new ATOM 0 HB2 MET A 1 39.051 37.265 37.105 1.00 0.00 H new ATOM 0 HB3 MET A 1 39.060 39.015 37.030 1.00 0.00 H new ATOM 0 HG2 MET A 1 40.597 39.087 35.326 1.00 0.00 H new ATOM 0 HG3 MET A 1 41.489 37.700 35.919 1.00 0.00 H new ATOM 0 HE1 MET A 1 38.193 37.922 32.799 1.00 0.00 H new ATOM 0 HE2 MET A 1 37.509 37.945 34.441 1.00 0.00 H new ATOM 0 HE3 MET A 1 38.710 39.166 33.961 1.00 0.00 H new ATOM 55 N VAL A 2 42.302 39.906 37.681 1.00 0.00 N ATOM 56 CA VAL A 2 43.093 41.151 37.808 1.00 0.00 C ATOM 57 C VAL A 2 42.350 42.363 37.208 1.00 0.00 C ATOM 58 O VAL A 2 42.790 42.974 36.234 1.00 0.00 O ATOM 59 CB VAL A 2 44.527 40.966 37.249 1.00 0.00 C ATOM 60 CG1 VAL A 2 45.458 42.113 37.673 1.00 0.00 C ATOM 61 CG2 VAL A 2 45.185 39.667 37.748 1.00 0.00 C ATOM 0 H VAL A 2 42.619 39.312 36.915 1.00 0.00 H new ATOM 0 HA VAL A 2 43.208 41.373 38.869 1.00 0.00 H new ATOM 0 HB VAL A 2 44.405 40.942 36.166 1.00 0.00 H new ATOM 0 HG11 VAL A 2 46.453 41.945 37.261 1.00 0.00 H new ATOM 0 HG12 VAL A 2 45.065 43.058 37.299 1.00 0.00 H new ATOM 0 HG13 VAL A 2 45.518 42.150 38.761 1.00 0.00 H new ATOM 0 HG21 VAL A 2 46.188 39.583 37.329 1.00 0.00 H new ATOM 0 HG22 VAL A 2 45.247 39.685 38.836 1.00 0.00 H new ATOM 0 HG23 VAL A 2 44.587 38.812 37.433 1.00 0.00 H new ATOM 71 N ILE A 3 41.184 42.693 37.777 1.00 0.00 N ATOM 72 CA ILE A 3 40.305 43.817 37.399 1.00 0.00 C ATOM 73 C ILE A 3 39.844 44.538 38.678 1.00 0.00 C ATOM 74 O ILE A 3 39.169 43.945 39.522 1.00 0.00 O ATOM 75 CB ILE A 3 39.099 43.323 36.559 1.00 0.00 C ATOM 76 CG1 ILE A 3 39.484 42.575 35.259 1.00 0.00 C ATOM 77 CG2 ILE A 3 38.148 44.490 36.234 1.00 0.00 C ATOM 78 CD1 ILE A 3 40.127 43.434 34.161 1.00 0.00 C ATOM 0 H ILE A 3 40.804 42.156 38.557 1.00 0.00 H new ATOM 0 HA ILE A 3 40.858 44.518 36.774 1.00 0.00 H new ATOM 0 HB ILE A 3 38.594 42.590 37.188 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.173 41.770 35.515 1.00 0.00 H new ATOM 0 HG13 ILE A 3 38.587 42.109 34.851 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.309 44.122 35.644 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.776 44.926 37.161 1.00 0.00 H new ATOM 0 HG23 ILE A 3 38.685 45.250 35.666 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.356 42.809 33.297 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.436 44.223 33.865 1.00 0.00 H new ATOM 0 HD13 ILE A 3 41.047 43.880 34.540 1.00 0.00 H new ATOM 90 N ARG A 4 40.204 45.822 38.831 1.00 0.00 N ATOM 91 CA ARG A 4 40.009 46.598 40.076 1.00 0.00 C ATOM 92 C ARG A 4 38.532 46.823 40.436 1.00 0.00 C ATOM 93 O ARG A 4 38.165 46.761 41.608 1.00 0.00 O ATOM 94 CB ARG A 4 40.759 47.941 39.935 1.00 0.00 C ATOM 95 CG ARG A 4 40.927 48.749 41.237 1.00 0.00 C ATOM 96 CD ARG A 4 42.156 48.358 42.076 1.00 0.00 C ATOM 97 NE ARG A 4 42.094 46.983 42.616 1.00 0.00 N ATOM 98 CZ ARG A 4 41.482 46.578 43.717 1.00 0.00 C ATOM 99 NH1 ARG A 4 40.796 47.388 44.475 1.00 0.00 N ATOM 100 NH2 ARG A 4 41.551 45.330 44.084 1.00 0.00 N ATOM 0 H ARG A 4 40.645 46.362 38.086 1.00 0.00 H new ATOM 0 HA ARG A 4 40.416 46.016 40.903 1.00 0.00 H new ATOM 0 HB2 ARG A 4 41.748 47.743 39.521 1.00 0.00 H new ATOM 0 HB3 ARG A 4 40.228 48.559 39.211 1.00 0.00 H new ATOM 0 HG2 ARG A 4 40.996 49.808 40.987 1.00 0.00 H new ATOM 0 HG3 ARG A 4 40.032 48.623 41.846 1.00 0.00 H new ATOM 0 HD2 ARG A 4 43.051 48.458 41.462 1.00 0.00 H new ATOM 0 HD3 ARG A 4 42.258 49.060 42.904 1.00 0.00 H new ATOM 0 HE ARG A 4 42.578 46.264 42.078 1.00 0.00 H new ATOM 0 HH11 ARG A 4 40.716 48.374 44.227 1.00 0.00 H new ATOM 0 HH12 ARG A 4 40.339 47.035 45.316 1.00 0.00 H new ATOM 0 HH21 ARG A 4 42.078 44.662 43.522 1.00 0.00 H new ATOM 0 HH22 ARG A 4 41.078 45.021 44.933 1.00 0.00 H new ATOM 114 N GLU A 5 37.692 47.064 39.432 1.00 0.00 N ATOM 115 CA GLU A 5 36.254 47.369 39.580 1.00 0.00 C ATOM 116 C GLU A 5 35.326 46.134 39.471 1.00 0.00 C ATOM 117 O GLU A 5 34.106 46.285 39.367 1.00 0.00 O ATOM 118 CB GLU A 5 35.870 48.497 38.600 1.00 0.00 C ATOM 119 CG GLU A 5 35.918 48.097 37.115 1.00 0.00 C ATOM 120 CD GLU A 5 35.640 49.279 36.162 1.00 0.00 C ATOM 121 OE1 GLU A 5 34.964 50.266 36.547 1.00 0.00 O ATOM 122 OE2 GLU A 5 36.088 49.229 34.988 1.00 0.00 O ATOM 0 H GLU A 5 37.994 47.054 38.458 1.00 0.00 H new ATOM 0 HA GLU A 5 36.095 47.715 40.601 1.00 0.00 H new ATOM 0 HB2 GLU A 5 34.863 48.841 38.838 1.00 0.00 H new ATOM 0 HB3 GLU A 5 36.541 49.342 38.757 1.00 0.00 H new ATOM 0 HG2 GLU A 5 36.899 47.678 36.889 1.00 0.00 H new ATOM 0 HG3 GLU A 5 35.186 47.311 36.933 1.00 0.00 H new ATOM 129 N SER A 6 35.890 44.918 39.501 1.00 0.00 N ATOM 130 CA SER A 6 35.230 43.648 39.137 1.00 0.00 C ATOM 131 C SER A 6 34.770 43.587 37.664 1.00 0.00 C ATOM 132 O SER A 6 34.945 44.539 36.897 1.00 0.00 O ATOM 133 CB SER A 6 34.124 43.292 40.142 1.00 0.00 C ATOM 134 OG SER A 6 33.765 41.922 40.024 1.00 0.00 O ATOM 0 H SER A 6 36.859 44.783 39.791 1.00 0.00 H new ATOM 0 HA SER A 6 35.987 42.867 39.207 1.00 0.00 H new ATOM 0 HB2 SER A 6 34.466 43.498 41.156 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.250 43.919 39.967 1.00 0.00 H new ATOM 0 HG SER A 6 33.061 41.711 40.672 1.00 0.00 H new ATOM 140 N VAL A 7 34.256 42.435 37.223 1.00 0.00 N ATOM 141 CA VAL A 7 34.190 42.038 35.806 1.00 0.00 C ATOM 142 C VAL A 7 32.863 41.362 35.427 1.00 0.00 C ATOM 143 O VAL A 7 32.345 40.516 36.155 1.00 0.00 O ATOM 144 CB VAL A 7 35.424 41.174 35.463 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.490 39.858 36.255 1.00 0.00 C ATOM 146 CG2 VAL A 7 35.511 40.850 33.967 1.00 0.00 C ATOM 0 H VAL A 7 33.864 41.734 37.852 1.00 0.00 H new ATOM 0 HA VAL A 7 34.215 42.941 35.196 1.00 0.00 H new ATOM 0 HB VAL A 7 36.274 41.792 35.753 1.00 0.00 H new ATOM 0 HG11 VAL A 7 36.381 39.302 35.964 1.00 0.00 H new ATOM 0 HG12 VAL A 7 35.532 40.077 37.322 1.00 0.00 H new ATOM 0 HG13 VAL A 7 34.604 39.260 36.042 1.00 0.00 H new ATOM 0 HG21 VAL A 7 36.395 40.241 33.777 1.00 0.00 H new ATOM 0 HG22 VAL A 7 34.620 40.301 33.661 1.00 0.00 H new ATOM 0 HG23 VAL A 7 35.580 41.777 33.397 1.00 0.00 H new ATOM 156 N SER A 8 32.319 41.731 34.262 1.00 0.00 N ATOM 157 CA SER A 8 31.150 41.084 33.653 1.00 0.00 C ATOM 158 C SER A 8 31.545 39.811 32.893 1.00 0.00 C ATOM 159 O SER A 8 32.493 39.806 32.103 1.00 0.00 O ATOM 160 CB SER A 8 30.427 42.059 32.722 1.00 0.00 C ATOM 161 OG SER A 8 29.352 41.408 32.075 1.00 0.00 O ATOM 0 H SER A 8 32.686 42.503 33.705 1.00 0.00 H new ATOM 0 HA SER A 8 30.473 40.795 34.456 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.056 42.911 33.292 1.00 0.00 H new ATOM 0 HB3 SER A 8 31.124 42.451 31.981 1.00 0.00 H new ATOM 0 HG SER A 8 28.871 40.850 32.721 1.00 0.00 H new ATOM 167 N ARG A 9 30.815 38.714 33.136 1.00 0.00 N ATOM 168 CA ARG A 9 31.017 37.406 32.499 1.00 0.00 C ATOM 169 C ARG A 9 29.755 36.543 32.547 1.00 0.00 C ATOM 170 O ARG A 9 29.086 36.474 33.576 1.00 0.00 O ATOM 171 CB ARG A 9 32.238 36.687 33.115 1.00 0.00 C ATOM 172 CG ARG A 9 32.151 36.485 34.637 1.00 0.00 C ATOM 173 CD ARG A 9 33.518 36.107 35.213 1.00 0.00 C ATOM 174 NE ARG A 9 33.471 36.092 36.687 1.00 0.00 N ATOM 175 CZ ARG A 9 34.484 36.216 37.520 1.00 0.00 C ATOM 176 NH1 ARG A 9 35.714 36.327 37.100 1.00 0.00 N ATOM 177 NH2 ARG A 9 34.277 36.206 38.803 1.00 0.00 N ATOM 0 H ARG A 9 30.043 38.713 33.803 1.00 0.00 H new ATOM 0 HA ARG A 9 31.228 37.576 31.443 1.00 0.00 H new ATOM 0 HB2 ARG A 9 32.351 35.714 32.637 1.00 0.00 H new ATOM 0 HB3 ARG A 9 33.136 37.261 32.887 1.00 0.00 H new ATOM 0 HG2 ARG A 9 31.792 37.399 35.110 1.00 0.00 H new ATOM 0 HG3 ARG A 9 31.427 35.703 34.864 1.00 0.00 H new ATOM 0 HD2 ARG A 9 33.817 35.126 34.843 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.271 36.818 34.874 1.00 0.00 H new ATOM 0 HE ARG A 9 32.550 35.972 37.109 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.914 36.319 36.100 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.476 36.422 37.772 1.00 0.00 H new ATOM 0 HH21 ARG A 9 33.329 36.102 39.166 1.00 0.00 H new ATOM 0 HH22 ARG A 9 35.062 36.302 39.447 1.00 0.00 H new ATOM 191 N ILE A 10 29.433 35.894 31.431 1.00 0.00 N ATOM 192 CA ILE A 10 28.314 34.949 31.298 1.00 0.00 C ATOM 193 C ILE A 10 28.720 33.588 31.882 1.00 0.00 C ATOM 194 O ILE A 10 29.869 33.167 31.722 1.00 0.00 O ATOM 195 CB ILE A 10 27.865 34.838 29.815 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.412 36.216 29.272 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.748 33.788 29.642 1.00 0.00 C ATOM 198 CD1 ILE A 10 27.068 36.232 27.779 1.00 0.00 C ATOM 0 H ILE A 10 29.957 36.011 30.564 1.00 0.00 H new ATOM 0 HA ILE A 10 27.456 35.316 31.862 1.00 0.00 H new ATOM 0 HB ILE A 10 28.725 34.506 29.233 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.539 36.545 29.836 1.00 0.00 H new ATOM 0 HG13 ILE A 10 28.203 36.943 29.457 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.457 33.736 28.593 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.112 32.813 29.967 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.885 34.072 30.244 1.00 0.00 H new ATOM 0 HD11 ILE A 10 26.761 37.236 27.487 1.00 0.00 H new ATOM 0 HD12 ILE A 10 27.944 35.937 27.201 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.254 35.534 27.586 1.00 0.00 H new ATOM 210 N TYR A 11 27.773 32.892 32.517 1.00 0.00 N ATOM 211 CA TYR A 11 27.898 31.506 32.973 1.00 0.00 C ATOM 212 C TYR A 11 26.817 30.616 32.340 1.00 0.00 C ATOM 213 O TYR A 11 25.626 30.952 32.348 1.00 0.00 O ATOM 214 CB TYR A 11 27.849 31.457 34.511 1.00 0.00 C ATOM 215 CG TYR A 11 27.373 30.140 35.106 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.235 29.030 35.180 1.00 0.00 C ATOM 217 CD2 TYR A 11 26.049 30.022 35.571 1.00 0.00 C ATOM 218 CE1 TYR A 11 27.793 27.826 35.768 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.589 28.812 36.124 1.00 0.00 C ATOM 220 CZ TYR A 11 26.468 27.717 36.246 1.00 0.00 C ATOM 221 OH TYR A 11 26.030 26.568 36.834 1.00 0.00 O ATOM 0 H TYR A 11 26.862 33.295 32.736 1.00 0.00 H new ATOM 0 HA TYR A 11 28.861 31.112 32.649 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.846 31.671 34.897 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.193 32.253 34.863 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.238 29.100 34.785 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.380 30.867 35.503 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.468 26.987 35.853 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.565 28.723 36.454 1.00 0.00 H new ATOM 0 HH TYR A 11 25.093 26.674 37.102 1.00 0.00 H new ATOM 231 N VAL A 12 27.235 29.449 31.849 1.00 0.00 N ATOM 232 CA VAL A 12 26.353 28.319 31.533 1.00 0.00 C ATOM 233 C VAL A 12 26.943 27.027 32.108 1.00 0.00 C ATOM 234 O VAL A 12 28.156 26.825 32.111 1.00 0.00 O ATOM 235 CB VAL A 12 26.023 28.201 30.026 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.376 29.476 29.477 1.00 0.00 C ATOM 237 CG2 VAL A 12 27.237 27.880 29.151 1.00 0.00 C ATOM 0 H VAL A 12 28.218 29.256 31.655 1.00 0.00 H new ATOM 0 HA VAL A 12 25.391 28.505 32.010 1.00 0.00 H new ATOM 0 HB VAL A 12 25.325 27.365 29.974 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.162 29.348 28.416 1.00 0.00 H new ATOM 0 HG12 VAL A 12 24.448 29.673 30.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 26.057 30.316 29.610 1.00 0.00 H new ATOM 0 HG21 VAL A 12 26.926 27.813 28.108 1.00 0.00 H new ATOM 0 HG22 VAL A 12 27.981 28.669 29.258 1.00 0.00 H new ATOM 0 HG23 VAL A 12 27.669 26.929 29.463 1.00 0.00 H new ATOM 247 N GLY A 13 26.076 26.158 32.618 1.00 0.00 N ATOM 248 CA GLY A 13 26.427 24.935 33.338 1.00 0.00 C ATOM 249 C GLY A 13 25.566 23.745 32.929 1.00 0.00 C ATOM 250 O GLY A 13 24.600 23.896 32.181 1.00 0.00 O ATOM 0 H GLY A 13 25.068 26.291 32.539 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.476 24.699 33.156 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.320 25.105 34.409 1.00 0.00 H new ATOM 254 N ASN A 14 25.933 22.551 33.402 1.00 0.00 N ATOM 255 CA ASN A 14 25.272 21.283 33.055 1.00 0.00 C ATOM 256 C ASN A 14 25.140 21.087 31.519 1.00 0.00 C ATOM 257 O ASN A 14 24.191 20.466 31.041 1.00 0.00 O ATOM 258 CB ASN A 14 23.930 21.169 33.818 1.00 0.00 C ATOM 259 CG ASN A 14 24.033 21.313 35.330 1.00 0.00 C ATOM 260 OD1 ASN A 14 25.072 21.125 35.949 1.00 0.00 O ATOM 261 ND2 ASN A 14 22.941 21.638 35.982 1.00 0.00 N ATOM 0 H ASN A 14 26.712 22.433 34.049 1.00 0.00 H new ATOM 0 HA ASN A 14 25.901 20.454 33.380 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.250 21.933 33.441 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.481 20.202 33.590 1.00 0.00 H new ATOM 0 HD21 ASN A 14 22.962 21.732 36.997 1.00 0.00 H new ATOM 0 HD22 ASN A 14 22.071 21.796 35.473 1.00 0.00 H new ATOM 268 N LEU A 15 26.046 21.694 30.745 1.00 0.00 N ATOM 269 CA LEU A 15 25.889 21.937 29.307 1.00 0.00 C ATOM 270 C LEU A 15 26.109 20.658 28.462 1.00 0.00 C ATOM 271 O LEU A 15 26.830 19.755 28.904 1.00 0.00 O ATOM 272 CB LEU A 15 26.792 23.130 28.920 1.00 0.00 C ATOM 273 CG LEU A 15 28.309 22.840 28.917 1.00 0.00 C ATOM 274 CD1 LEU A 15 28.839 22.676 27.492 1.00 0.00 C ATOM 275 CD2 LEU A 15 29.082 23.994 29.557 1.00 0.00 C ATOM 0 H LEU A 15 26.933 22.039 31.112 1.00 0.00 H new ATOM 0 HA LEU A 15 24.858 22.209 29.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.503 23.475 27.927 1.00 0.00 H new ATOM 0 HB3 LEU A 15 26.598 23.950 29.611 1.00 0.00 H new ATOM 0 HG LEU A 15 28.453 21.919 29.481 1.00 0.00 H new ATOM 0 HD11 LEU A 15 29.909 22.473 27.523 1.00 0.00 H new ATOM 0 HD12 LEU A 15 28.326 21.846 27.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.660 23.592 26.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.148 23.769 29.544 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.898 24.910 28.996 1.00 0.00 H new ATOM 0 HD23 LEU A 15 28.751 24.126 30.587 1.00 0.00 H new ATOM 287 N PRO A 16 25.500 20.543 27.263 1.00 0.00 N ATOM 288 CA PRO A 16 25.580 19.338 26.432 1.00 0.00 C ATOM 289 C PRO A 16 27.016 19.082 25.939 1.00 0.00 C ATOM 290 O PRO A 16 27.588 19.892 25.204 1.00 0.00 O ATOM 291 CB PRO A 16 24.591 19.562 25.281 1.00 0.00 C ATOM 292 CG PRO A 16 24.492 21.083 25.175 1.00 0.00 C ATOM 293 CD PRO A 16 24.638 21.531 26.625 1.00 0.00 C ATOM 0 HA PRO A 16 25.319 18.442 26.995 1.00 0.00 H new ATOM 0 HB2 PRO A 16 24.951 19.119 24.352 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.621 19.112 25.494 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.277 21.497 24.542 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.540 21.398 24.748 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.076 22.528 26.684 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.667 21.580 27.119 1.00 0.00 H new ATOM 301 N SER A 17 27.592 17.945 26.345 1.00 0.00 N ATOM 302 CA SER A 17 28.992 17.558 26.088 1.00 0.00 C ATOM 303 C SER A 17 29.978 18.684 26.467 1.00 0.00 C ATOM 304 O SER A 17 30.035 19.079 27.634 1.00 0.00 O ATOM 305 CB SER A 17 29.166 17.012 24.662 1.00 0.00 C ATOM 306 OG SER A 17 28.314 15.894 24.446 1.00 0.00 O ATOM 0 H SER A 17 27.083 17.242 26.880 1.00 0.00 H new ATOM 0 HA SER A 17 29.249 16.730 26.749 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.939 17.794 23.937 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.204 16.721 24.503 1.00 0.00 H new ATOM 0 HG SER A 17 28.437 15.561 23.533 1.00 0.00 H new ATOM 312 N HIS A 18 30.740 19.225 25.507 1.00 0.00 N ATOM 313 CA HIS A 18 31.620 20.386 25.690 1.00 0.00 C ATOM 314 C HIS A 18 31.810 21.153 24.371 1.00 0.00 C ATOM 315 O HIS A 18 31.954 20.557 23.303 1.00 0.00 O ATOM 316 CB HIS A 18 32.976 19.958 26.286 1.00 0.00 C ATOM 317 CG HIS A 18 33.720 18.904 25.497 1.00 0.00 C ATOM 318 ND1 HIS A 18 33.454 17.530 25.516 1.00 0.00 N ATOM 319 CD2 HIS A 18 34.763 19.136 24.648 1.00 0.00 C ATOM 320 CE1 HIS A 18 34.341 16.970 24.677 1.00 0.00 C ATOM 321 NE2 HIS A 18 35.138 17.910 24.144 1.00 0.00 N ATOM 0 H HIS A 18 30.762 18.857 24.556 1.00 0.00 H new ATOM 0 HA HIS A 18 31.141 21.062 26.398 1.00 0.00 H new ATOM 0 HB2 HIS A 18 33.611 20.840 26.374 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.809 19.583 27.296 1.00 0.00 H new ATOM 0 HD2 HIS A 18 35.207 20.093 24.417 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.404 15.914 24.462 1.00 0.00 H new ATOM 0 HE2 HIS A 18 35.893 17.744 23.479 1.00 0.00 H new ATOM 329 N VAL A 19 31.824 22.484 24.460 1.00 0.00 N ATOM 330 CA VAL A 19 32.185 23.407 23.365 1.00 0.00 C ATOM 331 C VAL A 19 33.680 23.740 23.416 1.00 0.00 C ATOM 332 O VAL A 19 34.260 23.820 24.503 1.00 0.00 O ATOM 333 CB VAL A 19 31.331 24.695 23.409 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.870 24.387 23.061 1.00 0.00 C ATOM 335 CG2 VAL A 19 31.364 25.430 24.758 1.00 0.00 C ATOM 0 H VAL A 19 31.578 22.972 25.321 1.00 0.00 H new ATOM 0 HA VAL A 19 31.975 22.906 22.420 1.00 0.00 H new ATOM 0 HB VAL A 19 31.782 25.356 22.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.286 25.306 23.098 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.816 23.963 22.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.468 23.673 23.779 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.739 26.321 24.702 1.00 0.00 H new ATOM 0 HG22 VAL A 19 30.987 24.771 25.541 1.00 0.00 H new ATOM 0 HG23 VAL A 19 32.389 25.719 24.990 1.00 0.00 H new ATOM 345 N SER A 20 34.324 23.951 22.263 1.00 0.00 N ATOM 346 CA SER A 20 35.678 24.527 22.219 1.00 0.00 C ATOM 347 C SER A 20 35.645 26.052 22.386 1.00 0.00 C ATOM 348 O SER A 20 34.601 26.691 22.230 1.00 0.00 O ATOM 349 CB SER A 20 36.409 24.152 20.923 1.00 0.00 C ATOM 350 OG SER A 20 35.921 24.893 19.819 1.00 0.00 O ATOM 0 H SER A 20 33.932 23.733 21.347 1.00 0.00 H new ATOM 0 HA SER A 20 36.230 24.102 23.057 1.00 0.00 H new ATOM 0 HB2 SER A 20 37.477 24.334 21.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.286 23.086 20.730 1.00 0.00 H new ATOM 0 HG SER A 20 35.250 24.363 19.340 1.00 0.00 H new ATOM 356 N SER A 21 36.814 26.654 22.624 1.00 0.00 N ATOM 357 CA SER A 21 36.999 28.114 22.648 1.00 0.00 C ATOM 358 C SER A 21 36.555 28.791 21.338 1.00 0.00 C ATOM 359 O SER A 21 36.071 29.924 21.360 1.00 0.00 O ATOM 360 CB SER A 21 38.476 28.449 22.900 1.00 0.00 C ATOM 361 OG SER A 21 38.961 27.750 24.040 1.00 0.00 O ATOM 0 H SER A 21 37.673 26.136 22.809 1.00 0.00 H new ATOM 0 HA SER A 21 36.371 28.497 23.453 1.00 0.00 H new ATOM 0 HB2 SER A 21 39.069 28.184 22.025 1.00 0.00 H new ATOM 0 HB3 SER A 21 38.591 29.523 23.049 1.00 0.00 H new ATOM 0 HG SER A 21 39.904 27.974 24.184 1.00 0.00 H new ATOM 367 N ARG A 22 36.669 28.086 20.201 1.00 0.00 N ATOM 368 CA ARG A 22 36.256 28.568 18.870 1.00 0.00 C ATOM 369 C ARG A 22 34.738 28.538 18.701 1.00 0.00 C ATOM 370 O ARG A 22 34.146 29.511 18.235 1.00 0.00 O ATOM 371 CB ARG A 22 36.944 27.760 17.748 1.00 0.00 C ATOM 372 CG ARG A 22 38.483 27.756 17.835 1.00 0.00 C ATOM 373 CD ARG A 22 39.066 26.574 18.630 1.00 0.00 C ATOM 374 NE ARG A 22 39.569 25.502 17.746 1.00 0.00 N ATOM 375 CZ ARG A 22 38.974 24.379 17.385 1.00 0.00 C ATOM 376 NH1 ARG A 22 37.778 24.042 17.777 1.00 0.00 N ATOM 377 NH2 ARG A 22 39.590 23.543 16.597 1.00 0.00 N ATOM 0 H ARG A 22 37.059 27.144 20.179 1.00 0.00 H new ATOM 0 HA ARG A 22 36.576 29.607 18.792 1.00 0.00 H new ATOM 0 HB2 ARG A 22 36.585 26.731 17.782 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.645 28.170 16.783 1.00 0.00 H new ATOM 0 HG2 ARG A 22 38.893 27.738 16.825 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.812 28.687 18.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 39.877 26.930 19.265 1.00 0.00 H new ATOM 0 HD3 ARG A 22 38.299 26.169 19.290 1.00 0.00 H new ATOM 0 HE ARG A 22 40.503 25.649 17.362 1.00 0.00 H new ATOM 0 HH11 ARG A 22 37.251 24.659 18.395 1.00 0.00 H new ATOM 0 HH12 ARG A 22 37.369 23.161 17.466 1.00 0.00 H new ATOM 0 HH21 ARG A 22 40.529 23.757 16.261 1.00 0.00 H new ATOM 0 HH22 ARG A 22 39.133 22.675 16.317 1.00 0.00 H new ATOM 391 N ASP A 23 34.098 27.445 19.125 1.00 0.00 N ATOM 392 CA ASP A 23 32.639 27.286 19.070 1.00 0.00 C ATOM 393 C ASP A 23 31.919 28.296 19.973 1.00 0.00 C ATOM 394 O ASP A 23 30.977 28.956 19.534 1.00 0.00 O ATOM 395 CB ASP A 23 32.229 25.862 19.478 1.00 0.00 C ATOM 396 CG ASP A 23 32.892 24.759 18.648 1.00 0.00 C ATOM 397 OD1 ASP A 23 32.779 24.772 17.399 1.00 0.00 O ATOM 398 OD2 ASP A 23 33.532 23.875 19.267 1.00 0.00 O ATOM 0 H ASP A 23 34.580 26.638 19.520 1.00 0.00 H new ATOM 0 HA ASP A 23 32.341 27.471 18.038 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.478 25.711 20.528 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.147 25.768 19.390 1.00 0.00 H new ATOM 403 N VAL A 24 32.378 28.448 21.221 1.00 0.00 N ATOM 404 CA VAL A 24 31.754 29.356 22.196 1.00 0.00 C ATOM 405 C VAL A 24 31.947 30.828 21.814 1.00 0.00 C ATOM 406 O VAL A 24 31.015 31.618 21.958 1.00 0.00 O ATOM 407 CB VAL A 24 32.231 29.018 23.623 1.00 0.00 C ATOM 408 CG1 VAL A 24 33.641 29.514 23.935 1.00 0.00 C ATOM 409 CG2 VAL A 24 31.292 29.587 24.690 1.00 0.00 C ATOM 0 H VAL A 24 33.189 27.948 21.584 1.00 0.00 H new ATOM 0 HA VAL A 24 30.675 29.201 22.179 1.00 0.00 H new ATOM 0 HB VAL A 24 32.230 27.928 23.652 1.00 0.00 H new ATOM 0 HG11 VAL A 24 33.906 29.239 24.956 1.00 0.00 H new ATOM 0 HG12 VAL A 24 34.348 29.059 23.241 1.00 0.00 H new ATOM 0 HG13 VAL A 24 33.677 30.598 23.831 1.00 0.00 H new ATOM 0 HG21 VAL A 24 31.665 29.326 25.680 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.247 30.672 24.594 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.294 29.169 24.557 1.00 0.00 H new ATOM 419 N GLU A 25 33.097 31.206 21.240 1.00 0.00 N ATOM 420 CA GLU A 25 33.319 32.550 20.688 1.00 0.00 C ATOM 421 C GLU A 25 32.368 32.850 19.517 1.00 0.00 C ATOM 422 O GLU A 25 31.675 33.869 19.528 1.00 0.00 O ATOM 423 CB GLU A 25 34.795 32.699 20.271 1.00 0.00 C ATOM 424 CG GLU A 25 35.105 34.045 19.597 1.00 0.00 C ATOM 425 CD GLU A 25 36.612 34.255 19.331 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.330 33.287 18.982 1.00 0.00 O ATOM 427 OE2 GLU A 25 37.086 35.412 19.440 1.00 0.00 O ATOM 0 H GLU A 25 33.902 30.587 21.145 1.00 0.00 H new ATOM 0 HA GLU A 25 33.097 33.284 21.462 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.427 32.588 21.152 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.056 31.890 19.588 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.563 34.105 18.653 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.737 34.854 20.228 1.00 0.00 H new ATOM 434 N ASN A 26 32.289 31.947 18.531 1.00 0.00 N ATOM 435 CA ASN A 26 31.429 32.119 17.355 1.00 0.00 C ATOM 436 C ASN A 26 29.927 32.110 17.704 1.00 0.00 C ATOM 437 O ASN A 26 29.140 32.767 17.023 1.00 0.00 O ATOM 438 CB ASN A 26 31.767 31.038 16.309 1.00 0.00 C ATOM 439 CG ASN A 26 33.120 31.221 15.631 1.00 0.00 C ATOM 440 OD1 ASN A 26 33.826 32.205 15.794 1.00 0.00 O ATOM 441 ND2 ASN A 26 33.507 30.280 14.796 1.00 0.00 N ATOM 0 H ASN A 26 32.820 31.076 18.527 1.00 0.00 H new ATOM 0 HA ASN A 26 31.631 33.105 16.937 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.746 30.062 16.793 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.989 31.032 15.545 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.389 30.376 14.292 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.925 29.455 14.653 1.00 0.00 H new ATOM 448 N GLU A 27 29.521 31.408 18.764 1.00 0.00 N ATOM 449 CA GLU A 27 28.151 31.441 19.289 1.00 0.00 C ATOM 450 C GLU A 27 27.841 32.751 20.036 1.00 0.00 C ATOM 451 O GLU A 27 26.871 33.438 19.701 1.00 0.00 O ATOM 452 CB GLU A 27 27.910 30.201 20.166 1.00 0.00 C ATOM 453 CG GLU A 27 26.491 30.155 20.750 1.00 0.00 C ATOM 454 CD GLU A 27 26.105 28.726 21.183 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.893 27.858 20.299 1.00 0.00 O ATOM 456 OE2 GLU A 27 25.991 28.463 22.403 1.00 0.00 O ATOM 0 H GLU A 27 30.141 30.792 19.290 1.00 0.00 H new ATOM 0 HA GLU A 27 27.458 31.414 18.448 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.084 29.303 19.574 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.634 30.191 20.981 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.427 30.826 21.607 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.779 30.517 20.008 1.00 0.00 H new ATOM 463 N PHE A 28 28.659 33.132 21.026 1.00 0.00 N ATOM 464 CA PHE A 28 28.371 34.289 21.879 1.00 0.00 C ATOM 465 C PHE A 28 28.594 35.657 21.211 1.00 0.00 C ATOM 466 O PHE A 28 28.021 36.645 21.679 1.00 0.00 O ATOM 467 CB PHE A 28 29.071 34.169 23.240 1.00 0.00 C ATOM 468 CG PHE A 28 28.274 33.322 24.217 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.209 33.904 24.933 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.539 31.948 24.367 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.423 33.120 25.797 1.00 0.00 C ATOM 472 CE2 PHE A 28 27.765 31.167 25.244 1.00 0.00 C ATOM 473 CZ PHE A 28 26.707 31.753 25.961 1.00 0.00 C ATOM 0 H PHE A 28 29.529 32.652 21.255 1.00 0.00 H new ATOM 0 HA PHE A 28 27.295 34.260 22.054 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.059 33.730 23.102 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.220 35.164 23.660 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.995 34.956 24.818 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.341 31.491 23.806 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.601 33.569 26.335 1.00 0.00 H new ATOM 0 HE2 PHE A 28 27.983 30.116 25.367 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.114 31.154 26.636 1.00 0.00 H new ATOM 483 N ARG A 29 29.311 35.749 20.081 1.00 0.00 N ATOM 484 CA ARG A 29 29.522 37.022 19.356 1.00 0.00 C ATOM 485 C ARG A 29 28.224 37.751 18.960 1.00 0.00 C ATOM 486 O ARG A 29 28.231 38.977 18.862 1.00 0.00 O ATOM 487 CB ARG A 29 30.454 36.792 18.145 1.00 0.00 C ATOM 488 CG ARG A 29 29.792 36.065 16.957 1.00 0.00 C ATOM 489 CD ARG A 29 29.241 37.045 15.902 1.00 0.00 C ATOM 490 NE ARG A 29 28.073 36.501 15.178 1.00 0.00 N ATOM 491 CZ ARG A 29 28.063 35.578 14.230 1.00 0.00 C ATOM 492 NH1 ARG A 29 29.149 34.995 13.807 1.00 0.00 N ATOM 493 NH2 ARG A 29 26.940 35.229 13.673 1.00 0.00 N ATOM 0 H ARG A 29 29.762 34.947 19.640 1.00 0.00 H new ATOM 0 HA ARG A 29 30.007 37.702 20.056 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.827 37.757 17.802 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.318 36.214 18.472 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.520 35.403 16.489 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.980 35.437 17.325 1.00 0.00 H new ATOM 0 HD2 ARG A 29 28.959 37.978 16.390 1.00 0.00 H new ATOM 0 HD3 ARG A 29 30.028 37.284 15.187 1.00 0.00 H new ATOM 0 HE ARG A 29 27.165 36.883 15.441 1.00 0.00 H new ATOM 0 HH11 ARG A 29 30.052 35.246 14.209 1.00 0.00 H new ATOM 0 HH12 ARG A 29 29.096 34.288 13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 29 26.067 35.667 13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 29 26.933 34.517 12.942 1.00 0.00 H new ATOM 507 N LYS A 30 27.108 37.029 18.756 1.00 0.00 N ATOM 508 CA LYS A 30 25.787 37.625 18.449 1.00 0.00 C ATOM 509 C LYS A 30 25.099 38.249 19.675 1.00 0.00 C ATOM 510 O LYS A 30 24.266 39.142 19.520 1.00 0.00 O ATOM 511 CB LYS A 30 24.900 36.617 17.682 1.00 0.00 C ATOM 512 CG LYS A 30 24.088 35.598 18.508 1.00 0.00 C ATOM 513 CD LYS A 30 22.677 36.096 18.875 1.00 0.00 C ATOM 514 CE LYS A 30 21.864 35.043 19.644 1.00 0.00 C ATOM 515 NZ LYS A 30 20.459 35.491 19.832 1.00 0.00 N ATOM 0 H LYS A 30 27.093 36.010 18.799 1.00 0.00 H new ATOM 0 HA LYS A 30 25.956 38.473 17.785 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.200 37.185 17.070 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.541 36.059 16.999 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.002 34.669 17.944 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.633 35.366 19.423 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.760 36.999 19.479 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.143 36.369 17.965 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.879 34.098 19.101 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.325 34.860 20.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.930 34.764 20.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.447 36.381 20.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.016 35.643 18.903 1.00 0.00 H new ATOM 529 N TYR A 31 25.451 37.798 20.882 1.00 0.00 N ATOM 530 CA TYR A 31 24.955 38.330 22.158 1.00 0.00 C ATOM 531 C TYR A 31 25.661 39.652 22.506 1.00 0.00 C ATOM 532 O TYR A 31 25.037 40.569 23.040 1.00 0.00 O ATOM 533 CB TYR A 31 25.157 37.302 23.296 1.00 0.00 C ATOM 534 CG TYR A 31 24.457 35.951 23.162 1.00 0.00 C ATOM 535 CD1 TYR A 31 24.823 35.047 22.145 1.00 0.00 C ATOM 536 CD2 TYR A 31 23.488 35.559 24.105 1.00 0.00 C ATOM 537 CE1 TYR A 31 24.215 33.781 22.043 1.00 0.00 C ATOM 538 CE2 TYR A 31 22.867 34.297 24.004 1.00 0.00 C ATOM 539 CZ TYR A 31 23.225 33.406 22.972 1.00 0.00 C ATOM 540 OH TYR A 31 22.611 32.196 22.874 1.00 0.00 O ATOM 0 H TYR A 31 26.109 37.029 21.004 1.00 0.00 H new ATOM 0 HA TYR A 31 23.888 38.523 22.051 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.227 37.118 23.396 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.824 37.762 24.227 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.583 35.330 21.432 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.219 36.228 24.909 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.506 33.101 21.256 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.112 34.011 24.722 1.00 0.00 H new ATOM 0 HH TYR A 31 23.228 31.548 22.474 1.00 0.00 H new ATOM 550 N GLY A 32 26.951 39.771 22.172 1.00 0.00 N ATOM 551 CA GLY A 32 27.760 40.981 22.342 1.00 0.00 C ATOM 552 C GLY A 32 29.265 40.709 22.258 1.00 0.00 C ATOM 553 O GLY A 32 29.697 39.626 21.852 1.00 0.00 O ATOM 0 H GLY A 32 27.478 39.000 21.762 1.00 0.00 H new ATOM 0 HA2 GLY A 32 27.484 41.707 21.577 1.00 0.00 H new ATOM 0 HA3 GLY A 32 27.531 41.432 23.307 1.00 0.00 H new ATOM 557 N ASN A 33 30.074 41.699 22.640 1.00 0.00 N ATOM 558 CA ASN A 33 31.534 41.611 22.595 1.00 0.00 C ATOM 559 C ASN A 33 32.084 40.701 23.714 1.00 0.00 C ATOM 560 O ASN A 33 32.199 41.110 24.873 1.00 0.00 O ATOM 561 CB ASN A 33 32.149 43.024 22.634 1.00 0.00 C ATOM 562 CG ASN A 33 32.000 43.809 21.336 1.00 0.00 C ATOM 563 OD1 ASN A 33 31.036 43.695 20.591 1.00 0.00 O ATOM 564 ND2 ASN A 33 32.967 44.636 21.007 1.00 0.00 N ATOM 0 H ASN A 33 29.731 42.592 22.992 1.00 0.00 H new ATOM 0 HA ASN A 33 31.826 41.145 21.654 1.00 0.00 H new ATOM 0 HB2 ASN A 33 31.683 43.588 23.442 1.00 0.00 H new ATOM 0 HB3 ASN A 33 33.209 42.940 22.874 1.00 0.00 H new ATOM 0 HD21 ASN A 33 32.907 45.172 20.141 1.00 0.00 H new ATOM 0 HD22 ASN A 33 33.777 44.742 21.618 1.00 0.00 H new ATOM 571 N ILE A 34 32.452 39.477 23.332 1.00 0.00 N ATOM 572 CA ILE A 34 33.276 38.537 24.103 1.00 0.00 C ATOM 573 C ILE A 34 34.745 38.996 24.117 1.00 0.00 C ATOM 574 O ILE A 34 35.299 39.339 23.069 1.00 0.00 O ATOM 575 CB ILE A 34 33.082 37.089 23.569 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.028 36.037 24.198 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.079 36.966 22.031 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.409 35.815 23.558 1.00 0.00 C ATOM 0 H ILE A 34 32.170 39.092 22.430 1.00 0.00 H new ATOM 0 HA ILE A 34 32.951 38.528 25.143 1.00 0.00 H new ATOM 0 HB ILE A 34 32.074 36.853 23.909 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.187 36.315 25.240 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.506 35.080 24.199 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.938 35.922 21.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.267 37.565 21.620 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.030 37.323 21.636 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.949 35.049 24.114 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.283 35.493 22.524 1.00 0.00 H new ATOM 0 HD13 ILE A 34 35.975 36.746 23.581 1.00 0.00 H new ATOM 590 N LEU A 35 35.385 38.994 25.294 1.00 0.00 N ATOM 591 CA LEU A 35 36.822 39.277 25.456 1.00 0.00 C ATOM 592 C LEU A 35 37.668 37.996 25.558 1.00 0.00 C ATOM 593 O LEU A 35 38.751 37.917 24.972 1.00 0.00 O ATOM 594 CB LEU A 35 37.084 40.156 26.697 1.00 0.00 C ATOM 595 CG LEU A 35 36.498 41.583 26.741 1.00 0.00 C ATOM 596 CD1 LEU A 35 36.645 42.344 25.422 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.035 41.610 27.175 1.00 0.00 C ATOM 0 H LEU A 35 34.914 38.793 26.176 1.00 0.00 H new ATOM 0 HA LEU A 35 37.124 39.815 24.557 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.706 39.618 27.567 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.164 40.240 26.819 1.00 0.00 H new ATOM 0 HG LEU A 35 37.098 42.092 27.495 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.212 43.339 25.526 1.00 0.00 H new ATOM 0 HD12 LEU A 35 37.702 42.433 25.169 1.00 0.00 H new ATOM 0 HD13 LEU A 35 36.127 41.803 24.630 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.678 42.640 27.187 1.00 0.00 H new ATOM 0 HD22 LEU A 35 34.437 41.027 26.475 1.00 0.00 H new ATOM 0 HD23 LEU A 35 34.944 41.183 28.174 1.00 0.00 H new ATOM 609 N LYS A 36 37.179 37.003 26.315 1.00 0.00 N ATOM 610 CA LYS A 36 37.870 35.749 26.661 1.00 0.00 C ATOM 611 C LYS A 36 36.849 34.671 27.036 1.00 0.00 C ATOM 612 O LYS A 36 35.784 34.987 27.563 1.00 0.00 O ATOM 613 CB LYS A 36 38.875 36.049 27.800 1.00 0.00 C ATOM 614 CG LYS A 36 39.622 34.830 28.373 1.00 0.00 C ATOM 615 CD LYS A 36 38.960 34.285 29.650 1.00 0.00 C ATOM 616 CE LYS A 36 39.311 32.816 29.917 1.00 0.00 C ATOM 617 NZ LYS A 36 40.762 32.576 30.132 1.00 0.00 N ATOM 0 H LYS A 36 36.246 37.054 26.723 1.00 0.00 H new ATOM 0 HA LYS A 36 38.426 35.359 25.809 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.612 36.762 27.430 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.338 36.538 28.613 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.657 34.042 27.621 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.653 35.109 28.592 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.271 34.889 30.502 1.00 0.00 H new ATOM 0 HD3 LYS A 36 37.878 34.386 29.565 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.762 32.474 30.794 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.973 32.212 29.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 40.948 31.553 30.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.305 33.022 29.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.050 32.985 31.044 1.00 0.00 H new ATOM 631 N CYS A 37 37.171 33.402 26.802 1.00 0.00 N ATOM 632 CA CYS A 37 36.310 32.255 27.101 1.00 0.00 C ATOM 633 C CYS A 37 37.115 31.040 27.599 1.00 0.00 C ATOM 634 O CYS A 37 38.282 30.865 27.246 1.00 0.00 O ATOM 635 CB CYS A 37 35.472 31.926 25.855 1.00 0.00 C ATOM 636 SG CYS A 37 36.543 31.567 24.425 1.00 0.00 S ATOM 0 H CYS A 37 38.063 33.132 26.387 1.00 0.00 H new ATOM 0 HA CYS A 37 35.640 32.516 27.920 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.832 31.068 26.059 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.816 32.765 25.621 1.00 0.00 H new ATOM 0 HG CYS A 37 35.807 31.291 23.390 1.00 0.00 H new ATOM 642 N ASP A 38 36.497 30.208 28.441 1.00 0.00 N ATOM 643 CA ASP A 38 37.055 28.933 28.927 1.00 0.00 C ATOM 644 C ASP A 38 35.949 27.979 29.418 1.00 0.00 C ATOM 645 O ASP A 38 34.859 28.411 29.803 1.00 0.00 O ATOM 646 CB ASP A 38 38.089 29.177 30.047 1.00 0.00 C ATOM 647 CG ASP A 38 39.548 29.014 29.583 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.856 28.033 28.863 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.396 29.854 29.972 1.00 0.00 O ATOM 0 H ASP A 38 35.569 30.403 28.817 1.00 0.00 H new ATOM 0 HA ASP A 38 37.558 28.457 28.085 1.00 0.00 H new ATOM 0 HB2 ASP A 38 37.953 30.183 30.443 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.897 28.483 30.865 1.00 0.00 H new ATOM 654 N VAL A 39 36.252 26.676 29.432 1.00 0.00 N ATOM 655 CA VAL A 39 35.352 25.601 29.886 1.00 0.00 C ATOM 656 C VAL A 39 36.060 24.721 30.920 1.00 0.00 C ATOM 657 O VAL A 39 37.202 24.303 30.705 1.00 0.00 O ATOM 658 CB VAL A 39 34.817 24.758 28.704 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.727 23.773 29.155 1.00 0.00 C ATOM 660 CG2 VAL A 39 34.225 25.632 27.594 1.00 0.00 C ATOM 0 H VAL A 39 37.157 26.326 29.119 1.00 0.00 H new ATOM 0 HA VAL A 39 34.486 26.065 30.358 1.00 0.00 H new ATOM 0 HB VAL A 39 35.680 24.212 28.321 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.377 23.200 28.297 1.00 0.00 H new ATOM 0 HG12 VAL A 39 34.137 23.094 29.902 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.893 24.326 29.586 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.862 24.997 26.786 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.398 26.218 27.994 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.993 26.304 27.211 1.00 0.00 H new ATOM 670 N LYS A 40 35.384 24.436 32.039 1.00 0.00 N ATOM 671 CA LYS A 40 35.892 23.655 33.186 1.00 0.00 C ATOM 672 C LYS A 40 34.904 22.551 33.585 1.00 0.00 C ATOM 673 O LYS A 40 33.796 22.481 33.052 1.00 0.00 O ATOM 674 CB LYS A 40 36.215 24.575 34.388 1.00 0.00 C ATOM 675 CG LYS A 40 36.981 25.871 34.052 1.00 0.00 C ATOM 676 CD LYS A 40 36.049 27.085 33.858 1.00 0.00 C ATOM 677 CE LYS A 40 35.883 27.931 35.134 1.00 0.00 C ATOM 678 NZ LYS A 40 35.322 27.168 36.275 1.00 0.00 N ATOM 0 H LYS A 40 34.426 24.755 32.182 1.00 0.00 H new ATOM 0 HA LYS A 40 36.820 23.175 32.876 1.00 0.00 H new ATOM 0 HB2 LYS A 40 35.279 24.845 34.877 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.800 24.006 35.110 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.689 26.087 34.852 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.564 25.718 33.144 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.444 27.715 33.061 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.070 26.735 33.532 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.853 28.338 35.420 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.232 28.778 34.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.172 27.808 37.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.414 26.744 35.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.986 26.416 36.550 1.00 0.00 H new ATOM 692 N LYS A 41 35.295 21.698 34.538 1.00 0.00 N ATOM 693 CA LYS A 41 34.468 20.606 35.085 1.00 0.00 C ATOM 694 C LYS A 41 34.673 20.391 36.589 1.00 0.00 C ATOM 695 O LYS A 41 35.771 20.609 37.102 1.00 0.00 O ATOM 696 CB LYS A 41 34.656 19.309 34.267 1.00 0.00 C ATOM 697 CG LYS A 41 35.951 18.499 34.507 1.00 0.00 C ATOM 698 CD LYS A 41 37.285 19.183 34.164 1.00 0.00 C ATOM 699 CE LYS A 41 37.377 19.589 32.683 1.00 0.00 C ATOM 700 NZ LYS A 41 38.720 20.138 32.347 1.00 0.00 N ATOM 0 H LYS A 41 36.220 21.746 34.965 1.00 0.00 H new ATOM 0 HA LYS A 41 33.427 20.911 34.982 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.807 18.656 34.471 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.612 19.568 33.209 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.980 18.212 35.558 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.885 17.578 33.927 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.406 20.068 34.788 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.107 18.509 34.404 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.170 18.723 32.054 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.613 20.334 32.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.746 20.401 31.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.907 20.979 32.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.446 19.418 32.535 1.00 0.00 H new ATOM 714 N THR A 42 33.625 19.954 37.281 1.00 0.00 N ATOM 715 CA THR A 42 33.684 19.496 38.686 1.00 0.00 C ATOM 716 C THR A 42 34.072 18.012 38.775 1.00 0.00 C ATOM 717 O THR A 42 33.857 17.244 37.834 1.00 0.00 O ATOM 718 CB THR A 42 32.367 19.789 39.440 1.00 0.00 C ATOM 719 OG1 THR A 42 32.380 19.212 40.727 1.00 0.00 O ATOM 720 CG2 THR A 42 31.115 19.246 38.750 1.00 0.00 C ATOM 0 H THR A 42 32.687 19.903 36.883 1.00 0.00 H new ATOM 0 HA THR A 42 34.468 20.068 39.182 1.00 0.00 H new ATOM 0 HB THR A 42 32.318 20.877 39.470 1.00 0.00 H new ATOM 0 HG1 THR A 42 31.537 19.413 41.184 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.235 19.494 39.344 1.00 0.00 H new ATOM 0 HG22 THR A 42 31.022 19.693 37.760 1.00 0.00 H new ATOM 0 HG23 THR A 42 31.193 18.163 38.653 1.00 0.00 H new ATOM 728 N VAL A 43 34.583 17.579 39.931 1.00 0.00 N ATOM 729 CA VAL A 43 34.785 16.159 40.287 1.00 0.00 C ATOM 730 C VAL A 43 33.475 15.344 40.238 1.00 0.00 C ATOM 731 O VAL A 43 33.507 14.137 39.998 1.00 0.00 O ATOM 732 CB VAL A 43 35.476 16.071 41.667 1.00 0.00 C ATOM 733 CG1 VAL A 43 34.590 16.550 42.826 1.00 0.00 C ATOM 734 CG2 VAL A 43 35.966 14.656 41.989 1.00 0.00 C ATOM 0 H VAL A 43 34.878 18.218 40.669 1.00 0.00 H new ATOM 0 HA VAL A 43 35.435 15.705 39.539 1.00 0.00 H new ATOM 0 HB VAL A 43 36.329 16.744 41.579 1.00 0.00 H new ATOM 0 HG11 VAL A 43 35.138 16.461 43.764 1.00 0.00 H new ATOM 0 HG12 VAL A 43 34.313 17.592 42.666 1.00 0.00 H new ATOM 0 HG13 VAL A 43 33.689 15.938 42.872 1.00 0.00 H new ATOM 0 HG21 VAL A 43 36.443 14.650 42.969 1.00 0.00 H new ATOM 0 HG22 VAL A 43 35.119 13.970 41.994 1.00 0.00 H new ATOM 0 HG23 VAL A 43 36.685 14.339 41.233 1.00 0.00 H new ATOM 744 N SER A 44 32.315 16.002 40.381 1.00 0.00 N ATOM 745 CA SER A 44 30.982 15.400 40.194 1.00 0.00 C ATOM 746 C SER A 44 30.644 15.073 38.717 1.00 0.00 C ATOM 747 O SER A 44 29.682 14.352 38.433 1.00 0.00 O ATOM 748 CB SER A 44 29.936 16.332 40.830 1.00 0.00 C ATOM 749 OG SER A 44 28.661 15.718 40.923 1.00 0.00 O ATOM 0 H SER A 44 32.274 16.989 40.635 1.00 0.00 H new ATOM 0 HA SER A 44 30.975 14.431 40.692 1.00 0.00 H new ATOM 0 HB2 SER A 44 30.270 16.626 41.825 1.00 0.00 H new ATOM 0 HB3 SER A 44 29.856 17.244 40.239 1.00 0.00 H new ATOM 0 HG SER A 44 28.527 15.124 40.155 1.00 0.00 H new ATOM 755 N GLY A 45 31.454 15.550 37.762 1.00 0.00 N ATOM 756 CA GLY A 45 31.387 15.225 36.329 1.00 0.00 C ATOM 757 C GLY A 45 30.637 16.232 35.439 1.00 0.00 C ATOM 758 O GLY A 45 30.726 16.132 34.212 1.00 0.00 O ATOM 0 H GLY A 45 32.208 16.202 37.976 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.405 15.126 35.952 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.911 14.251 36.220 1.00 0.00 H new ATOM 762 N ALA A 46 29.926 17.208 36.015 1.00 0.00 N ATOM 763 CA ALA A 46 29.283 18.294 35.262 1.00 0.00 C ATOM 764 C ALA A 46 30.309 19.295 34.685 1.00 0.00 C ATOM 765 O ALA A 46 31.355 19.545 35.290 1.00 0.00 O ATOM 766 CB ALA A 46 28.249 18.987 36.159 1.00 0.00 C ATOM 0 H ALA A 46 29.779 17.268 37.023 1.00 0.00 H new ATOM 0 HA ALA A 46 28.773 17.864 34.400 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.769 19.794 35.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.496 18.264 36.472 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.746 19.397 37.038 1.00 0.00 H new ATOM 772 N ALA A 47 29.989 19.880 33.526 1.00 0.00 N ATOM 773 CA ALA A 47 30.811 20.875 32.830 1.00 0.00 C ATOM 774 C ALA A 47 30.184 22.284 32.862 1.00 0.00 C ATOM 775 O ALA A 47 28.957 22.434 32.869 1.00 0.00 O ATOM 776 CB ALA A 47 31.065 20.397 31.395 1.00 0.00 C ATOM 0 H ALA A 47 29.123 19.667 33.031 1.00 0.00 H new ATOM 0 HA ALA A 47 31.763 20.966 33.353 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.676 21.131 30.870 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.587 19.440 31.417 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.113 20.279 30.877 1.00 0.00 H new ATOM 782 N PHE A 48 31.037 23.311 32.836 1.00 0.00 N ATOM 783 CA PHE A 48 30.668 24.726 32.948 1.00 0.00 C ATOM 784 C PHE A 48 31.499 25.588 31.992 1.00 0.00 C ATOM 785 O PHE A 48 32.729 25.505 32.001 1.00 0.00 O ATOM 786 CB PHE A 48 30.868 25.219 34.390 1.00 0.00 C ATOM 787 CG PHE A 48 30.419 24.274 35.487 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.055 24.143 35.807 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.372 23.514 36.186 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.642 23.253 36.814 1.00 0.00 C ATOM 791 CE2 PHE A 48 30.965 22.634 37.203 1.00 0.00 C ATOM 792 CZ PHE A 48 29.601 22.499 37.513 1.00 0.00 C ATOM 0 H PHE A 48 32.043 23.175 32.732 1.00 0.00 H new ATOM 0 HA PHE A 48 29.616 24.819 32.677 1.00 0.00 H new ATOM 0 HB2 PHE A 48 31.927 25.434 34.535 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.332 26.161 34.508 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.321 24.730 35.276 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.420 23.606 35.941 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.593 23.149 37.049 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.701 22.061 37.747 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.289 21.815 38.289 1.00 0.00 H new ATOM 802 N ALA A 49 30.849 26.437 31.196 1.00 0.00 N ATOM 803 CA ALA A 49 31.500 27.412 30.323 1.00 0.00 C ATOM 804 C ALA A 49 31.308 28.839 30.858 1.00 0.00 C ATOM 805 O ALA A 49 30.216 29.218 31.292 1.00 0.00 O ATOM 806 CB ALA A 49 30.990 27.248 28.888 1.00 0.00 C ATOM 0 H ALA A 49 29.831 26.466 31.140 1.00 0.00 H new ATOM 0 HA ALA A 49 32.574 27.228 30.313 1.00 0.00 H new ATOM 0 HB1 ALA A 49 31.479 27.978 28.242 1.00 0.00 H new ATOM 0 HB2 ALA A 49 31.215 26.242 28.534 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.912 27.408 28.864 1.00 0.00 H new ATOM 812 N PHE A 50 32.377 29.633 30.799 1.00 0.00 N ATOM 813 CA PHE A 50 32.419 31.019 31.263 1.00 0.00 C ATOM 814 C PHE A 50 33.002 31.932 30.185 1.00 0.00 C ATOM 815 O PHE A 50 34.006 31.595 29.550 1.00 0.00 O ATOM 816 CB PHE A 50 33.223 31.122 32.561 1.00 0.00 C ATOM 817 CG PHE A 50 32.581 30.475 33.772 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.792 29.111 34.046 1.00 0.00 C ATOM 819 CD2 PHE A 50 31.791 31.250 34.644 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.258 28.538 35.216 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.267 30.676 35.814 1.00 0.00 C ATOM 822 CZ PHE A 50 31.516 29.327 36.108 1.00 0.00 C ATOM 0 H PHE A 50 33.267 29.318 30.414 1.00 0.00 H new ATOM 0 HA PHE A 50 31.400 31.348 31.466 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.200 30.666 32.401 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.395 32.176 32.780 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.363 28.504 33.359 1.00 0.00 H new ATOM 0 HD2 PHE A 50 31.588 32.285 34.413 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.420 27.491 35.427 1.00 0.00 H new ATOM 0 HE2 PHE A 50 30.672 31.274 36.488 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.136 28.895 37.022 1.00 0.00 H new ATOM 832 N ILE A 51 32.372 33.093 29.985 1.00 0.00 N ATOM 833 CA ILE A 51 32.644 33.989 28.854 1.00 0.00 C ATOM 834 C ILE A 51 32.704 35.446 29.339 1.00 0.00 C ATOM 835 O ILE A 51 31.679 36.016 29.707 1.00 0.00 O ATOM 836 CB ILE A 51 31.590 33.800 27.731 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.281 32.330 27.344 1.00 0.00 C ATOM 838 CG2 ILE A 51 32.101 34.519 26.477 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.098 31.718 28.109 1.00 0.00 C ATOM 0 H ILE A 51 31.648 33.443 30.612 1.00 0.00 H new ATOM 0 HA ILE A 51 33.615 33.735 28.428 1.00 0.00 H new ATOM 0 HB ILE A 51 30.659 34.208 28.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.073 32.283 26.275 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.169 31.724 27.523 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.378 34.402 25.670 1.00 0.00 H new ATOM 0 HG22 ILE A 51 32.234 35.579 26.694 1.00 0.00 H new ATOM 0 HG23 ILE A 51 33.055 34.088 26.174 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.946 30.689 27.782 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.310 31.731 29.178 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.197 32.299 27.911 1.00 0.00 H new ATOM 851 N GLU A 52 33.890 36.053 29.356 1.00 0.00 N ATOM 852 CA GLU A 52 34.108 37.455 29.747 1.00 0.00 C ATOM 853 C GLU A 52 33.485 38.416 28.722 1.00 0.00 C ATOM 854 O GLU A 52 33.686 38.245 27.516 1.00 0.00 O ATOM 855 CB GLU A 52 35.617 37.716 29.917 1.00 0.00 C ATOM 856 CG GLU A 52 35.908 39.066 30.591 1.00 0.00 C ATOM 857 CD GLU A 52 37.381 39.510 30.478 1.00 0.00 C ATOM 858 OE1 GLU A 52 38.291 38.655 30.364 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.637 40.739 30.507 1.00 0.00 O ATOM 0 H GLU A 52 34.752 35.575 29.092 1.00 0.00 H new ATOM 0 HA GLU A 52 33.614 37.638 30.701 1.00 0.00 H new ATOM 0 HB2 GLU A 52 36.056 36.915 30.511 1.00 0.00 H new ATOM 0 HB3 GLU A 52 36.099 37.690 28.940 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.272 39.830 30.144 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.637 39.002 31.645 1.00 0.00 H new ATOM 866 N PHE A 53 32.744 39.427 29.188 1.00 0.00 N ATOM 867 CA PHE A 53 31.852 40.250 28.361 1.00 0.00 C ATOM 868 C PHE A 53 31.992 41.759 28.618 1.00 0.00 C ATOM 869 O PHE A 53 32.215 42.197 29.746 1.00 0.00 O ATOM 870 CB PHE A 53 30.401 39.783 28.570 1.00 0.00 C ATOM 871 CG PHE A 53 29.811 39.150 27.329 1.00 0.00 C ATOM 872 CD1 PHE A 53 30.272 37.897 26.893 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.830 39.832 26.589 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.761 37.330 25.713 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.297 39.250 25.426 1.00 0.00 C ATOM 876 CZ PHE A 53 28.773 38.009 24.978 1.00 0.00 C ATOM 0 H PHE A 53 32.747 39.702 30.170 1.00 0.00 H new ATOM 0 HA PHE A 53 32.146 40.109 27.321 1.00 0.00 H new ATOM 0 HB2 PHE A 53 30.368 39.066 29.390 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.788 40.634 28.866 1.00 0.00 H new ATOM 0 HD1 PHE A 53 31.020 37.369 27.465 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.486 40.803 26.914 1.00 0.00 H new ATOM 0 HE1 PHE A 53 30.127 36.373 25.371 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.519 39.759 24.876 1.00 0.00 H new ATOM 0 HZ PHE A 53 28.381 37.575 24.070 1.00 0.00 H new ATOM 886 N GLU A 54 31.836 42.562 27.562 1.00 0.00 N ATOM 887 CA GLU A 54 31.983 44.027 27.624 1.00 0.00 C ATOM 888 C GLU A 54 30.683 44.762 28.016 1.00 0.00 C ATOM 889 O GLU A 54 30.715 45.705 28.806 1.00 0.00 O ATOM 890 CB GLU A 54 32.499 44.516 26.257 1.00 0.00 C ATOM 891 CG GLU A 54 32.866 46.006 26.159 1.00 0.00 C ATOM 892 CD GLU A 54 34.220 46.377 26.804 1.00 0.00 C ATOM 893 OE1 GLU A 54 34.601 45.809 27.856 1.00 0.00 O ATOM 894 OE2 GLU A 54 34.914 47.273 26.263 1.00 0.00 O ATOM 0 H GLU A 54 31.602 42.216 26.631 1.00 0.00 H new ATOM 0 HA GLU A 54 32.694 44.262 28.416 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.379 43.929 25.994 1.00 0.00 H new ATOM 0 HB3 GLU A 54 31.737 44.302 25.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.888 46.293 25.108 1.00 0.00 H new ATOM 0 HG3 GLU A 54 32.079 46.593 26.633 1.00 0.00 H new ATOM 901 N ASP A 55 29.534 44.330 27.476 1.00 0.00 N ATOM 902 CA ASP A 55 28.253 45.057 27.518 1.00 0.00 C ATOM 903 C ASP A 55 27.126 44.218 28.150 1.00 0.00 C ATOM 904 O ASP A 55 26.349 43.562 27.457 1.00 0.00 O ATOM 905 CB ASP A 55 27.885 45.532 26.100 1.00 0.00 C ATOM 906 CG ASP A 55 28.906 46.508 25.494 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.194 47.557 26.116 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.384 46.253 24.360 1.00 0.00 O ATOM 0 H ASP A 55 29.467 43.439 26.983 1.00 0.00 H new ATOM 0 HA ASP A 55 28.374 45.928 28.162 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.793 44.664 25.447 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.908 46.014 26.129 1.00 0.00 H new ATOM 913 N ALA A 56 27.025 44.251 29.482 1.00 0.00 N ATOM 914 CA ALA A 56 26.094 43.423 30.259 1.00 0.00 C ATOM 915 C ALA A 56 24.604 43.620 29.891 1.00 0.00 C ATOM 916 O ALA A 56 23.870 42.638 29.782 1.00 0.00 O ATOM 917 CB ALA A 56 26.349 43.703 31.746 1.00 0.00 C ATOM 0 H ALA A 56 27.597 44.864 30.062 1.00 0.00 H new ATOM 0 HA ALA A 56 26.289 42.378 30.017 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.671 43.101 32.351 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.379 43.447 31.993 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.178 44.760 31.952 1.00 0.00 H new ATOM 923 N ARG A 57 24.139 44.861 29.673 1.00 0.00 N ATOM 924 CA ARG A 57 22.737 45.136 29.283 1.00 0.00 C ATOM 925 C ARG A 57 22.421 44.633 27.871 1.00 0.00 C ATOM 926 O ARG A 57 21.356 44.062 27.644 1.00 0.00 O ATOM 927 CB ARG A 57 22.421 46.637 29.462 1.00 0.00 C ATOM 928 CG ARG A 57 20.969 47.009 29.113 1.00 0.00 C ATOM 929 CD ARG A 57 20.764 47.368 27.628 1.00 0.00 C ATOM 930 NE ARG A 57 19.473 46.874 27.113 1.00 0.00 N ATOM 931 CZ ARG A 57 18.299 47.476 27.144 1.00 0.00 C ATOM 932 NH1 ARG A 57 18.112 48.650 27.678 1.00 0.00 N ATOM 933 NH2 ARG A 57 17.281 46.870 26.615 1.00 0.00 N ATOM 0 H ARG A 57 24.715 45.699 29.760 1.00 0.00 H new ATOM 0 HA ARG A 57 22.080 44.575 29.948 1.00 0.00 H new ATOM 0 HB2 ARG A 57 22.621 46.921 30.495 1.00 0.00 H new ATOM 0 HB3 ARG A 57 23.097 47.219 28.835 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.317 46.174 29.370 1.00 0.00 H new ATOM 0 HG3 ARG A 57 20.661 47.854 29.728 1.00 0.00 H new ATOM 0 HD2 ARG A 57 20.813 48.450 27.507 1.00 0.00 H new ATOM 0 HD3 ARG A 57 21.576 46.944 27.037 1.00 0.00 H new ATOM 0 HE ARG A 57 19.490 45.951 26.678 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.895 49.149 28.099 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.182 49.070 27.675 1.00 0.00 H new ATOM 0 HH21 ARG A 57 17.400 45.951 26.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.362 47.313 26.625 1.00 0.00 H new ATOM 947 N ASP A 58 23.342 44.829 26.931 1.00 0.00 N ATOM 948 CA ASP A 58 23.189 44.374 25.541 1.00 0.00 C ATOM 949 C ASP A 58 23.184 42.836 25.466 1.00 0.00 C ATOM 950 O ASP A 58 22.343 42.233 24.794 1.00 0.00 O ATOM 951 CB ASP A 58 24.320 44.989 24.695 1.00 0.00 C ATOM 952 CG ASP A 58 24.070 44.985 23.176 1.00 0.00 C ATOM 953 OD1 ASP A 58 22.954 44.658 22.709 1.00 0.00 O ATOM 954 OD2 ASP A 58 24.999 45.380 22.426 1.00 0.00 O ATOM 0 H ASP A 58 24.224 45.311 27.108 1.00 0.00 H new ATOM 0 HA ASP A 58 22.231 44.707 25.142 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.478 46.017 25.020 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.242 44.445 24.898 1.00 0.00 H new ATOM 959 N ALA A 59 24.059 42.192 26.249 1.00 0.00 N ATOM 960 CA ALA A 59 24.101 40.742 26.412 1.00 0.00 C ATOM 961 C ALA A 59 22.813 40.178 27.031 1.00 0.00 C ATOM 962 O ALA A 59 22.298 39.181 26.529 1.00 0.00 O ATOM 963 CB ALA A 59 25.323 40.383 27.264 1.00 0.00 C ATOM 0 H ALA A 59 24.770 42.678 26.796 1.00 0.00 H new ATOM 0 HA ALA A 59 24.182 40.286 25.425 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.370 39.302 27.396 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.229 40.727 26.764 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.241 40.864 28.239 1.00 0.00 H new ATOM 969 N ALA A 60 22.263 40.811 28.076 1.00 0.00 N ATOM 970 CA ALA A 60 21.091 40.316 28.804 1.00 0.00 C ATOM 971 C ALA A 60 19.863 40.082 27.900 1.00 0.00 C ATOM 972 O ALA A 60 19.190 39.055 28.026 1.00 0.00 O ATOM 973 CB ALA A 60 20.763 41.305 29.926 1.00 0.00 C ATOM 0 H ALA A 60 22.625 41.691 28.442 1.00 0.00 H new ATOM 0 HA ALA A 60 21.339 39.338 29.216 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.892 40.952 30.479 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.615 41.384 30.602 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.548 42.284 29.497 1.00 0.00 H new ATOM 979 N ASP A 61 19.605 40.980 26.946 1.00 0.00 N ATOM 980 CA ASP A 61 18.494 40.859 25.988 1.00 0.00 C ATOM 981 C ASP A 61 18.626 39.651 25.036 1.00 0.00 C ATOM 982 O ASP A 61 17.616 39.115 24.579 1.00 0.00 O ATOM 983 CB ASP A 61 18.365 42.161 25.181 1.00 0.00 C ATOM 984 CG ASP A 61 18.001 43.396 26.024 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.292 43.270 27.049 1.00 0.00 O ATOM 986 OD2 ASP A 61 18.370 44.526 25.625 1.00 0.00 O ATOM 0 H ASP A 61 20.165 41.822 26.812 1.00 0.00 H new ATOM 0 HA ASP A 61 17.592 40.684 26.574 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.308 42.351 24.668 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.605 42.024 24.412 1.00 0.00 H new ATOM 991 N ALA A 62 19.856 39.194 24.766 1.00 0.00 N ATOM 992 CA ALA A 62 20.141 37.975 24.006 1.00 0.00 C ATOM 993 C ALA A 62 20.261 36.723 24.897 1.00 0.00 C ATOM 994 O ALA A 62 19.885 35.630 24.482 1.00 0.00 O ATOM 995 CB ALA A 62 21.423 38.215 23.202 1.00 0.00 C ATOM 0 H ALA A 62 20.699 39.675 25.079 1.00 0.00 H new ATOM 0 HA ALA A 62 19.303 37.769 23.340 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.662 37.323 22.624 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.276 39.057 22.526 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.244 38.436 23.884 1.00 0.00 H new ATOM 1001 N ILE A 63 20.759 36.854 26.133 1.00 0.00 N ATOM 1002 CA ILE A 63 20.933 35.741 27.078 1.00 0.00 C ATOM 1003 C ILE A 63 19.583 35.226 27.602 1.00 0.00 C ATOM 1004 O ILE A 63 19.416 34.022 27.798 1.00 0.00 O ATOM 1005 CB ILE A 63 21.925 36.149 28.201 1.00 0.00 C ATOM 1006 CG1 ILE A 63 23.117 35.171 28.297 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.273 36.409 29.570 1.00 0.00 C ATOM 1008 CD1 ILE A 63 22.785 33.756 28.789 1.00 0.00 C ATOM 0 H ILE A 63 21.058 37.752 26.512 1.00 0.00 H new ATOM 0 HA ILE A 63 21.376 34.893 26.556 1.00 0.00 H new ATOM 0 HB ILE A 63 22.314 37.120 27.895 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.579 35.093 27.313 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.862 35.602 28.966 1.00 0.00 H new ATOM 0 HG21 ILE A 63 22.041 36.688 30.292 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.548 37.218 29.480 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.767 35.505 29.910 1.00 0.00 H new ATOM 0 HD11 ILE A 63 23.696 33.157 28.817 1.00 0.00 H new ATOM 0 HD12 ILE A 63 22.356 33.810 29.789 1.00 0.00 H new ATOM 0 HD13 ILE A 63 22.068 33.294 28.111 1.00 0.00 H new ATOM 1020 N LYS A 64 18.593 36.113 27.789 1.00 0.00 N ATOM 1021 CA LYS A 64 17.302 35.763 28.404 1.00 0.00 C ATOM 1022 C LYS A 64 16.443 34.804 27.572 1.00 0.00 C ATOM 1023 O LYS A 64 15.631 34.084 28.145 1.00 0.00 O ATOM 1024 CB LYS A 64 16.560 37.041 28.839 1.00 0.00 C ATOM 1025 CG LYS A 64 16.070 37.959 27.703 1.00 0.00 C ATOM 1026 CD LYS A 64 14.641 37.638 27.235 1.00 0.00 C ATOM 1027 CE LYS A 64 14.201 38.654 26.176 1.00 0.00 C ATOM 1028 NZ LYS A 64 12.795 38.424 25.750 1.00 0.00 N ATOM 0 H LYS A 64 18.665 37.094 27.518 1.00 0.00 H new ATOM 0 HA LYS A 64 17.520 35.180 29.299 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.699 36.750 29.441 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.221 37.618 29.486 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.111 38.995 28.039 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.750 37.872 26.856 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.601 36.630 26.823 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.957 37.663 28.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.301 39.663 26.575 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.860 38.587 25.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.530 39.129 25.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.706 37.470 25.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.164 38.512 26.572 1.00 0.00 H new ATOM 1042 N GLU A 65 16.645 34.707 26.254 1.00 0.00 N ATOM 1043 CA GLU A 65 15.981 33.671 25.436 1.00 0.00 C ATOM 1044 C GLU A 65 16.524 32.248 25.696 1.00 0.00 C ATOM 1045 O GLU A 65 15.871 31.271 25.321 1.00 0.00 O ATOM 1046 CB GLU A 65 15.997 34.040 23.939 1.00 0.00 C ATOM 1047 CG GLU A 65 17.398 34.195 23.322 1.00 0.00 C ATOM 1048 CD GLU A 65 17.564 33.623 21.897 1.00 0.00 C ATOM 1049 OE1 GLU A 65 16.985 32.559 21.568 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.357 34.201 21.111 1.00 0.00 O ATOM 0 H GLU A 65 17.259 35.328 25.727 1.00 0.00 H new ATOM 0 HA GLU A 65 14.939 33.646 25.756 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.456 33.273 23.385 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.452 34.974 23.805 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.651 35.255 23.301 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.120 33.707 23.977 1.00 0.00 H new ATOM 1057 N LYS A 66 17.686 32.101 26.358 1.00 0.00 N ATOM 1058 CA LYS A 66 18.235 30.817 26.843 1.00 0.00 C ATOM 1059 C LYS A 66 17.818 30.475 28.290 1.00 0.00 C ATOM 1060 O LYS A 66 18.290 29.474 28.831 1.00 0.00 O ATOM 1061 CB LYS A 66 19.776 30.801 26.728 1.00 0.00 C ATOM 1062 CG LYS A 66 20.423 31.114 25.368 1.00 0.00 C ATOM 1063 CD LYS A 66 19.978 30.221 24.196 1.00 0.00 C ATOM 1064 CE LYS A 66 18.773 30.853 23.496 1.00 0.00 C ATOM 1065 NZ LYS A 66 18.443 30.228 22.194 1.00 0.00 N ATOM 0 H LYS A 66 18.288 32.894 26.578 1.00 0.00 H new ATOM 0 HA LYS A 66 17.806 30.049 26.199 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.168 31.516 27.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.119 29.814 27.037 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.206 32.151 25.113 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.505 31.031 25.473 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.798 30.097 23.489 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.719 29.227 24.561 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.906 30.783 24.152 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.970 31.914 23.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.839 30.871 21.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.320 30.040 21.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.938 29.333 22.356 1.00 0.00 H new ATOM 1079 N ASP A 67 16.994 31.299 28.949 1.00 0.00 N ATOM 1080 CA ASP A 67 16.643 31.127 30.370 1.00 0.00 C ATOM 1081 C ASP A 67 15.779 29.875 30.670 1.00 0.00 C ATOM 1082 O ASP A 67 15.300 29.180 29.765 1.00 0.00 O ATOM 1083 CB ASP A 67 16.036 32.420 30.958 1.00 0.00 C ATOM 1084 CG ASP A 67 14.550 32.720 30.654 1.00 0.00 C ATOM 1085 OD1 ASP A 67 13.872 31.975 29.908 1.00 0.00 O ATOM 1086 OD2 ASP A 67 14.033 33.711 31.225 1.00 0.00 O ATOM 0 H ASP A 67 16.549 32.107 28.513 1.00 0.00 H new ATOM 0 HA ASP A 67 17.584 30.934 30.885 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.156 32.384 32.041 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.628 33.262 30.599 1.00 0.00 H new ATOM 1091 N GLY A 68 15.599 29.579 31.962 1.00 0.00 N ATOM 1092 CA GLY A 68 14.881 28.397 32.454 1.00 0.00 C ATOM 1093 C GLY A 68 15.744 27.133 32.397 1.00 0.00 C ATOM 1094 O GLY A 68 15.700 26.376 31.424 1.00 0.00 O ATOM 0 H GLY A 68 15.957 30.169 32.713 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.560 28.570 33.481 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.980 28.247 31.859 1.00 0.00 H new ATOM 1098 N CYS A 69 16.540 26.906 33.448 1.00 0.00 N ATOM 1099 CA CYS A 69 17.371 25.711 33.601 1.00 0.00 C ATOM 1100 C CYS A 69 16.533 24.420 33.733 1.00 0.00 C ATOM 1101 O CYS A 69 15.354 24.452 34.104 1.00 0.00 O ATOM 1102 CB CYS A 69 18.327 25.919 34.789 1.00 0.00 C ATOM 1103 SG CYS A 69 17.428 26.130 36.354 1.00 0.00 S ATOM 0 H CYS A 69 16.625 27.559 34.227 1.00 0.00 H new ATOM 0 HA CYS A 69 17.960 25.571 32.694 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.998 25.064 34.869 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.948 26.796 34.606 1.00 0.00 H new ATOM 0 HG CYS A 69 18.278 26.299 37.323 1.00 0.00 H new ATOM 1109 N ASP A 70 17.140 23.273 33.414 1.00 0.00 N ATOM 1110 CA ASP A 70 16.474 21.970 33.343 1.00 0.00 C ATOM 1111 C ASP A 70 17.401 20.810 33.761 1.00 0.00 C ATOM 1112 O ASP A 70 18.619 20.845 33.552 1.00 0.00 O ATOM 1113 CB ASP A 70 15.900 21.773 31.926 1.00 0.00 C ATOM 1114 CG ASP A 70 14.723 20.785 31.856 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.270 20.270 32.906 1.00 0.00 O ATOM 1116 OD2 ASP A 70 14.233 20.537 30.728 1.00 0.00 O ATOM 0 H ASP A 70 18.134 23.224 33.192 1.00 0.00 H new ATOM 0 HA ASP A 70 15.655 21.958 34.062 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.573 22.739 31.541 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.695 21.421 31.269 1.00 0.00 H new ATOM 1121 N PHE A 71 16.812 19.786 34.380 1.00 0.00 N ATOM 1122 CA PHE A 71 17.505 18.730 35.131 1.00 0.00 C ATOM 1123 C PHE A 71 16.698 17.410 35.123 1.00 0.00 C ATOM 1124 O PHE A 71 15.600 17.354 34.566 1.00 0.00 O ATOM 1125 CB PHE A 71 17.757 19.258 36.558 1.00 0.00 C ATOM 1126 CG PHE A 71 18.780 18.474 37.359 1.00 0.00 C ATOM 1127 CD1 PHE A 71 20.134 18.496 36.974 1.00 0.00 C ATOM 1128 CD2 PHE A 71 18.388 17.729 38.488 1.00 0.00 C ATOM 1129 CE1 PHE A 71 21.091 17.769 37.709 1.00 0.00 C ATOM 1130 CE2 PHE A 71 19.343 17.000 39.220 1.00 0.00 C ATOM 1131 CZ PHE A 71 20.694 17.020 38.831 1.00 0.00 C ATOM 0 H PHE A 71 15.800 19.662 34.374 1.00 0.00 H new ATOM 0 HA PHE A 71 18.459 18.491 34.661 1.00 0.00 H new ATOM 0 HB2 PHE A 71 18.086 20.295 36.493 1.00 0.00 H new ATOM 0 HB3 PHE A 71 16.813 19.256 37.102 1.00 0.00 H new ATOM 0 HD1 PHE A 71 20.440 19.072 36.113 1.00 0.00 H new ATOM 0 HD2 PHE A 71 17.352 17.717 38.793 1.00 0.00 H new ATOM 0 HE1 PHE A 71 22.129 17.787 37.411 1.00 0.00 H new ATOM 0 HE2 PHE A 71 19.038 16.424 40.082 1.00 0.00 H new ATOM 0 HZ PHE A 71 21.427 16.460 39.394 1.00 0.00 H new ATOM 1141 N GLU A 72 17.220 16.346 35.748 1.00 0.00 N ATOM 1142 CA GLU A 72 16.513 15.076 36.011 1.00 0.00 C ATOM 1143 C GLU A 72 15.934 14.413 34.735 1.00 0.00 C ATOM 1144 O GLU A 72 14.719 14.309 34.538 1.00 0.00 O ATOM 1145 CB GLU A 72 15.495 15.279 37.155 1.00 0.00 C ATOM 1146 CG GLU A 72 14.958 13.959 37.731 1.00 0.00 C ATOM 1147 CD GLU A 72 14.091 14.171 38.992 1.00 0.00 C ATOM 1148 OE1 GLU A 72 13.320 15.160 39.070 1.00 0.00 O ATOM 1149 OE2 GLU A 72 14.158 13.324 39.918 1.00 0.00 O ATOM 0 H GLU A 72 18.178 16.341 36.098 1.00 0.00 H new ATOM 0 HA GLU A 72 17.239 14.338 36.352 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.966 15.851 37.954 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.659 15.874 36.787 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.368 13.448 36.970 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.796 13.306 37.976 1.00 0.00 H new ATOM 1156 N GLY A 73 16.831 13.996 33.831 1.00 0.00 N ATOM 1157 CA GLY A 73 16.512 13.462 32.494 1.00 0.00 C ATOM 1158 C GLY A 73 16.719 14.470 31.353 1.00 0.00 C ATOM 1159 O GLY A 73 16.813 14.082 30.186 1.00 0.00 O ATOM 0 H GLY A 73 17.834 14.021 34.014 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.132 12.585 32.307 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.475 13.127 32.486 1.00 0.00 H new ATOM 1163 N ASN A 74 16.872 15.753 31.694 1.00 0.00 N ATOM 1164 CA ASN A 74 17.403 16.827 30.847 1.00 0.00 C ATOM 1165 C ASN A 74 18.646 17.448 31.516 1.00 0.00 C ATOM 1166 O ASN A 74 18.898 17.203 32.698 1.00 0.00 O ATOM 1167 CB ASN A 74 16.292 17.857 30.580 1.00 0.00 C ATOM 1168 CG ASN A 74 15.164 17.284 29.731 1.00 0.00 C ATOM 1169 OD1 ASN A 74 14.185 16.735 30.221 1.00 0.00 O ATOM 1170 ND2 ASN A 74 15.270 17.372 28.422 1.00 0.00 N ATOM 0 H ASN A 74 16.614 16.090 32.622 1.00 0.00 H new ATOM 0 HA ASN A 74 17.723 16.435 29.882 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.887 18.206 31.530 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.718 18.725 30.077 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.540 16.985 27.824 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.082 17.828 28.006 1.00 0.00 H new ATOM 1177 N LYS A 75 19.449 18.215 30.766 1.00 0.00 N ATOM 1178 CA LYS A 75 20.748 18.733 31.234 1.00 0.00 C ATOM 1179 C LYS A 75 21.096 20.065 30.544 1.00 0.00 C ATOM 1180 O LYS A 75 21.581 20.071 29.413 1.00 0.00 O ATOM 1181 CB LYS A 75 21.818 17.626 31.018 1.00 0.00 C ATOM 1182 CG LYS A 75 22.823 17.454 32.170 1.00 0.00 C ATOM 1183 CD LYS A 75 22.233 16.958 33.505 1.00 0.00 C ATOM 1184 CE LYS A 75 21.514 15.600 33.424 1.00 0.00 C ATOM 1185 NZ LYS A 75 22.439 14.477 33.108 1.00 0.00 N ATOM 0 H LYS A 75 19.218 18.496 29.813 1.00 0.00 H new ATOM 0 HA LYS A 75 20.709 18.966 32.298 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.308 16.676 30.857 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.370 17.850 30.105 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.595 16.753 31.852 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.314 18.411 32.345 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.037 16.885 34.237 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.531 17.704 33.876 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.017 15.400 34.373 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.737 15.650 32.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.903 13.587 33.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.895 14.651 32.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.167 14.408 33.848 1.00 0.00 H new ATOM 1199 N LEU A 76 20.783 21.188 31.204 1.00 0.00 N ATOM 1200 CA LEU A 76 21.167 22.559 30.812 1.00 0.00 C ATOM 1201 C LEU A 76 20.912 23.545 31.968 1.00 0.00 C ATOM 1202 O LEU A 76 19.851 23.511 32.590 1.00 0.00 O ATOM 1203 CB LEU A 76 20.360 23.016 29.567 1.00 0.00 C ATOM 1204 CG LEU A 76 21.196 23.145 28.280 1.00 0.00 C ATOM 1205 CD1 LEU A 76 20.276 23.337 27.073 1.00 0.00 C ATOM 1206 CD2 LEU A 76 22.161 24.334 28.340 1.00 0.00 C ATOM 0 H LEU A 76 20.232 21.170 32.062 1.00 0.00 H new ATOM 0 HA LEU A 76 22.230 22.552 30.572 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.552 22.305 29.392 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.896 23.979 29.783 1.00 0.00 H new ATOM 0 HG LEU A 76 21.774 22.226 28.184 1.00 0.00 H new ATOM 0 HD11 LEU A 76 20.877 23.427 26.168 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.610 22.478 26.983 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.684 24.242 27.207 1.00 0.00 H new ATOM 0 HD21 LEU A 76 22.731 24.388 27.412 1.00 0.00 H new ATOM 0 HD22 LEU A 76 21.595 25.256 28.472 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.845 24.205 29.179 1.00 0.00 H new ATOM 1218 N ARG A 77 21.835 24.477 32.221 1.00 0.00 N ATOM 1219 CA ARG A 77 21.688 25.569 33.202 1.00 0.00 C ATOM 1220 C ARG A 77 22.319 26.865 32.681 1.00 0.00 C ATOM 1221 O ARG A 77 23.389 26.844 32.081 1.00 0.00 O ATOM 1222 CB ARG A 77 22.243 25.103 34.564 1.00 0.00 C ATOM 1223 CG ARG A 77 22.182 26.172 35.671 1.00 0.00 C ATOM 1224 CD ARG A 77 22.290 25.566 37.078 1.00 0.00 C ATOM 1225 NE ARG A 77 21.025 24.910 37.484 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.623 24.645 38.715 1.00 0.00 C ATOM 1227 NH1 ARG A 77 21.386 24.820 39.752 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.423 24.188 38.932 1.00 0.00 N ATOM 0 H ARG A 77 22.733 24.498 31.738 1.00 0.00 H new ATOM 0 HA ARG A 77 20.635 25.807 33.350 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.684 24.226 34.890 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.279 24.790 34.434 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.990 26.889 35.524 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.246 26.724 35.587 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.102 24.839 37.101 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.542 26.348 37.794 1.00 0.00 H new ATOM 0 HE ARG A 77 20.395 24.632 36.731 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.335 25.175 39.633 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.036 24.603 40.685 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.787 24.033 38.150 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.119 23.985 39.884 1.00 0.00 H new ATOM 1242 N VAL A 78 21.642 27.991 32.901 1.00 0.00 N ATOM 1243 CA VAL A 78 22.003 29.316 32.368 1.00 0.00 C ATOM 1244 C VAL A 78 21.673 30.387 33.410 1.00 0.00 C ATOM 1245 O VAL A 78 20.527 30.476 33.857 1.00 0.00 O ATOM 1246 CB VAL A 78 21.246 29.604 31.048 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.578 30.996 30.497 1.00 0.00 C ATOM 1248 CG2 VAL A 78 21.553 28.569 29.957 1.00 0.00 C ATOM 0 H VAL A 78 20.798 28.013 33.473 1.00 0.00 H new ATOM 0 HA VAL A 78 23.072 29.331 32.154 1.00 0.00 H new ATOM 0 HB VAL A 78 20.188 29.549 31.303 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.028 31.161 29.571 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.294 31.754 31.228 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.648 31.064 30.301 1.00 0.00 H new ATOM 0 HG21 VAL A 78 20.997 28.817 29.053 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.621 28.576 29.739 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.259 27.578 30.303 1.00 0.00 H new ATOM 1258 N GLU A 79 22.652 31.210 33.784 1.00 0.00 N ATOM 1259 CA GLU A 79 22.463 32.356 34.685 1.00 0.00 C ATOM 1260 C GLU A 79 23.577 33.394 34.490 1.00 0.00 C ATOM 1261 O GLU A 79 24.760 33.054 34.494 1.00 0.00 O ATOM 1262 CB GLU A 79 22.393 31.874 36.149 1.00 0.00 C ATOM 1263 CG GLU A 79 22.219 33.023 37.154 1.00 0.00 C ATOM 1264 CD GLU A 79 21.722 32.513 38.520 1.00 0.00 C ATOM 1265 OE1 GLU A 79 20.573 32.016 38.609 1.00 0.00 O ATOM 1266 OE2 GLU A 79 22.465 32.631 39.524 1.00 0.00 O ATOM 0 H GLU A 79 23.615 31.101 33.467 1.00 0.00 H new ATOM 0 HA GLU A 79 21.518 32.842 34.441 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.562 31.176 36.256 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.303 31.325 36.388 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.169 33.541 37.283 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.510 33.750 36.757 1.00 0.00 H new ATOM 1273 N VAL A 80 23.219 34.674 34.342 1.00 0.00 N ATOM 1274 CA VAL A 80 24.191 35.779 34.276 1.00 0.00 C ATOM 1275 C VAL A 80 24.359 36.434 35.654 1.00 0.00 C ATOM 1276 O VAL A 80 23.445 37.134 36.098 1.00 0.00 O ATOM 1277 CB VAL A 80 23.830 36.809 33.187 1.00 0.00 C ATOM 1278 CG1 VAL A 80 24.282 36.271 31.827 1.00 0.00 C ATOM 1279 CG2 VAL A 80 22.339 37.172 33.098 1.00 0.00 C ATOM 0 H VAL A 80 22.248 34.977 34.264 1.00 0.00 H new ATOM 0 HA VAL A 80 25.153 35.356 33.986 1.00 0.00 H new ATOM 0 HB VAL A 80 24.346 37.727 33.468 1.00 0.00 H new ATOM 0 HG11 VAL A 80 24.031 36.992 31.049 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.360 36.110 31.839 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.777 35.327 31.623 1.00 0.00 H new ATOM 0 HG21 VAL A 80 22.189 37.902 32.303 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.759 36.275 32.881 1.00 0.00 H new ATOM 0 HG23 VAL A 80 22.011 37.596 34.047 1.00 0.00 H new ATOM 1289 N PRO A 81 25.506 36.263 36.349 1.00 0.00 N ATOM 1290 CA PRO A 81 25.697 36.793 37.706 1.00 0.00 C ATOM 1291 C PRO A 81 25.697 38.333 37.765 1.00 0.00 C ATOM 1292 O PRO A 81 25.391 38.910 38.809 1.00 0.00 O ATOM 1293 CB PRO A 81 27.026 36.196 38.190 1.00 0.00 C ATOM 1294 CG PRO A 81 27.798 35.926 36.902 1.00 0.00 C ATOM 1295 CD PRO A 81 26.691 35.523 35.932 1.00 0.00 C ATOM 0 HA PRO A 81 24.865 36.511 38.351 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.562 36.888 38.839 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.869 35.281 38.761 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.337 36.809 36.559 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.535 35.133 37.029 1.00 0.00 H new ATOM 0 HD2 PRO A 81 26.963 35.768 34.905 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.513 34.448 35.967 1.00 0.00 H new ATOM 1303 N PHE A 82 25.988 39.007 36.646 1.00 0.00 N ATOM 1304 CA PHE A 82 25.864 40.463 36.497 1.00 0.00 C ATOM 1305 C PHE A 82 24.408 40.954 36.353 1.00 0.00 C ATOM 1306 O PHE A 82 24.139 42.127 36.608 1.00 0.00 O ATOM 1307 CB PHE A 82 26.718 40.908 35.297 1.00 0.00 C ATOM 1308 CG PHE A 82 26.360 40.291 33.952 1.00 0.00 C ATOM 1309 CD1 PHE A 82 25.260 40.774 33.219 1.00 0.00 C ATOM 1310 CD2 PHE A 82 27.154 39.268 33.403 1.00 0.00 C ATOM 1311 CE1 PHE A 82 24.966 40.258 31.945 1.00 0.00 C ATOM 1312 CE2 PHE A 82 26.876 38.767 32.117 1.00 0.00 C ATOM 1313 CZ PHE A 82 25.790 39.270 31.382 1.00 0.00 C ATOM 0 H PHE A 82 26.324 38.546 35.800 1.00 0.00 H new ATOM 0 HA PHE A 82 26.227 40.921 37.417 1.00 0.00 H new ATOM 0 HB2 PHE A 82 26.644 41.992 35.207 1.00 0.00 H new ATOM 0 HB3 PHE A 82 27.761 40.676 35.514 1.00 0.00 H new ATOM 0 HD1 PHE A 82 24.636 41.549 33.639 1.00 0.00 H new ATOM 0 HD2 PHE A 82 27.980 38.865 33.970 1.00 0.00 H new ATOM 0 HE1 PHE A 82 24.107 40.621 31.400 1.00 0.00 H new ATOM 0 HE2 PHE A 82 27.500 37.993 31.694 1.00 0.00 H new ATOM 0 HZ PHE A 82 25.589 38.898 30.388 1.00 0.00 H new ATOM 1323 N ASN A 83 23.479 40.079 35.943 1.00 0.00 N ATOM 1324 CA ASN A 83 22.092 40.361 35.524 1.00 0.00 C ATOM 1325 C ASN A 83 21.975 41.339 34.329 1.00 0.00 C ATOM 1326 O ASN A 83 21.610 40.913 33.233 1.00 0.00 O ATOM 1327 CB ASN A 83 21.201 40.761 36.723 1.00 0.00 C ATOM 1328 CG ASN A 83 20.974 39.721 37.818 1.00 0.00 C ATOM 1329 OD1 ASN A 83 20.303 39.997 38.802 1.00 0.00 O ATOM 1330 ND2 ASN A 83 21.474 38.505 37.728 1.00 0.00 N ATOM 0 H ASN A 83 23.689 39.082 35.890 1.00 0.00 H new ATOM 0 HA ASN A 83 21.704 39.419 35.137 1.00 0.00 H new ATOM 0 HB2 ASN A 83 21.639 41.645 37.186 1.00 0.00 H new ATOM 0 HB3 ASN A 83 20.227 41.055 36.333 1.00 0.00 H new ATOM 0 HD21 ASN A 83 21.297 37.825 38.467 1.00 0.00 H new ATOM 0 HD22 ASN A 83 22.038 38.244 36.919 1.00 0.00 H new ATOM 1337 N ALA A 84 22.291 42.624 34.521 1.00 0.00 N ATOM 1338 CA ALA A 84 22.324 43.686 33.504 1.00 0.00 C ATOM 1339 C ALA A 84 23.174 44.889 33.981 1.00 0.00 C ATOM 1340 O ALA A 84 23.485 45.005 35.169 1.00 0.00 O ATOM 1341 CB ALA A 84 20.884 44.129 33.196 1.00 0.00 C ATOM 0 H ALA A 84 22.546 42.974 35.445 1.00 0.00 H new ATOM 0 HA ALA A 84 22.789 43.297 32.598 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.899 44.917 32.443 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.314 43.279 32.821 1.00 0.00 H new ATOM 0 HB3 ALA A 84 20.417 44.506 34.106 1.00 0.00 H new ATOM 1347 N ARG A 85 23.529 45.814 33.073 1.00 0.00 N ATOM 1348 CA ARG A 85 24.266 47.066 33.384 1.00 0.00 C ATOM 1349 C ARG A 85 23.355 48.157 33.991 1.00 0.00 C ATOM 1350 O ARG A 85 23.300 49.287 33.507 1.00 0.00 O ATOM 1351 CB ARG A 85 25.041 47.544 32.135 1.00 0.00 C ATOM 1352 CG ARG A 85 26.243 48.471 32.409 1.00 0.00 C ATOM 1353 CD ARG A 85 27.444 47.789 33.091 1.00 0.00 C ATOM 1354 NE ARG A 85 27.346 47.755 34.568 1.00 0.00 N ATOM 1355 CZ ARG A 85 27.638 48.731 35.410 1.00 0.00 C ATOM 1356 NH1 ARG A 85 28.040 49.904 35.006 1.00 0.00 N ATOM 1357 NH2 ARG A 85 27.534 48.548 36.695 1.00 0.00 N ATOM 0 H ARG A 85 23.311 45.717 32.081 1.00 0.00 H new ATOM 0 HA ARG A 85 24.996 46.851 34.164 1.00 0.00 H new ATOM 0 HB2 ARG A 85 25.397 46.668 31.594 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.346 48.065 31.476 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.576 48.900 31.464 1.00 0.00 H new ATOM 0 HG3 ARG A 85 25.910 49.299 33.035 1.00 0.00 H new ATOM 0 HD2 ARG A 85 27.532 46.769 32.717 1.00 0.00 H new ATOM 0 HD3 ARG A 85 28.357 48.312 32.808 1.00 0.00 H new ATOM 0 HE ARG A 85 27.017 46.882 34.981 1.00 0.00 H new ATOM 0 HH11 ARG A 85 28.139 50.094 34.009 1.00 0.00 H new ATOM 0 HH12 ARG A 85 28.256 50.632 35.687 1.00 0.00 H new ATOM 0 HH21 ARG A 85 27.225 47.646 37.058 1.00 0.00 H new ATOM 0 HH22 ARG A 85 27.761 49.306 37.338 1.00 0.00 H new ATOM 1371 N GLU A 86 22.599 47.799 35.032 1.00 0.00 N ATOM 1372 CA GLU A 86 21.563 48.625 35.687 1.00 0.00 C ATOM 1373 C GLU A 86 21.495 48.404 37.209 1.00 0.00 C ATOM 1374 O GLU A 86 21.664 49.391 37.958 1.00 0.00 O ATOM 1375 CB GLU A 86 20.209 48.373 34.996 1.00 0.00 C ATOM 1376 CG GLU A 86 19.080 49.255 35.555 1.00 0.00 C ATOM 1377 CD GLU A 86 17.769 49.149 34.740 1.00 0.00 C ATOM 1378 OE1 GLU A 86 17.375 48.031 34.319 1.00 0.00 O ATOM 1379 OE2 GLU A 86 17.095 50.191 34.531 1.00 0.00 O ATOM 1380 OXT GLU A 86 21.296 47.246 37.649 1.00 0.00 O ATOM 0 H GLU A 86 22.692 46.881 35.468 1.00 0.00 H new ATOM 0 HA GLU A 86 21.832 49.675 35.569 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.312 48.558 33.927 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.936 47.324 35.113 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.883 48.971 36.589 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.410 50.294 35.568 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.296 23.037 41.719 1.00 0.00 O ATOM 1389 C5' A B 101 23.947 22.643 40.514 1.00 0.00 C ATOM 1390 C4' A B 101 24.930 23.705 39.986 1.00 0.00 C ATOM 1391 O4' A B 101 24.239 24.898 39.602 1.00 0.00 O ATOM 1392 C3' A B 101 26.014 24.095 41.016 1.00 0.00 C ATOM 1393 O3' A B 101 27.254 24.127 40.312 1.00 0.00 O ATOM 1394 C2' A B 101 25.483 25.473 41.461 1.00 0.00 C ATOM 1395 O2' A B 101 26.413 26.358 42.073 1.00 0.00 O ATOM 1396 C1' A B 101 24.982 25.987 40.120 1.00 0.00 C ATOM 1397 N9 A B 101 24.221 27.261 40.188 1.00 0.00 N ATOM 1398 C8 A B 101 24.473 28.386 39.446 1.00 0.00 C ATOM 1399 N7 A B 101 23.690 29.400 39.704 1.00 0.00 N ATOM 1400 C5 A B 101 22.878 28.914 40.736 1.00 0.00 C ATOM 1401 C6 A B 101 21.847 29.472 41.540 1.00 0.00 C ATOM 1402 N6 A B 101 21.397 30.709 41.456 1.00 0.00 N ATOM 1403 N1 A B 101 21.243 28.754 42.488 1.00 0.00 N ATOM 1404 C2 A B 101 21.636 27.498 42.655 1.00 0.00 C ATOM 1405 N3 A B 101 22.579 26.838 41.988 1.00 0.00 N ATOM 1406 C4 A B 101 23.183 27.609 41.034 1.00 0.00 C ATOM 0 H5' A B 101 23.195 22.440 39.751 1.00 0.00 H new ATOM 0 H5'' A B 101 24.486 21.711 40.686 1.00 0.00 H new ATOM 0 H4' A B 101 25.417 23.245 39.126 1.00 0.00 H new ATOM 0 H3' A B 101 26.187 23.443 41.872 1.00 0.00 H new ATOM 0 H2' A B 101 24.754 25.400 42.268 1.00 0.00 H new ATOM 0 HO2' A B 101 27.087 25.839 42.559 1.00 0.00 H new ATOM 0 HO5' A B 101 22.684 22.328 42.007 1.00 0.00 H new ATOM 0 H1' A B 101 25.805 26.277 39.467 1.00 0.00 H new ATOM 0 H8 A B 101 25.258 28.431 38.706 1.00 0.00 H new ATOM 0 H61 A B 101 20.651 31.024 42.077 1.00 0.00 H new ATOM 0 H62 A B 101 21.795 31.351 40.770 1.00 0.00 H new ATOM 0 H2 A B 101 21.127 26.942 43.429 1.00 0.00 H new ATOM 1419 P C B 102 28.675 24.213 41.057 1.00 0.00 P ATOM 1420 OP1 C B 102 29.337 22.892 40.952 1.00 0.00 O ATOM 1421 OP2 C B 102 28.490 24.814 42.400 1.00 0.00 O ATOM 1422 O5' C B 102 29.477 25.273 40.147 1.00 0.00 O ATOM 1423 C5' C B 102 28.876 26.502 39.769 1.00 0.00 C ATOM 1424 C4' C B 102 29.882 27.492 39.172 1.00 0.00 C ATOM 1425 O4' C B 102 29.189 28.695 38.836 1.00 0.00 O ATOM 1426 C3' C B 102 30.967 27.908 40.165 1.00 0.00 C ATOM 1427 O3' C B 102 32.093 28.430 39.472 1.00 0.00 O ATOM 1428 C2' C B 102 30.226 29.018 40.921 1.00 0.00 C ATOM 1429 O2' C B 102 31.111 29.868 41.645 1.00 0.00 O ATOM 1430 C1' C B 102 29.481 29.732 39.779 1.00 0.00 C ATOM 1431 N1 C B 102 28.224 30.504 40.092 1.00 0.00 N ATOM 1432 C2 C B 102 27.988 31.120 41.345 1.00 0.00 C ATOM 1433 O2 C B 102 28.769 31.059 42.293 1.00 0.00 O ATOM 1434 N3 C B 102 26.859 31.838 41.563 1.00 0.00 N ATOM 1435 C4 C B 102 25.990 31.975 40.587 1.00 0.00 C ATOM 1436 N4 C B 102 24.922 32.657 40.893 1.00 0.00 N ATOM 1437 C5 C B 102 26.194 31.450 39.285 1.00 0.00 C ATOM 1438 C6 C B 102 27.320 30.724 39.074 1.00 0.00 C ATOM 0 H5' C B 102 28.402 26.953 40.640 1.00 0.00 H new ATOM 0 H5'' C B 102 28.088 26.308 39.042 1.00 0.00 H new ATOM 0 H4' C B 102 30.341 26.994 38.318 1.00 0.00 H new ATOM 0 H3' C B 102 31.358 27.109 40.794 1.00 0.00 H new ATOM 0 H2' C B 102 29.559 28.656 41.703 1.00 0.00 H new ATOM 0 HO2' C B 102 30.593 30.551 42.119 1.00 0.00 H new ATOM 0 H1' C B 102 30.136 30.532 39.435 1.00 0.00 H new ATOM 0 H41 C B 102 24.197 32.810 40.192 1.00 0.00 H new ATOM 0 H42 C B 102 24.812 33.037 41.833 1.00 0.00 H new ATOM 0 H5 C B 102 25.480 31.622 38.493 1.00 0.00 H new ATOM 0 H6 C B 102 27.512 30.312 38.094 1.00 0.00 H new ATOM 1450 P A B 103 33.339 27.508 39.115 1.00 0.00 P ATOM 1451 OP1 A B 103 32.974 26.592 38.010 1.00 0.00 O ATOM 1452 OP2 A B 103 33.914 26.948 40.362 1.00 0.00 O ATOM 1453 O5' A B 103 34.383 28.558 38.492 1.00 0.00 O ATOM 1454 C5' A B 103 34.898 29.628 39.265 1.00 0.00 C ATOM 1455 C4' A B 103 35.881 30.471 38.432 1.00 0.00 C ATOM 1456 O4' A B 103 35.191 31.139 37.385 1.00 0.00 O ATOM 1457 C3' A B 103 36.612 31.529 39.291 1.00 0.00 C ATOM 1458 O3' A B 103 38.033 31.404 39.379 1.00 0.00 O ATOM 1459 C2' A B 103 36.200 32.878 38.655 1.00 0.00 C ATOM 1460 O2' A B 103 37.217 33.510 37.869 1.00 0.00 O ATOM 1461 C1' A B 103 35.040 32.510 37.716 1.00 0.00 C ATOM 1462 N9 A B 103 33.664 32.804 38.210 1.00 0.00 N ATOM 1463 C8 A B 103 32.601 33.166 37.419 1.00 0.00 C ATOM 1464 N7 A B 103 31.510 33.484 38.061 1.00 0.00 N ATOM 1465 C5 A B 103 31.869 33.280 39.402 1.00 0.00 C ATOM 1466 C6 A B 103 31.191 33.413 40.638 1.00 0.00 C ATOM 1467 N6 A B 103 29.934 33.791 40.772 1.00 0.00 N ATOM 1468 N1 A B 103 31.804 33.177 41.795 1.00 0.00 N ATOM 1469 C2 A B 103 33.073 32.797 41.749 1.00 0.00 C ATOM 1470 N3 A B 103 33.842 32.630 40.674 1.00 0.00 N ATOM 1471 C4 A B 103 33.177 32.876 39.508 1.00 0.00 C ATOM 0 H5' A B 103 35.403 29.236 40.148 1.00 0.00 H new ATOM 0 H5'' A B 103 34.080 30.256 39.618 1.00 0.00 H new ATOM 0 H4' A B 103 36.621 29.782 38.024 1.00 0.00 H new ATOM 0 H3' A B 103 36.318 31.413 40.334 1.00 0.00 H new ATOM 0 H2' A B 103 35.965 33.588 39.448 1.00 0.00 H new ATOM 0 HO2' A B 103 37.265 33.080 36.990 1.00 0.00 H new ATOM 0 H1' A B 103 35.116 33.161 36.845 1.00 0.00 H new ATOM 0 H8 A B 103 32.664 33.186 36.341 1.00 0.00 H new ATOM 0 H61 A B 103 29.519 33.862 41.701 1.00 0.00 H new ATOM 0 H62 A B 103 29.377 34.012 39.946 1.00 0.00 H new ATOM 0 H2 A B 103 33.542 32.598 42.701 1.00 0.00 H new ATOM 1483 P U B 104 38.770 30.021 39.759 1.00 0.00 P ATOM 1484 OP1 U B 104 37.848 29.188 40.566 1.00 0.00 O ATOM 1485 OP2 U B 104 40.105 30.328 40.321 1.00 0.00 O ATOM 1486 O5' U B 104 38.949 29.314 38.316 1.00 0.00 O ATOM 1487 C5' U B 104 39.889 29.805 37.370 1.00 0.00 C ATOM 1488 C4' U B 104 39.526 29.348 35.949 1.00 0.00 C ATOM 1489 O4' U B 104 38.415 30.092 35.449 1.00 0.00 O ATOM 1490 C3' U B 104 40.658 29.561 34.942 1.00 0.00 C ATOM 1491 O3' U B 104 41.621 28.517 35.014 1.00 0.00 O ATOM 1492 C2' U B 104 39.876 29.599 33.616 1.00 0.00 C ATOM 1493 O2' U B 104 39.643 28.297 33.078 1.00 0.00 O ATOM 1494 C1' U B 104 38.505 30.148 34.030 1.00 0.00 C ATOM 1495 N1 U B 104 38.146 31.500 33.504 1.00 0.00 N ATOM 1496 C2 U B 104 38.888 32.633 33.876 1.00 0.00 C ATOM 1497 O2 U B 104 39.983 32.594 34.432 1.00 0.00 O ATOM 1498 N3 U B 104 38.354 33.866 33.553 1.00 0.00 N ATOM 1499 C4 U B 104 37.177 34.084 32.879 1.00 0.00 C ATOM 1500 O4 U B 104 36.775 35.225 32.691 1.00 0.00 O ATOM 1501 C5 U B 104 36.514 32.878 32.442 1.00 0.00 C ATOM 1502 C6 U B 104 36.992 31.645 32.760 1.00 0.00 C ATOM 0 H5' U B 104 40.888 29.451 37.626 1.00 0.00 H new ATOM 0 H5'' U B 104 39.917 30.894 37.410 1.00 0.00 H new ATOM 0 H4' U B 104 39.306 28.284 36.042 1.00 0.00 H new ATOM 0 H3' U B 104 41.260 30.456 35.103 1.00 0.00 H new ATOM 0 H2' U B 104 40.421 30.173 32.867 1.00 0.00 H new ATOM 0 HO2' U B 104 40.499 27.882 32.844 1.00 0.00 H new ATOM 0 H1' U B 104 37.760 29.508 33.557 1.00 0.00 H new ATOM 0 H3 U B 104 38.882 34.690 33.841 1.00 0.00 H new ATOM 0 H5 U B 104 35.616 32.957 31.848 1.00 0.00 H new ATOM 0 H6 U B 104 36.461 30.766 32.426 1.00 0.00 H new ATOM 1513 P C B 105 42.869 28.447 34.004 1.00 0.00 P ATOM 1514 OP1 C B 105 43.193 29.803 33.497 1.00 0.00 O ATOM 1515 OP2 C B 105 42.547 27.389 33.018 1.00 0.00 O ATOM 1516 O5' C B 105 44.094 27.897 34.910 1.00 0.00 O ATOM 1517 C5' C B 105 44.335 28.321 36.251 1.00 0.00 C ATOM 1518 C4' C B 105 45.058 29.667 36.406 1.00 0.00 C ATOM 1519 O4' C B 105 44.268 30.769 35.990 1.00 0.00 O ATOM 1520 C3' C B 105 45.332 29.966 37.879 1.00 0.00 C ATOM 1521 O3' C B 105 46.427 29.233 38.415 1.00 0.00 O ATOM 1522 C2' C B 105 45.576 31.488 37.850 1.00 0.00 C ATOM 1523 O2' C B 105 46.932 31.815 37.575 1.00 0.00 O ATOM 1524 C1' C B 105 44.730 31.942 36.646 1.00 0.00 C ATOM 1525 N1 C B 105 43.553 32.818 36.930 1.00 0.00 N ATOM 1526 C2 C B 105 42.574 32.441 37.868 1.00 0.00 C ATOM 1527 O2 C B 105 42.758 31.540 38.680 1.00 0.00 O ATOM 1528 N3 C B 105 41.385 33.091 37.921 1.00 0.00 N ATOM 1529 C4 C B 105 41.165 34.081 37.087 1.00 0.00 C ATOM 1530 N4 C B 105 39.973 34.606 37.132 1.00 0.00 N ATOM 1531 C5 C B 105 42.141 34.565 36.175 1.00 0.00 C ATOM 1532 C6 C B 105 43.324 33.902 36.119 1.00 0.00 C ATOM 0 H5' C B 105 44.923 27.554 36.755 1.00 0.00 H new ATOM 0 H5'' C B 105 43.379 28.382 36.770 1.00 0.00 H new ATOM 0 H4' C B 105 45.959 29.565 35.801 1.00 0.00 H new ATOM 0 H3' C B 105 44.518 29.666 38.538 1.00 0.00 H new ATOM 0 H2' C B 105 45.330 31.950 38.806 1.00 0.00 H new ATOM 0 HO2' C B 105 47.499 31.036 37.753 1.00 0.00 H new ATOM 0 H1' C B 105 45.391 32.569 36.047 1.00 0.00 H new ATOM 0 H41 C B 105 39.733 35.379 36.512 1.00 0.00 H new ATOM 0 H42 C B 105 39.281 34.244 37.787 1.00 0.00 H new ATOM 0 H5 C B 105 41.949 35.426 35.551 1.00 0.00 H new ATOM 0 H6 C B 105 44.090 34.229 35.432 1.00 0.00 H new ATOM 1544 P A B 106 46.351 28.577 39.878 1.00 0.00 P ATOM 1545 OP1 A B 106 47.648 27.901 40.118 1.00 0.00 O ATOM 1546 OP2 A B 106 45.105 27.776 39.970 1.00 0.00 O ATOM 1547 O5' A B 106 46.259 29.816 40.903 1.00 0.00 O ATOM 1548 C5' A B 106 45.018 30.417 41.256 1.00 0.00 C ATOM 1549 C4' A B 106 45.233 31.745 41.989 1.00 0.00 C ATOM 1550 O4' A B 106 46.102 32.607 41.262 1.00 0.00 O ATOM 1551 C3' A B 106 43.914 32.514 42.205 1.00 0.00 C ATOM 1552 O3' A B 106 43.742 32.802 43.590 1.00 0.00 O ATOM 1553 C2' A B 106 44.122 33.814 41.406 1.00 0.00 C ATOM 1554 O2' A B 106 43.473 34.942 41.991 1.00 0.00 O ATOM 1555 C1' A B 106 45.645 33.932 41.455 1.00 0.00 C ATOM 1556 N9 A B 106 46.252 34.842 40.455 1.00 0.00 N ATOM 1557 C8 A B 106 45.894 35.073 39.145 1.00 0.00 C ATOM 1558 N7 A B 106 46.664 35.927 38.515 1.00 0.00 N ATOM 1559 C5 A B 106 47.603 36.289 39.498 1.00 0.00 C ATOM 1560 C6 A B 106 48.730 37.152 39.549 1.00 0.00 C ATOM 1561 N6 A B 106 49.191 37.874 38.543 1.00 0.00 N ATOM 1562 N1 A B 106 49.446 37.299 40.666 1.00 0.00 N ATOM 1563 C2 A B 106 49.070 36.607 41.736 1.00 0.00 C ATOM 1564 N3 A B 106 48.051 35.761 41.846 1.00 0.00 N ATOM 1565 C4 A B 106 47.348 35.641 40.681 1.00 0.00 C ATOM 0 H5' A B 106 44.449 29.737 41.890 1.00 0.00 H new ATOM 0 H5'' A B 106 44.425 30.587 40.357 1.00 0.00 H new ATOM 0 H4' A B 106 45.670 31.476 42.951 1.00 0.00 H new ATOM 0 H3' A B 106 43.032 31.958 41.887 1.00 0.00 H new ATOM 0 H2' A B 106 43.697 33.789 40.402 1.00 0.00 H new ATOM 0 HO2' A B 106 42.943 35.405 41.309 1.00 0.00 H new ATOM 0 HO3' A B 106 43.601 33.764 43.709 1.00 0.00 H new ATOM 0 H1' A B 106 45.942 34.381 42.403 1.00 0.00 H new ATOM 0 H8 A B 106 45.049 34.591 38.676 1.00 0.00 H new ATOM 0 H61 A B 106 50.010 38.467 38.674 1.00 0.00 H new ATOM 0 H62 A B 106 48.728 37.838 37.635 1.00 0.00 H new ATOM 0 H2 A B 106 49.666 36.749 42.626 1.00 0.00 H new TER 1578 A B 106