USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=26 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 21 SER OG : rot 119:sc= 1.2 USER MOD Set 1.2: A 37 CYS SG : rot -139:sc= 0.0275 USER MOD Set 2.1: A 36 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.16) USER MOD Set 2.2: B 104 U O2' : rot -11:sc= 0.109 USER MOD Set 3.1: A 11 TYR OH : rot -98:sc= 0.425 USER MOD Set 3.2: B 101 A O2' : rot -15:sc= 0.435 USER MOD Single : A 0 HIS : no HD1:sc=-0.00196 X(o=-0.002,f=-0.0087) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 164:sc= 0.336 USER MOD Single : A 8 SER OG : rot 9:sc= 0.765 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -176:sc= 1.15 (180deg=1.14) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 17 SER OG : rot 21:sc= 0.288 USER MOD Single : A 18 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.035) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 1.59 K(o=1.6,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 1.04 (180deg=0.459) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 1.58 (180deg=1.04) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 44 SER OG : rot -26:sc= 0.0404 USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= 0.806 (180deg=-0.0414) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 2.45 (180deg=2.29) USER MOD Single : A 69 CYS SG : rot 38:sc= 0.068 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.063) USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 75:sc= 0.199 USER MOD Single : B 103 A O2' : rot 25:sc= 0.00691 USER MOD Single : B 105 C O2' : rot -15:sc= 0.0525 USER MOD Single : B 106 A O2' : rot 171:sc= 0 USER MOD Single : B 106 A O3' : rot 141:sc= 0.105 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 33.508 30.676 45.636 1.00 0.00 N ATOM 2 CA GLY A -2 33.220 32.005 45.056 1.00 0.00 C ATOM 3 C GLY A -2 32.975 33.042 46.142 1.00 0.00 C ATOM 4 O GLY A -2 32.133 32.834 47.014 1.00 0.00 O ATOM 0 H1 GLY A -2 33.737 30.007 44.874 1.00 0.00 H new ATOM 0 H2 GLY A -2 34.316 30.749 46.287 1.00 0.00 H new ATOM 0 H3 GLY A -2 32.674 30.336 46.156 1.00 0.00 H new ATOM 0 HA2 GLY A -2 34.056 32.320 44.431 1.00 0.00 H new ATOM 0 HA3 GLY A -2 32.345 31.940 44.409 1.00 0.00 H new ATOM 10 N SER A -1 33.707 34.161 46.101 1.00 0.00 N ATOM 11 CA SER A -1 33.592 35.297 47.037 1.00 0.00 C ATOM 12 C SER A -1 34.116 36.601 46.405 1.00 0.00 C ATOM 13 O SER A -1 34.845 36.569 45.409 1.00 0.00 O ATOM 14 CB SER A -1 34.338 34.994 48.346 1.00 0.00 C ATOM 15 OG SER A -1 35.732 34.829 48.127 1.00 0.00 O ATOM 0 H SER A -1 34.424 34.311 45.391 1.00 0.00 H new ATOM 0 HA SER A -1 32.535 35.438 47.262 1.00 0.00 H new ATOM 0 HB2 SER A -1 34.174 35.805 49.055 1.00 0.00 H new ATOM 0 HB3 SER A -1 33.930 34.089 48.797 1.00 0.00 H new ATOM 0 HG SER A -1 36.177 34.639 48.979 1.00 0.00 H new ATOM 21 N HIS A 0 33.739 37.757 46.973 1.00 0.00 N ATOM 22 CA HIS A 0 33.912 39.089 46.360 1.00 0.00 C ATOM 23 C HIS A 0 34.488 40.137 47.333 1.00 0.00 C ATOM 24 O HIS A 0 33.931 41.222 47.504 1.00 0.00 O ATOM 25 CB HIS A 0 32.588 39.529 45.699 1.00 0.00 C ATOM 26 CG HIS A 0 32.157 38.637 44.559 1.00 0.00 C ATOM 27 ND1 HIS A 0 31.363 37.489 44.662 1.00 0.00 N ATOM 28 CD2 HIS A 0 32.563 38.775 43.265 1.00 0.00 C ATOM 29 CE1 HIS A 0 31.309 36.966 43.422 1.00 0.00 C ATOM 30 NE2 HIS A 0 32.021 37.721 42.566 1.00 0.00 N ATOM 0 H HIS A 0 33.296 37.796 47.891 1.00 0.00 H new ATOM 0 HA HIS A 0 34.670 39.010 45.581 1.00 0.00 H new ATOM 0 HB2 HIS A 0 31.802 39.545 46.454 1.00 0.00 H new ATOM 0 HB3 HIS A 0 32.697 40.549 45.330 1.00 0.00 H new ATOM 0 HD2 HIS A 0 33.189 39.560 42.866 1.00 0.00 H new ATOM 0 HE1 HIS A 0 30.771 36.069 43.153 1.00 0.00 H new ATOM 0 HE2 HIS A 0 32.139 37.543 41.569 1.00 0.00 H new ATOM 38 N MET A 1 35.608 39.801 47.985 1.00 0.00 N ATOM 39 CA MET A 1 36.315 40.679 48.942 1.00 0.00 C ATOM 40 C MET A 1 37.794 40.959 48.602 1.00 0.00 C ATOM 41 O MET A 1 38.368 41.901 49.157 1.00 0.00 O ATOM 42 CB MET A 1 36.173 40.101 50.362 1.00 0.00 C ATOM 43 CG MET A 1 34.760 40.319 50.918 1.00 0.00 C ATOM 44 SD MET A 1 34.464 39.620 52.565 1.00 0.00 S ATOM 45 CE MET A 1 34.230 37.872 52.133 1.00 0.00 C ATOM 0 H MET A 1 36.061 38.895 47.864 1.00 0.00 H new ATOM 0 HA MET A 1 35.834 41.655 48.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 36.399 39.035 50.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 36.902 40.571 51.022 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.562 41.390 50.954 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.042 39.885 50.222 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.036 37.296 53.038 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.383 37.775 51.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.130 37.494 51.648 1.00 0.00 H new ATOM 55 N VAL A 2 38.424 40.198 47.693 1.00 0.00 N ATOM 56 CA VAL A 2 39.840 40.398 47.304 1.00 0.00 C ATOM 57 C VAL A 2 40.042 41.484 46.237 1.00 0.00 C ATOM 58 O VAL A 2 41.077 42.142 46.238 1.00 0.00 O ATOM 59 CB VAL A 2 40.518 39.081 46.874 1.00 0.00 C ATOM 60 CG1 VAL A 2 40.535 38.074 48.030 1.00 0.00 C ATOM 61 CG2 VAL A 2 39.885 38.421 45.641 1.00 0.00 C ATOM 0 H VAL A 2 37.971 39.426 47.204 1.00 0.00 H new ATOM 0 HA VAL A 2 40.329 40.757 48.209 1.00 0.00 H new ATOM 0 HB VAL A 2 41.534 39.362 46.597 1.00 0.00 H new ATOM 0 HG11 VAL A 2 41.018 37.153 47.703 1.00 0.00 H new ATOM 0 HG12 VAL A 2 41.087 38.494 48.871 1.00 0.00 H new ATOM 0 HG13 VAL A 2 39.512 37.858 48.339 1.00 0.00 H new ATOM 0 HG21 VAL A 2 40.420 37.501 45.405 1.00 0.00 H new ATOM 0 HG22 VAL A 2 38.840 38.190 45.848 1.00 0.00 H new ATOM 0 HG23 VAL A 2 39.944 39.103 44.793 1.00 0.00 H new ATOM 71 N ILE A 3 39.054 41.705 45.356 1.00 0.00 N ATOM 72 CA ILE A 3 39.027 42.766 44.324 1.00 0.00 C ATOM 73 C ILE A 3 40.244 42.694 43.361 1.00 0.00 C ATOM 74 O ILE A 3 40.911 43.689 43.068 1.00 0.00 O ATOM 75 CB ILE A 3 38.740 44.171 44.934 1.00 0.00 C ATOM 76 CG1 ILE A 3 37.641 44.132 46.032 1.00 0.00 C ATOM 77 CG2 ILE A 3 38.301 45.169 43.839 1.00 0.00 C ATOM 78 CD1 ILE A 3 37.434 45.454 46.783 1.00 0.00 C ATOM 0 H ILE A 3 38.214 41.127 45.338 1.00 0.00 H new ATOM 0 HA ILE A 3 38.172 42.574 43.675 1.00 0.00 H new ATOM 0 HB ILE A 3 39.675 44.496 45.390 1.00 0.00 H new ATOM 0 HG12 ILE A 3 36.697 43.841 45.571 1.00 0.00 H new ATOM 0 HG13 ILE A 3 37.896 43.356 46.754 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.107 46.142 44.290 1.00 0.00 H new ATOM 0 HG22 ILE A 3 39.093 45.265 43.096 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.394 44.805 43.357 1.00 0.00 H new ATOM 0 HD11 ILE A 3 36.648 45.330 47.528 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.362 45.740 47.278 1.00 0.00 H new ATOM 0 HD13 ILE A 3 37.144 46.232 46.077 1.00 0.00 H new ATOM 90 N ARG A 4 40.561 41.484 42.880 1.00 0.00 N ATOM 91 CA ARG A 4 41.531 41.193 41.797 1.00 0.00 C ATOM 92 C ARG A 4 40.991 40.055 40.916 1.00 0.00 C ATOM 93 O ARG A 4 41.338 38.889 41.098 1.00 0.00 O ATOM 94 CB ARG A 4 42.941 40.860 42.345 1.00 0.00 C ATOM 95 CG ARG A 4 43.804 42.070 42.749 1.00 0.00 C ATOM 96 CD ARG A 4 43.695 42.431 44.233 1.00 0.00 C ATOM 97 NE ARG A 4 44.547 43.583 44.581 1.00 0.00 N ATOM 98 CZ ARG A 4 44.237 44.865 44.476 1.00 0.00 C ATOM 99 NH1 ARG A 4 43.095 45.275 43.999 1.00 0.00 N ATOM 100 NH2 ARG A 4 45.091 45.776 44.851 1.00 0.00 N ATOM 0 H ARG A 4 40.131 40.636 43.248 1.00 0.00 H new ATOM 0 HA ARG A 4 41.644 42.092 41.192 1.00 0.00 H new ATOM 0 HB2 ARG A 4 42.829 40.211 43.213 1.00 0.00 H new ATOM 0 HB3 ARG A 4 43.479 40.290 41.588 1.00 0.00 H new ATOM 0 HG2 ARG A 4 44.846 41.858 42.511 1.00 0.00 H new ATOM 0 HG3 ARG A 4 43.509 42.932 42.151 1.00 0.00 H new ATOM 0 HD2 ARG A 4 42.657 42.660 44.476 1.00 0.00 H new ATOM 0 HD3 ARG A 4 43.982 41.571 44.838 1.00 0.00 H new ATOM 0 HE ARG A 4 45.477 43.368 44.942 1.00 0.00 H new ATOM 0 HH11 ARG A 4 42.399 44.597 43.689 1.00 0.00 H new ATOM 0 HH12 ARG A 4 42.898 46.274 43.936 1.00 0.00 H new ATOM 0 HH21 ARG A 4 45.999 45.501 45.226 1.00 0.00 H new ATOM 0 HH22 ARG A 4 44.851 46.764 44.770 1.00 0.00 H new ATOM 114 N GLU A 5 40.096 40.396 39.993 1.00 0.00 N ATOM 115 CA GLU A 5 39.400 39.445 39.104 1.00 0.00 C ATOM 116 C GLU A 5 38.885 40.104 37.805 1.00 0.00 C ATOM 117 O GLU A 5 38.818 41.333 37.684 1.00 0.00 O ATOM 118 CB GLU A 5 38.255 38.743 39.868 1.00 0.00 C ATOM 119 CG GLU A 5 37.172 39.685 40.414 1.00 0.00 C ATOM 120 CD GLU A 5 36.145 38.917 41.261 1.00 0.00 C ATOM 121 OE1 GLU A 5 35.246 38.256 40.679 1.00 0.00 O ATOM 122 OE2 GLU A 5 36.221 38.992 42.512 1.00 0.00 O ATOM 0 H GLU A 5 39.821 41.365 39.831 1.00 0.00 H new ATOM 0 HA GLU A 5 40.131 38.698 38.794 1.00 0.00 H new ATOM 0 HB2 GLU A 5 37.785 38.018 39.203 1.00 0.00 H new ATOM 0 HB3 GLU A 5 38.682 38.183 40.700 1.00 0.00 H new ATOM 0 HG2 GLU A 5 37.635 40.465 41.018 1.00 0.00 H new ATOM 0 HG3 GLU A 5 36.666 40.181 39.586 1.00 0.00 H new ATOM 129 N SER A 6 38.504 39.268 36.833 1.00 0.00 N ATOM 130 CA SER A 6 37.753 39.609 35.615 1.00 0.00 C ATOM 131 C SER A 6 36.379 40.243 35.916 1.00 0.00 C ATOM 132 O SER A 6 35.886 40.163 37.041 1.00 0.00 O ATOM 133 CB SER A 6 37.620 38.343 34.749 1.00 0.00 C ATOM 134 OG SER A 6 37.518 37.158 35.528 1.00 0.00 O ATOM 0 H SER A 6 38.724 38.273 36.876 1.00 0.00 H new ATOM 0 HA SER A 6 38.307 40.372 35.068 1.00 0.00 H new ATOM 0 HB2 SER A 6 36.739 38.433 34.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 38.484 38.266 34.088 1.00 0.00 H new ATOM 0 HG SER A 6 37.183 36.426 34.968 1.00 0.00 H new ATOM 140 N VAL A 7 35.760 40.918 34.936 1.00 0.00 N ATOM 141 CA VAL A 7 34.593 41.805 35.155 1.00 0.00 C ATOM 142 C VAL A 7 33.254 41.173 34.742 1.00 0.00 C ATOM 143 O VAL A 7 32.709 40.371 35.504 1.00 0.00 O ATOM 144 CB VAL A 7 34.881 43.260 34.701 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.197 43.454 33.209 1.00 0.00 C ATOM 146 CG2 VAL A 7 33.760 44.228 35.101 1.00 0.00 C ATOM 0 H VAL A 7 36.052 40.868 33.960 1.00 0.00 H new ATOM 0 HA VAL A 7 34.439 41.913 36.229 1.00 0.00 H new ATOM 0 HB VAL A 7 35.799 43.494 35.240 1.00 0.00 H new ATOM 0 HG11 VAL A 7 35.381 44.510 33.010 1.00 0.00 H new ATOM 0 HG12 VAL A 7 36.083 42.876 32.947 1.00 0.00 H new ATOM 0 HG13 VAL A 7 34.352 43.114 32.611 1.00 0.00 H new ATOM 0 HG21 VAL A 7 34.009 45.233 34.761 1.00 0.00 H new ATOM 0 HG22 VAL A 7 32.824 43.911 34.641 1.00 0.00 H new ATOM 0 HG23 VAL A 7 33.650 44.229 36.185 1.00 0.00 H new ATOM 156 N SER A 8 32.687 41.520 33.584 1.00 0.00 N ATOM 157 CA SER A 8 31.345 41.104 33.147 1.00 0.00 C ATOM 158 C SER A 8 31.376 39.693 32.548 1.00 0.00 C ATOM 159 O SER A 8 31.876 39.500 31.437 1.00 0.00 O ATOM 160 CB SER A 8 30.807 42.135 32.151 1.00 0.00 C ATOM 161 OG SER A 8 29.486 41.817 31.766 1.00 0.00 O ATOM 0 H SER A 8 33.159 42.115 32.903 1.00 0.00 H new ATOM 0 HA SER A 8 30.675 41.063 34.006 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.831 43.128 32.600 1.00 0.00 H new ATOM 0 HB3 SER A 8 31.449 42.167 31.271 1.00 0.00 H new ATOM 0 HG SER A 8 29.148 41.089 32.328 1.00 0.00 H new ATOM 167 N ARG A 9 30.892 38.695 33.305 1.00 0.00 N ATOM 168 CA ARG A 9 31.065 37.254 33.030 1.00 0.00 C ATOM 169 C ARG A 9 29.748 36.484 32.924 1.00 0.00 C ATOM 170 O ARG A 9 28.873 36.630 33.774 1.00 0.00 O ATOM 171 CB ARG A 9 31.917 36.628 34.142 1.00 0.00 C ATOM 172 CG ARG A 9 33.382 37.083 34.106 1.00 0.00 C ATOM 173 CD ARG A 9 34.039 36.827 35.463 1.00 0.00 C ATOM 174 NE ARG A 9 33.607 37.819 36.464 1.00 0.00 N ATOM 175 CZ ARG A 9 33.922 37.833 37.745 1.00 0.00 C ATOM 176 NH1 ARG A 9 34.521 36.856 38.349 1.00 0.00 N ATOM 177 NH2 ARG A 9 33.634 38.854 38.489 1.00 0.00 N ATOM 0 H ARG A 9 30.352 38.871 34.152 1.00 0.00 H new ATOM 0 HA ARG A 9 31.553 37.180 32.058 1.00 0.00 H new ATOM 0 HB2 ARG A 9 31.487 36.885 35.110 1.00 0.00 H new ATOM 0 HB3 ARG A 9 31.878 35.542 34.054 1.00 0.00 H new ATOM 0 HG2 ARG A 9 33.920 36.546 33.325 1.00 0.00 H new ATOM 0 HG3 ARG A 9 33.437 38.143 33.860 1.00 0.00 H new ATOM 0 HD2 ARG A 9 33.786 35.825 35.809 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.123 36.863 35.357 1.00 0.00 H new ATOM 0 HE ARG A 9 33.003 38.571 36.133 1.00 0.00 H new ATOM 0 HH11 ARG A 9 34.776 36.015 37.830 1.00 0.00 H new ATOM 0 HH12 ARG A 9 34.738 36.927 39.343 1.00 0.00 H new ATOM 0 HH21 ARG A 9 33.158 39.661 38.086 1.00 0.00 H new ATOM 0 HH22 ARG A 9 33.884 38.851 39.478 1.00 0.00 H new ATOM 191 N ILE A 10 29.636 35.622 31.913 1.00 0.00 N ATOM 192 CA ILE A 10 28.572 34.615 31.764 1.00 0.00 C ATOM 193 C ILE A 10 28.881 33.382 32.632 1.00 0.00 C ATOM 194 O ILE A 10 30.047 33.008 32.763 1.00 0.00 O ATOM 195 CB ILE A 10 28.414 34.181 30.281 1.00 0.00 C ATOM 196 CG1 ILE A 10 28.310 35.388 29.321 1.00 0.00 C ATOM 197 CG2 ILE A 10 27.205 33.239 30.088 1.00 0.00 C ATOM 198 CD1 ILE A 10 28.229 34.975 27.845 1.00 0.00 C ATOM 0 H ILE A 10 30.306 35.601 31.144 1.00 0.00 H new ATOM 0 HA ILE A 10 27.636 35.067 32.094 1.00 0.00 H new ATOM 0 HB ILE A 10 29.322 33.634 30.028 1.00 0.00 H new ATOM 0 HG12 ILE A 10 27.428 35.974 29.577 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.175 36.035 29.465 1.00 0.00 H new ATOM 0 HG21 ILE A 10 27.127 32.957 29.038 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.341 32.344 30.695 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.293 33.750 30.395 1.00 0.00 H new ATOM 0 HD11 ILE A 10 28.158 35.866 27.221 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.123 34.413 27.575 1.00 0.00 H new ATOM 0 HD13 ILE A 10 27.348 34.352 27.689 1.00 0.00 H new ATOM 210 N TYR A 11 27.844 32.705 33.135 1.00 0.00 N ATOM 211 CA TYR A 11 27.909 31.309 33.578 1.00 0.00 C ATOM 212 C TYR A 11 26.870 30.443 32.834 1.00 0.00 C ATOM 213 O TYR A 11 25.691 30.795 32.709 1.00 0.00 O ATOM 214 CB TYR A 11 27.794 31.230 35.111 1.00 0.00 C ATOM 215 CG TYR A 11 27.260 29.913 35.648 1.00 0.00 C ATOM 216 CD1 TYR A 11 25.868 29.734 35.753 1.00 0.00 C ATOM 217 CD2 TYR A 11 28.129 28.876 36.031 1.00 0.00 C ATOM 218 CE1 TYR A 11 25.339 28.524 36.231 1.00 0.00 C ATOM 219 CE2 TYR A 11 27.607 27.668 36.531 1.00 0.00 C ATOM 220 CZ TYR A 11 26.209 27.483 36.621 1.00 0.00 C ATOM 221 OH TYR A 11 25.687 26.316 37.082 1.00 0.00 O ATOM 0 H TYR A 11 26.919 33.120 33.248 1.00 0.00 H new ATOM 0 HA TYR A 11 28.882 30.892 33.318 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.778 31.409 35.544 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.144 32.035 35.453 1.00 0.00 H new ATOM 0 HD1 TYR A 11 25.202 30.533 35.464 1.00 0.00 H new ATOM 0 HD2 TYR A 11 29.197 29.006 35.942 1.00 0.00 H new ATOM 0 HE1 TYR A 11 24.270 28.390 36.300 1.00 0.00 H new ATOM 0 HE2 TYR A 11 28.276 26.881 36.846 1.00 0.00 H new ATOM 0 HH TYR A 11 25.694 26.319 38.062 1.00 0.00 H new ATOM 231 N VAL A 12 27.317 29.281 32.357 1.00 0.00 N ATOM 232 CA VAL A 12 26.496 28.194 31.799 1.00 0.00 C ATOM 233 C VAL A 12 26.908 26.906 32.512 1.00 0.00 C ATOM 234 O VAL A 12 28.102 26.711 32.732 1.00 0.00 O ATOM 235 CB VAL A 12 26.693 28.046 30.275 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.628 27.134 29.657 1.00 0.00 C ATOM 237 CG2 VAL A 12 26.676 29.380 29.515 1.00 0.00 C ATOM 0 H VAL A 12 28.312 29.056 32.347 1.00 0.00 H new ATOM 0 HA VAL A 12 25.440 28.415 31.956 1.00 0.00 H new ATOM 0 HB VAL A 12 27.685 27.606 30.169 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.797 27.053 28.583 1.00 0.00 H new ATOM 0 HG12 VAL A 12 25.689 26.145 30.110 1.00 0.00 H new ATOM 0 HG13 VAL A 12 24.639 27.555 29.837 1.00 0.00 H new ATOM 0 HG21 VAL A 12 26.820 29.194 28.451 1.00 0.00 H new ATOM 0 HG22 VAL A 12 25.717 29.875 29.670 1.00 0.00 H new ATOM 0 HG23 VAL A 12 27.478 30.019 29.884 1.00 0.00 H new ATOM 247 N GLY A 13 25.972 26.027 32.872 1.00 0.00 N ATOM 248 CA GLY A 13 26.241 24.855 33.708 1.00 0.00 C ATOM 249 C GLY A 13 25.391 23.624 33.405 1.00 0.00 C ATOM 250 O GLY A 13 24.335 23.705 32.772 1.00 0.00 O ATOM 0 H GLY A 13 24.996 26.109 32.589 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.292 24.586 33.599 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.090 25.132 34.751 1.00 0.00 H new ATOM 254 N ASN A 14 25.897 22.459 33.831 1.00 0.00 N ATOM 255 CA ASN A 14 25.349 21.126 33.530 1.00 0.00 C ATOM 256 C ASN A 14 25.197 20.856 32.013 1.00 0.00 C ATOM 257 O ASN A 14 24.411 20.001 31.602 1.00 0.00 O ATOM 258 CB ASN A 14 24.057 20.878 34.341 1.00 0.00 C ATOM 259 CG ASN A 14 24.219 21.130 35.833 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.014 22.227 36.334 1.00 0.00 O ATOM 261 ND2 ASN A 14 24.586 20.122 36.595 1.00 0.00 N ATOM 0 H ASN A 14 26.731 22.415 34.417 1.00 0.00 H new ATOM 0 HA ASN A 14 26.079 20.385 33.856 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.266 21.522 33.956 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.733 19.849 34.188 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.699 20.257 37.600 1.00 0.00 H new ATOM 0 HD22 ASN A 14 24.758 19.206 36.181 1.00 0.00 H new ATOM 268 N LEU A 15 25.927 21.607 31.180 1.00 0.00 N ATOM 269 CA LEU A 15 25.762 21.669 29.725 1.00 0.00 C ATOM 270 C LEU A 15 26.151 20.345 29.025 1.00 0.00 C ATOM 271 O LEU A 15 27.033 19.631 29.517 1.00 0.00 O ATOM 272 CB LEU A 15 26.524 22.905 29.194 1.00 0.00 C ATOM 273 CG LEU A 15 28.062 22.851 29.342 1.00 0.00 C ATOM 274 CD1 LEU A 15 28.743 22.511 28.016 1.00 0.00 C ATOM 275 CD2 LEU A 15 28.609 24.203 29.805 1.00 0.00 C ATOM 0 H LEU A 15 26.678 22.211 31.515 1.00 0.00 H new ATOM 0 HA LEU A 15 24.706 21.790 29.482 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.282 23.034 28.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 26.157 23.789 29.716 1.00 0.00 H new ATOM 0 HG LEU A 15 28.276 22.076 30.078 1.00 0.00 H new ATOM 0 HD11 LEU A 15 29.823 22.482 28.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 28.397 21.538 27.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.495 23.271 27.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 29.693 24.143 29.903 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.353 24.969 29.073 1.00 0.00 H new ATOM 0 HD23 LEU A 15 28.172 24.462 30.769 1.00 0.00 H new ATOM 287 N PRO A 16 25.513 19.993 27.889 1.00 0.00 N ATOM 288 CA PRO A 16 25.788 18.749 27.168 1.00 0.00 C ATOM 289 C PRO A 16 27.190 18.748 26.535 1.00 0.00 C ATOM 290 O PRO A 16 27.580 19.705 25.859 1.00 0.00 O ATOM 291 CB PRO A 16 24.675 18.630 26.118 1.00 0.00 C ATOM 292 CG PRO A 16 24.267 20.080 25.857 1.00 0.00 C ATOM 293 CD PRO A 16 24.446 20.735 27.227 1.00 0.00 C ATOM 0 HA PRO A 16 25.790 17.890 27.839 1.00 0.00 H new ATOM 0 HB2 PRO A 16 25.032 18.145 25.210 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.837 18.039 26.488 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.897 20.547 25.100 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.238 20.153 25.505 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.708 21.788 27.125 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.523 20.691 27.805 1.00 0.00 H new ATOM 301 N SER A 17 27.933 17.650 26.725 1.00 0.00 N ATOM 302 CA SER A 17 29.346 17.499 26.319 1.00 0.00 C ATOM 303 C SER A 17 30.262 18.597 26.913 1.00 0.00 C ATOM 304 O SER A 17 29.932 19.207 27.935 1.00 0.00 O ATOM 305 CB SER A 17 29.423 17.358 24.787 1.00 0.00 C ATOM 306 OG SER A 17 30.699 16.903 24.367 1.00 0.00 O ATOM 0 H SER A 17 27.562 16.815 27.178 1.00 0.00 H new ATOM 0 HA SER A 17 29.747 16.581 26.748 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.657 16.661 24.447 1.00 0.00 H new ATOM 0 HB3 SER A 17 29.208 18.320 24.321 1.00 0.00 H new ATOM 0 HG SER A 17 31.152 16.461 25.116 1.00 0.00 H new ATOM 312 N HIS A 18 31.433 18.842 26.317 1.00 0.00 N ATOM 313 CA HIS A 18 32.407 19.861 26.734 1.00 0.00 C ATOM 314 C HIS A 18 32.778 20.755 25.541 1.00 0.00 C ATOM 315 O HIS A 18 33.697 20.451 24.775 1.00 0.00 O ATOM 316 CB HIS A 18 33.617 19.172 27.389 1.00 0.00 C ATOM 317 CG HIS A 18 34.470 20.121 28.193 1.00 0.00 C ATOM 318 ND1 HIS A 18 34.250 20.451 29.534 1.00 0.00 N ATOM 319 CD2 HIS A 18 35.533 20.841 27.731 1.00 0.00 C ATOM 320 CE1 HIS A 18 35.191 21.353 29.850 1.00 0.00 C ATOM 321 NE2 HIS A 18 35.977 21.606 28.788 1.00 0.00 N ATOM 0 H HIS A 18 31.742 18.317 25.499 1.00 0.00 H new ATOM 0 HA HIS A 18 31.975 20.522 27.485 1.00 0.00 H new ATOM 0 HB2 HIS A 18 33.265 18.370 28.038 1.00 0.00 H new ATOM 0 HB3 HIS A 18 34.229 18.710 26.614 1.00 0.00 H new ATOM 0 HD2 HIS A 18 35.945 20.816 26.733 1.00 0.00 H new ATOM 0 HE1 HIS A 18 35.302 21.812 30.821 1.00 0.00 H new ATOM 0 HE2 HIS A 18 36.766 22.253 28.768 1.00 0.00 H new ATOM 329 N VAL A 19 31.999 21.821 25.334 1.00 0.00 N ATOM 330 CA VAL A 19 32.067 22.693 24.141 1.00 0.00 C ATOM 331 C VAL A 19 33.404 23.440 24.006 1.00 0.00 C ATOM 332 O VAL A 19 34.012 23.850 24.998 1.00 0.00 O ATOM 333 CB VAL A 19 30.873 23.675 24.090 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.542 22.919 23.987 1.00 0.00 C ATOM 335 CG2 VAL A 19 30.803 24.630 25.288 1.00 0.00 C ATOM 0 H VAL A 19 31.286 22.114 26.001 1.00 0.00 H new ATOM 0 HA VAL A 19 32.002 22.027 23.281 1.00 0.00 H new ATOM 0 HB VAL A 19 31.042 24.278 23.198 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.719 23.633 23.953 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.536 22.315 23.080 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.424 22.271 24.855 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.940 25.287 25.180 1.00 0.00 H new ATOM 0 HG22 VAL A 19 30.707 24.053 26.208 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.712 25.230 25.329 1.00 0.00 H new ATOM 345 N SER A 20 33.868 23.630 22.766 1.00 0.00 N ATOM 346 CA SER A 20 35.132 24.321 22.449 1.00 0.00 C ATOM 347 C SER A 20 34.971 25.846 22.417 1.00 0.00 C ATOM 348 O SER A 20 33.991 26.362 21.877 1.00 0.00 O ATOM 349 CB SER A 20 35.689 23.836 21.105 1.00 0.00 C ATOM 350 OG SER A 20 35.919 22.436 21.136 1.00 0.00 O ATOM 0 H SER A 20 33.370 23.304 21.937 1.00 0.00 H new ATOM 0 HA SER A 20 35.832 24.076 23.247 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.988 24.077 20.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.619 24.358 20.881 1.00 0.00 H new ATOM 0 HG SER A 20 36.273 22.143 20.270 1.00 0.00 H new ATOM 356 N SER A 21 35.965 26.577 22.937 1.00 0.00 N ATOM 357 CA SER A 21 35.943 28.042 23.124 1.00 0.00 C ATOM 358 C SER A 21 35.519 28.823 21.868 1.00 0.00 C ATOM 359 O SER A 21 34.557 29.598 21.906 1.00 0.00 O ATOM 360 CB SER A 21 37.338 28.489 23.587 1.00 0.00 C ATOM 361 OG SER A 21 37.446 29.897 23.658 1.00 0.00 O ATOM 0 H SER A 21 36.839 26.155 23.251 1.00 0.00 H new ATOM 0 HA SER A 21 35.186 28.268 23.875 1.00 0.00 H new ATOM 0 HB2 SER A 21 37.550 28.059 24.566 1.00 0.00 H new ATOM 0 HB3 SER A 21 38.090 28.102 22.899 1.00 0.00 H new ATOM 0 HG SER A 21 37.644 30.164 24.580 1.00 0.00 H new ATOM 367 N ARG A 22 36.181 28.565 20.732 1.00 0.00 N ATOM 368 CA ARG A 22 35.917 29.244 19.443 1.00 0.00 C ATOM 369 C ARG A 22 34.546 28.945 18.827 1.00 0.00 C ATOM 370 O ARG A 22 34.075 29.719 17.993 1.00 0.00 O ATOM 371 CB ARG A 22 37.076 29.016 18.449 1.00 0.00 C ATOM 372 CG ARG A 22 37.195 27.638 17.764 1.00 0.00 C ATOM 373 CD ARG A 22 37.448 26.465 18.727 1.00 0.00 C ATOM 374 NE ARG A 22 38.242 25.392 18.091 1.00 0.00 N ATOM 375 CZ ARG A 22 37.827 24.414 17.307 1.00 0.00 C ATOM 376 NH1 ARG A 22 36.581 24.230 16.982 1.00 0.00 N ATOM 377 NH2 ARG A 22 38.693 23.571 16.820 1.00 0.00 N ATOM 0 H ARG A 22 36.926 27.871 20.675 1.00 0.00 H new ATOM 0 HA ARG A 22 35.871 30.308 19.676 1.00 0.00 H new ATOM 0 HB2 ARG A 22 36.995 29.770 17.666 1.00 0.00 H new ATOM 0 HB3 ARG A 22 38.010 29.205 18.979 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.278 27.443 17.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.007 27.677 17.038 1.00 0.00 H new ATOM 0 HD2 ARG A 22 37.971 26.828 19.612 1.00 0.00 H new ATOM 0 HD3 ARG A 22 36.494 26.060 19.064 1.00 0.00 H new ATOM 0 HE ARG A 22 39.244 25.410 18.284 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.863 24.861 17.338 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.322 23.455 16.371 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.683 23.670 17.045 1.00 0.00 H new ATOM 0 HH22 ARG A 22 38.381 22.813 16.214 1.00 0.00 H new ATOM 391 N ASP A 23 33.883 27.870 19.245 1.00 0.00 N ATOM 392 CA ASP A 23 32.535 27.527 18.772 1.00 0.00 C ATOM 393 C ASP A 23 31.482 28.406 19.463 1.00 0.00 C ATOM 394 O ASP A 23 30.617 28.981 18.796 1.00 0.00 O ATOM 395 CB ASP A 23 32.215 26.036 18.980 1.00 0.00 C ATOM 396 CG ASP A 23 33.198 25.033 18.346 1.00 0.00 C ATOM 397 OD1 ASP A 23 34.230 25.429 17.754 1.00 0.00 O ATOM 398 OD2 ASP A 23 32.927 23.814 18.441 1.00 0.00 O ATOM 0 H ASP A 23 34.262 27.208 19.922 1.00 0.00 H new ATOM 0 HA ASP A 23 32.507 27.720 17.700 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.171 25.842 20.052 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.220 25.840 18.580 1.00 0.00 H new ATOM 403 N VAL A 24 31.580 28.564 20.789 1.00 0.00 N ATOM 404 CA VAL A 24 30.665 29.418 21.570 1.00 0.00 C ATOM 405 C VAL A 24 30.967 30.909 21.376 1.00 0.00 C ATOM 406 O VAL A 24 30.055 31.731 21.400 1.00 0.00 O ATOM 407 CB VAL A 24 30.650 29.077 23.078 1.00 0.00 C ATOM 408 CG1 VAL A 24 29.234 29.285 23.622 1.00 0.00 C ATOM 409 CG2 VAL A 24 31.052 27.638 23.425 1.00 0.00 C ATOM 0 H VAL A 24 32.294 28.105 21.354 1.00 0.00 H new ATOM 0 HA VAL A 24 29.671 29.205 21.177 1.00 0.00 H new ATOM 0 HB VAL A 24 31.392 29.738 23.526 1.00 0.00 H new ATOM 0 HG11 VAL A 24 29.214 29.047 24.685 1.00 0.00 H new ATOM 0 HG12 VAL A 24 28.938 30.324 23.477 1.00 0.00 H new ATOM 0 HG13 VAL A 24 28.541 28.633 23.091 1.00 0.00 H new ATOM 0 HG21 VAL A 24 31.010 27.499 24.505 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.366 26.942 22.943 1.00 0.00 H new ATOM 0 HG23 VAL A 24 32.067 27.449 23.074 1.00 0.00 H new ATOM 419 N GLU A 25 32.221 31.274 21.091 1.00 0.00 N ATOM 420 CA GLU A 25 32.600 32.634 20.680 1.00 0.00 C ATOM 421 C GLU A 25 31.804 33.095 19.444 1.00 0.00 C ATOM 422 O GLU A 25 31.274 34.206 19.428 1.00 0.00 O ATOM 423 CB GLU A 25 34.118 32.669 20.420 1.00 0.00 C ATOM 424 CG GLU A 25 34.667 34.030 19.963 1.00 0.00 C ATOM 425 CD GLU A 25 35.283 33.972 18.553 1.00 0.00 C ATOM 426 OE1 GLU A 25 34.544 34.168 17.560 1.00 0.00 O ATOM 427 OE2 GLU A 25 36.512 33.749 18.436 1.00 0.00 O ATOM 0 H GLU A 25 33.010 30.630 21.139 1.00 0.00 H new ATOM 0 HA GLU A 25 32.356 33.332 21.481 1.00 0.00 H new ATOM 0 HB2 GLU A 25 34.635 32.374 21.333 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.359 31.924 19.662 1.00 0.00 H new ATOM 0 HG2 GLU A 25 33.863 34.766 19.975 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.421 34.371 20.672 1.00 0.00 H new ATOM 434 N ASN A 26 31.632 32.217 18.450 1.00 0.00 N ATOM 435 CA ASN A 26 30.846 32.509 17.248 1.00 0.00 C ATOM 436 C ASN A 26 29.318 32.554 17.476 1.00 0.00 C ATOM 437 O ASN A 26 28.603 33.100 16.634 1.00 0.00 O ATOM 438 CB ASN A 26 31.273 31.557 16.120 1.00 0.00 C ATOM 439 CG ASN A 26 32.562 32.032 15.467 1.00 0.00 C ATOM 440 OD1 ASN A 26 32.571 32.998 14.711 1.00 0.00 O ATOM 441 ND2 ASN A 26 33.681 31.401 15.728 1.00 0.00 N ATOM 0 H ASN A 26 32.036 31.280 18.457 1.00 0.00 H new ATOM 0 HA ASN A 26 31.072 33.532 16.946 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.412 30.552 16.520 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.483 31.496 15.372 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.554 31.714 15.303 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.679 30.597 16.356 1.00 0.00 H new ATOM 448 N GLU A 27 28.811 32.054 18.608 1.00 0.00 N ATOM 449 CA GLU A 27 27.435 32.316 19.063 1.00 0.00 C ATOM 450 C GLU A 27 27.331 33.680 19.778 1.00 0.00 C ATOM 451 O GLU A 27 26.427 34.467 19.488 1.00 0.00 O ATOM 452 CB GLU A 27 26.968 31.154 19.965 1.00 0.00 C ATOM 453 CG GLU A 27 25.590 31.320 20.631 1.00 0.00 C ATOM 454 CD GLU A 27 24.375 31.182 19.685 1.00 0.00 C ATOM 455 OE1 GLU A 27 24.530 31.177 18.440 1.00 0.00 O ATOM 456 OE2 GLU A 27 23.241 31.053 20.204 1.00 0.00 O ATOM 0 H GLU A 27 29.343 31.454 19.239 1.00 0.00 H new ATOM 0 HA GLU A 27 26.774 32.371 18.198 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.952 30.242 19.368 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.712 31.009 20.749 1.00 0.00 H new ATOM 0 HG2 GLU A 27 25.497 30.578 21.424 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.550 32.301 21.105 1.00 0.00 H new ATOM 463 N PHE A 28 28.257 33.981 20.694 1.00 0.00 N ATOM 464 CA PHE A 28 28.201 35.179 21.542 1.00 0.00 C ATOM 465 C PHE A 28 28.628 36.488 20.858 1.00 0.00 C ATOM 466 O PHE A 28 28.110 37.546 21.225 1.00 0.00 O ATOM 467 CB PHE A 28 29.007 34.926 22.828 1.00 0.00 C ATOM 468 CG PHE A 28 28.312 34.036 23.849 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.000 34.328 24.278 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.984 32.929 24.402 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.355 33.505 25.219 1.00 0.00 C ATOM 472 CE2 PHE A 28 28.344 32.115 25.354 1.00 0.00 C ATOM 473 CZ PHE A 28 27.027 32.395 25.756 1.00 0.00 C ATOM 0 H PHE A 28 29.074 33.396 20.870 1.00 0.00 H new ATOM 0 HA PHE A 28 27.149 35.340 21.776 1.00 0.00 H new ATOM 0 HB2 PHE A 28 29.961 34.472 22.559 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.231 35.885 23.295 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.486 35.191 23.880 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.994 32.704 24.094 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.344 33.727 25.528 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.867 31.271 25.778 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.533 31.759 26.476 1.00 0.00 H new ATOM 483 N ARG A 29 29.510 36.464 19.845 1.00 0.00 N ATOM 484 CA ARG A 29 30.078 37.673 19.203 1.00 0.00 C ATOM 485 C ARG A 29 29.052 38.674 18.648 1.00 0.00 C ATOM 486 O ARG A 29 29.354 39.864 18.545 1.00 0.00 O ATOM 487 CB ARG A 29 31.105 37.264 18.124 1.00 0.00 C ATOM 488 CG ARG A 29 30.488 36.512 16.930 1.00 0.00 C ATOM 489 CD ARG A 29 31.550 35.947 15.973 1.00 0.00 C ATOM 490 NE ARG A 29 32.263 36.992 15.217 1.00 0.00 N ATOM 491 CZ ARG A 29 33.165 36.782 14.272 1.00 0.00 C ATOM 492 NH1 ARG A 29 33.522 35.585 13.899 1.00 0.00 N ATOM 493 NH2 ARG A 29 33.732 37.788 13.669 1.00 0.00 N ATOM 0 H ARG A 29 29.857 35.595 19.440 1.00 0.00 H new ATOM 0 HA ARG A 29 30.572 38.222 20.005 1.00 0.00 H new ATOM 0 HB2 ARG A 29 31.608 38.159 17.757 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.868 36.635 18.582 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.868 35.696 17.301 1.00 0.00 H new ATOM 0 HG3 ARG A 29 29.832 37.187 16.381 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.272 35.364 16.545 1.00 0.00 H new ATOM 0 HD3 ARG A 29 31.072 35.263 15.272 1.00 0.00 H new ATOM 0 HE ARG A 29 32.042 37.962 15.442 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.102 34.767 14.340 1.00 0.00 H new ATOM 0 HH12 ARG A 29 34.221 35.467 13.166 1.00 0.00 H new ATOM 0 HH21 ARG A 29 33.481 38.743 13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 29 34.427 37.621 12.941 1.00 0.00 H new ATOM 507 N LYS A 30 27.829 38.230 18.320 1.00 0.00 N ATOM 508 CA LYS A 30 26.728 39.100 17.855 1.00 0.00 C ATOM 509 C LYS A 30 26.056 39.939 18.956 1.00 0.00 C ATOM 510 O LYS A 30 25.250 40.806 18.622 1.00 0.00 O ATOM 511 CB LYS A 30 25.702 38.275 17.054 1.00 0.00 C ATOM 512 CG LYS A 30 24.918 37.249 17.898 1.00 0.00 C ATOM 513 CD LYS A 30 23.389 37.296 17.716 1.00 0.00 C ATOM 514 CE LYS A 30 22.670 38.423 18.483 1.00 0.00 C ATOM 515 NZ LYS A 30 22.717 39.747 17.805 1.00 0.00 N ATOM 0 H LYS A 30 27.570 37.245 18.370 1.00 0.00 H new ATOM 0 HA LYS A 30 27.187 39.842 17.201 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.994 38.956 16.581 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.221 37.749 16.253 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.269 36.248 17.646 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.150 37.413 18.950 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.169 37.404 16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.972 36.340 18.033 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.628 38.140 18.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.118 38.518 19.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.918 40.330 18.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.611 40.225 18.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.655 39.612 16.776 1.00 0.00 H new ATOM 529 N TYR A 31 26.350 39.691 20.235 1.00 0.00 N ATOM 530 CA TYR A 31 25.857 40.470 21.389 1.00 0.00 C ATOM 531 C TYR A 31 26.927 41.417 21.984 1.00 0.00 C ATOM 532 O TYR A 31 26.705 42.022 23.034 1.00 0.00 O ATOM 533 CB TYR A 31 25.305 39.523 22.466 1.00 0.00 C ATOM 534 CG TYR A 31 24.205 38.568 22.038 1.00 0.00 C ATOM 535 CD1 TYR A 31 22.854 38.957 22.133 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.527 37.266 21.610 1.00 0.00 C ATOM 537 CE1 TYR A 31 21.831 38.048 21.800 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.508 36.354 21.270 1.00 0.00 C ATOM 539 CZ TYR A 31 22.154 36.741 21.371 1.00 0.00 C ATOM 540 OH TYR A 31 21.159 35.872 21.046 1.00 0.00 O ATOM 0 H TYR A 31 26.957 38.919 20.512 1.00 0.00 H new ATOM 0 HA TYR A 31 25.055 41.111 21.023 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.134 38.933 22.857 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.928 40.129 23.290 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.602 39.954 22.462 1.00 0.00 H new ATOM 0 HD2 TYR A 31 25.562 36.964 21.542 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.797 38.351 21.873 1.00 0.00 H new ATOM 0 HE2 TYR A 31 23.762 35.360 20.933 1.00 0.00 H new ATOM 0 HH TYR A 31 21.549 35.016 20.770 1.00 0.00 H new ATOM 550 N GLY A 32 28.092 41.535 21.338 1.00 0.00 N ATOM 551 CA GLY A 32 29.236 42.352 21.768 1.00 0.00 C ATOM 552 C GLY A 32 30.571 41.611 21.641 1.00 0.00 C ATOM 553 O GLY A 32 30.608 40.404 21.405 1.00 0.00 O ATOM 0 H GLY A 32 28.273 41.043 20.463 1.00 0.00 H new ATOM 0 HA2 GLY A 32 29.272 43.263 21.170 1.00 0.00 H new ATOM 0 HA3 GLY A 32 29.091 42.656 22.805 1.00 0.00 H new ATOM 557 N ASN A 33 31.687 42.326 21.808 1.00 0.00 N ATOM 558 CA ASN A 33 33.016 41.705 21.836 1.00 0.00 C ATOM 559 C ASN A 33 33.175 40.809 23.076 1.00 0.00 C ATOM 560 O ASN A 33 32.911 41.234 24.205 1.00 0.00 O ATOM 561 CB ASN A 33 34.134 42.762 21.769 1.00 0.00 C ATOM 562 CG ASN A 33 34.037 43.674 20.556 1.00 0.00 C ATOM 563 OD1 ASN A 33 33.284 44.638 20.531 1.00 0.00 O ATOM 564 ND2 ASN A 33 34.794 43.407 19.515 1.00 0.00 N ATOM 0 H ASN A 33 31.697 43.339 21.926 1.00 0.00 H new ATOM 0 HA ASN A 33 33.107 41.077 20.950 1.00 0.00 H new ATOM 0 HB2 ASN A 33 34.103 43.370 22.673 1.00 0.00 H new ATOM 0 HB3 ASN A 33 35.100 42.257 21.757 1.00 0.00 H new ATOM 0 HD21 ASN A 33 34.753 44.003 18.688 1.00 0.00 H new ATOM 0 HD22 ASN A 33 35.422 42.604 19.534 1.00 0.00 H new ATOM 571 N ILE A 34 33.642 39.579 22.857 1.00 0.00 N ATOM 572 CA ILE A 34 34.113 38.654 23.894 1.00 0.00 C ATOM 573 C ILE A 34 35.611 38.877 24.145 1.00 0.00 C ATOM 574 O ILE A 34 36.382 39.040 23.195 1.00 0.00 O ATOM 575 CB ILE A 34 33.710 37.187 23.576 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.477 36.093 24.358 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.678 36.843 22.074 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.855 35.656 23.827 1.00 0.00 C ATOM 0 H ILE A 34 33.706 39.183 21.919 1.00 0.00 H new ATOM 0 HA ILE A 34 33.613 38.867 24.839 1.00 0.00 H new ATOM 0 HB ILE A 34 32.685 37.167 23.946 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.610 36.445 25.381 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.842 35.209 24.405 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.387 35.800 21.946 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.957 37.486 21.569 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.667 36.999 21.644 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.268 34.885 24.478 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.747 35.259 22.818 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.527 36.514 23.809 1.00 0.00 H new ATOM 590 N LEU A 35 36.022 38.903 25.418 1.00 0.00 N ATOM 591 CA LEU A 35 37.420 39.131 25.823 1.00 0.00 C ATOM 592 C LEU A 35 38.168 37.826 26.161 1.00 0.00 C ATOM 593 O LEU A 35 39.374 37.725 25.917 1.00 0.00 O ATOM 594 CB LEU A 35 37.490 40.105 27.020 1.00 0.00 C ATOM 595 CG LEU A 35 36.942 41.537 26.849 1.00 0.00 C ATOM 596 CD1 LEU A 35 37.400 42.205 25.551 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.420 41.633 26.942 1.00 0.00 C ATOM 0 H LEU A 35 35.390 38.765 26.206 1.00 0.00 H new ATOM 0 HA LEU A 35 37.921 39.575 24.962 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.956 39.645 27.851 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.535 40.186 27.319 1.00 0.00 H new ATOM 0 HG LEU A 35 37.370 42.074 27.696 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.981 43.209 25.491 1.00 0.00 H new ATOM 0 HD12 LEU A 35 38.488 42.265 25.537 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.058 41.617 24.699 1.00 0.00 H new ATOM 0 HD21 LEU A 35 35.112 42.671 26.812 1.00 0.00 H new ATOM 0 HD22 LEU A 35 34.968 41.020 26.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 35.092 41.277 27.919 1.00 0.00 H new ATOM 609 N LYS A 36 37.464 36.837 26.728 1.00 0.00 N ATOM 610 CA LYS A 36 37.999 35.558 27.235 1.00 0.00 C ATOM 611 C LYS A 36 36.868 34.522 27.269 1.00 0.00 C ATOM 612 O LYS A 36 35.755 34.871 27.653 1.00 0.00 O ATOM 613 CB LYS A 36 38.605 35.823 28.634 1.00 0.00 C ATOM 614 CG LYS A 36 39.573 34.767 29.195 1.00 0.00 C ATOM 615 CD LYS A 36 38.901 33.551 29.856 1.00 0.00 C ATOM 616 CE LYS A 36 39.845 32.845 30.844 1.00 0.00 C ATOM 617 NZ LYS A 36 41.013 32.212 30.181 1.00 0.00 N ATOM 0 H LYS A 36 36.454 36.907 26.854 1.00 0.00 H new ATOM 0 HA LYS A 36 38.782 35.157 26.591 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.130 36.777 28.599 1.00 0.00 H new ATOM 0 HB3 LYS A 36 37.784 35.937 29.341 1.00 0.00 H new ATOM 0 HG2 LYS A 36 40.211 34.414 28.384 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.224 35.246 29.927 1.00 0.00 H new ATOM 0 HD2 LYS A 36 38.001 33.873 30.380 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.587 32.846 29.086 1.00 0.00 H new ATOM 0 HE2 LYS A 36 40.199 33.568 31.579 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.287 32.084 31.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.566 31.682 30.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.681 31.562 29.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.611 32.948 29.754 1.00 0.00 H new ATOM 631 N CYS A 37 37.125 33.278 26.865 1.00 0.00 N ATOM 632 CA CYS A 37 36.131 32.196 26.825 1.00 0.00 C ATOM 633 C CYS A 37 36.804 30.842 27.105 1.00 0.00 C ATOM 634 O CYS A 37 37.681 30.424 26.349 1.00 0.00 O ATOM 635 CB CYS A 37 35.441 32.218 25.449 1.00 0.00 C ATOM 636 SG CYS A 37 34.261 30.844 25.280 1.00 0.00 S ATOM 0 H CYS A 37 38.049 32.984 26.549 1.00 0.00 H new ATOM 0 HA CYS A 37 35.378 32.343 27.599 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.920 33.166 25.316 1.00 0.00 H new ATOM 0 HB3 CYS A 37 36.192 32.154 24.662 1.00 0.00 H new ATOM 0 HG CYS A 37 34.344 30.346 24.082 1.00 0.00 H new ATOM 642 N ASP A 38 36.398 30.156 28.176 1.00 0.00 N ATOM 643 CA ASP A 38 36.923 28.843 28.586 1.00 0.00 C ATOM 644 C ASP A 38 35.879 28.017 29.357 1.00 0.00 C ATOM 645 O ASP A 38 34.921 28.555 29.920 1.00 0.00 O ATOM 646 CB ASP A 38 38.216 29.012 29.407 1.00 0.00 C ATOM 647 CG ASP A 38 39.459 29.157 28.514 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.836 28.161 27.851 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.079 30.247 28.506 1.00 0.00 O ATOM 0 H ASP A 38 35.674 30.506 28.803 1.00 0.00 H new ATOM 0 HA ASP A 38 37.158 28.286 27.679 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.126 29.890 30.046 1.00 0.00 H new ATOM 0 HB3 ASP A 38 38.342 28.151 30.064 1.00 0.00 H new ATOM 654 N VAL A 39 36.061 26.690 29.378 1.00 0.00 N ATOM 655 CA VAL A 39 35.080 25.725 29.907 1.00 0.00 C ATOM 656 C VAL A 39 35.752 24.770 30.898 1.00 0.00 C ATOM 657 O VAL A 39 36.775 24.156 30.590 1.00 0.00 O ATOM 658 CB VAL A 39 34.364 24.969 28.764 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.169 24.150 29.270 1.00 0.00 C ATOM 660 CG2 VAL A 39 33.837 25.929 27.689 1.00 0.00 C ATOM 0 H VAL A 39 36.908 26.246 29.022 1.00 0.00 H new ATOM 0 HA VAL A 39 34.310 26.275 30.449 1.00 0.00 H new ATOM 0 HB VAL A 39 35.118 24.304 28.342 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.698 23.637 28.431 1.00 0.00 H new ATOM 0 HG12 VAL A 39 33.513 23.415 29.998 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.445 24.815 29.741 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.341 25.359 26.904 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.126 26.623 28.138 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.669 26.488 27.261 1.00 0.00 H new ATOM 670 N LYS A 40 35.165 24.652 32.094 1.00 0.00 N ATOM 671 CA LYS A 40 35.660 23.887 33.255 1.00 0.00 C ATOM 672 C LYS A 40 34.737 22.699 33.567 1.00 0.00 C ATOM 673 O LYS A 40 33.678 22.569 32.952 1.00 0.00 O ATOM 674 CB LYS A 40 35.807 24.830 34.474 1.00 0.00 C ATOM 675 CG LYS A 40 36.575 26.136 34.175 1.00 0.00 C ATOM 676 CD LYS A 40 35.670 27.351 33.887 1.00 0.00 C ATOM 677 CE LYS A 40 35.582 28.364 35.046 1.00 0.00 C ATOM 678 NZ LYS A 40 35.148 27.763 36.333 1.00 0.00 N ATOM 0 H LYS A 40 34.278 25.114 32.294 1.00 0.00 H new ATOM 0 HA LYS A 40 36.640 23.474 33.017 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.814 25.083 34.846 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.320 24.295 35.273 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.217 26.369 35.024 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.228 25.972 33.317 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.041 27.863 32.999 1.00 0.00 H new ATOM 0 HD3 LYS A 40 34.667 26.995 33.654 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.557 28.831 35.184 1.00 0.00 H new ATOM 0 HE3 LYS A 40 34.885 29.156 34.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.867 28.518 36.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.340 27.131 36.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.933 27.219 36.745 1.00 0.00 H new ATOM 692 N LYS A 41 35.108 21.839 34.524 1.00 0.00 N ATOM 693 CA LYS A 41 34.256 20.735 35.023 1.00 0.00 C ATOM 694 C LYS A 41 34.495 20.399 36.499 1.00 0.00 C ATOM 695 O LYS A 41 35.601 20.595 37.011 1.00 0.00 O ATOM 696 CB LYS A 41 34.360 19.487 34.111 1.00 0.00 C ATOM 697 CG LYS A 41 35.584 18.570 34.301 1.00 0.00 C ATOM 698 CD LYS A 41 36.961 19.171 33.985 1.00 0.00 C ATOM 699 CE LYS A 41 37.086 19.584 32.510 1.00 0.00 C ATOM 700 NZ LYS A 41 38.469 20.023 32.179 1.00 0.00 N ATOM 0 H LYS A 41 36.018 21.885 34.983 1.00 0.00 H new ATOM 0 HA LYS A 41 33.228 21.095 34.975 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.463 18.886 34.259 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.350 19.825 33.075 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.593 18.227 35.336 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.447 17.688 33.675 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.131 20.040 34.620 1.00 0.00 H new ATOM 0 HD3 LYS A 41 37.737 18.444 34.225 1.00 0.00 H new ATOM 0 HE2 LYS A 41 36.807 18.745 31.872 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.386 20.392 32.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.516 20.294 31.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.725 20.839 32.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.133 19.243 32.358 1.00 0.00 H new ATOM 714 N THR A 42 33.471 19.875 37.171 1.00 0.00 N ATOM 715 CA THR A 42 33.560 19.298 38.530 1.00 0.00 C ATOM 716 C THR A 42 33.844 17.791 38.486 1.00 0.00 C ATOM 717 O THR A 42 33.521 17.113 37.508 1.00 0.00 O ATOM 718 CB THR A 42 32.299 19.613 39.365 1.00 0.00 C ATOM 719 OG1 THR A 42 32.348 18.961 40.615 1.00 0.00 O ATOM 720 CG2 THR A 42 30.990 19.168 38.716 1.00 0.00 C ATOM 0 H THR A 42 32.528 19.834 36.784 1.00 0.00 H new ATOM 0 HA THR A 42 34.405 19.773 39.028 1.00 0.00 H new ATOM 0 HB THR A 42 32.306 20.699 39.455 1.00 0.00 H new ATOM 0 HG1 THR A 42 31.541 19.176 41.128 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.155 19.426 39.367 1.00 0.00 H new ATOM 0 HG22 THR A 42 30.871 19.670 37.756 1.00 0.00 H new ATOM 0 HG23 THR A 42 31.009 18.089 38.561 1.00 0.00 H new ATOM 728 N VAL A 43 34.384 17.235 39.576 1.00 0.00 N ATOM 729 CA VAL A 43 34.524 15.781 39.803 1.00 0.00 C ATOM 730 C VAL A 43 33.177 15.041 39.830 1.00 0.00 C ATOM 731 O VAL A 43 33.137 13.832 39.596 1.00 0.00 O ATOM 732 CB VAL A 43 35.312 15.487 41.099 1.00 0.00 C ATOM 733 CG1 VAL A 43 36.736 16.049 41.022 1.00 0.00 C ATOM 734 CG2 VAL A 43 34.631 16.031 42.364 1.00 0.00 C ATOM 0 H VAL A 43 34.747 17.793 40.349 1.00 0.00 H new ATOM 0 HA VAL A 43 35.084 15.402 38.948 1.00 0.00 H new ATOM 0 HB VAL A 43 35.341 14.400 41.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 37.266 15.826 41.948 1.00 0.00 H new ATOM 0 HG12 VAL A 43 37.263 15.592 40.184 1.00 0.00 H new ATOM 0 HG13 VAL A 43 36.694 17.129 40.879 1.00 0.00 H new ATOM 0 HG21 VAL A 43 35.238 15.789 43.237 1.00 0.00 H new ATOM 0 HG22 VAL A 43 34.526 17.113 42.284 1.00 0.00 H new ATOM 0 HG23 VAL A 43 33.646 15.577 42.470 1.00 0.00 H new ATOM 744 N SER A 44 32.063 15.754 40.051 1.00 0.00 N ATOM 745 CA SER A 44 30.691 15.229 39.914 1.00 0.00 C ATOM 746 C SER A 44 30.273 14.976 38.443 1.00 0.00 C ATOM 747 O SER A 44 29.272 14.307 38.175 1.00 0.00 O ATOM 748 CB SER A 44 29.724 16.183 40.635 1.00 0.00 C ATOM 749 OG SER A 44 28.427 15.625 40.766 1.00 0.00 O ATOM 0 H SER A 44 32.088 16.733 40.336 1.00 0.00 H new ATOM 0 HA SER A 44 30.653 14.246 40.383 1.00 0.00 H new ATOM 0 HB2 SER A 44 30.118 16.420 41.623 1.00 0.00 H new ATOM 0 HB3 SER A 44 29.661 17.121 40.083 1.00 0.00 H new ATOM 0 HG SER A 44 28.279 14.970 40.053 1.00 0.00 H new ATOM 755 N GLY A 45 31.060 15.466 37.473 1.00 0.00 N ATOM 756 CA GLY A 45 30.920 15.201 36.032 1.00 0.00 C ATOM 757 C GLY A 45 30.239 16.308 35.209 1.00 0.00 C ATOM 758 O GLY A 45 30.288 16.261 33.979 1.00 0.00 O ATOM 0 H GLY A 45 31.845 16.084 37.680 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.912 15.024 35.617 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.352 14.279 35.905 1.00 0.00 H new ATOM 762 N ALA A 46 29.634 17.313 35.849 1.00 0.00 N ATOM 763 CA ALA A 46 29.048 18.472 35.167 1.00 0.00 C ATOM 764 C ALA A 46 30.126 19.426 34.604 1.00 0.00 C ATOM 765 O ALA A 46 31.118 19.720 35.276 1.00 0.00 O ATOM 766 CB ALA A 46 28.097 19.194 36.131 1.00 0.00 C ATOM 0 H ALA A 46 29.536 17.346 36.864 1.00 0.00 H new ATOM 0 HA ALA A 46 28.483 18.120 34.304 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.658 20.057 35.631 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.305 18.512 36.440 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.652 19.527 37.008 1.00 0.00 H new ATOM 772 N ALA A 47 29.908 19.927 33.383 1.00 0.00 N ATOM 773 CA ALA A 47 30.729 20.958 32.743 1.00 0.00 C ATOM 774 C ALA A 47 30.112 22.362 32.892 1.00 0.00 C ATOM 775 O ALA A 47 28.884 22.505 32.973 1.00 0.00 O ATOM 776 CB ALA A 47 30.947 20.576 31.274 1.00 0.00 C ATOM 0 H ALA A 47 29.133 19.617 32.797 1.00 0.00 H new ATOM 0 HA ALA A 47 31.696 21.007 33.244 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.557 21.337 30.787 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.456 19.613 31.220 1.00 0.00 H new ATOM 0 HB3 ALA A 47 29.983 20.506 30.769 1.00 0.00 H new ATOM 782 N PHE A 48 30.958 23.397 32.886 1.00 0.00 N ATOM 783 CA PHE A 48 30.570 24.800 33.065 1.00 0.00 C ATOM 784 C PHE A 48 31.347 25.738 32.130 1.00 0.00 C ATOM 785 O PHE A 48 32.577 25.764 32.172 1.00 0.00 O ATOM 786 CB PHE A 48 30.785 25.252 34.521 1.00 0.00 C ATOM 787 CG PHE A 48 30.331 24.290 35.601 1.00 0.00 C ATOM 788 CD1 PHE A 48 28.981 24.247 35.990 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.270 23.460 36.239 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.564 23.367 37.004 1.00 0.00 C ATOM 791 CE2 PHE A 48 30.858 22.597 37.267 1.00 0.00 C ATOM 792 CZ PHE A 48 29.503 22.541 37.647 1.00 0.00 C ATOM 0 H PHE A 48 31.962 23.278 32.752 1.00 0.00 H new ATOM 0 HA PHE A 48 29.511 24.861 32.815 1.00 0.00 H new ATOM 0 HB2 PHE A 48 31.848 25.449 34.664 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.263 26.198 34.665 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.261 24.892 35.508 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.307 23.486 35.939 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.523 23.325 37.289 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.583 21.973 37.769 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.186 21.867 38.429 1.00 0.00 H new ATOM 802 N ALA A 49 30.660 26.541 31.318 1.00 0.00 N ATOM 803 CA ALA A 49 31.286 27.533 30.435 1.00 0.00 C ATOM 804 C ALA A 49 31.271 28.939 31.063 1.00 0.00 C ATOM 805 O ALA A 49 30.252 29.372 31.609 1.00 0.00 O ATOM 806 CB ALA A 49 30.619 27.502 29.055 1.00 0.00 C ATOM 0 H ALA A 49 29.642 26.523 31.252 1.00 0.00 H new ATOM 0 HA ALA A 49 32.336 27.271 30.304 1.00 0.00 H new ATOM 0 HB1 ALA A 49 31.090 28.241 28.407 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.734 26.510 28.618 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.559 27.733 29.158 1.00 0.00 H new ATOM 812 N PHE A 50 32.396 29.652 30.951 1.00 0.00 N ATOM 813 CA PHE A 50 32.593 31.008 31.475 1.00 0.00 C ATOM 814 C PHE A 50 33.215 31.921 30.406 1.00 0.00 C ATOM 815 O PHE A 50 34.230 31.584 29.790 1.00 0.00 O ATOM 816 CB PHE A 50 33.466 30.971 32.733 1.00 0.00 C ATOM 817 CG PHE A 50 32.770 30.531 34.008 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.503 29.170 34.259 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.441 31.493 34.978 1.00 0.00 C ATOM 820 CE1 PHE A 50 31.962 28.775 35.495 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.891 31.097 36.208 1.00 0.00 C ATOM 822 CZ PHE A 50 31.672 29.739 36.475 1.00 0.00 C ATOM 0 H PHE A 50 33.223 29.289 30.477 1.00 0.00 H new ATOM 0 HA PHE A 50 31.620 31.419 31.743 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.306 30.300 32.550 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.882 31.966 32.893 1.00 0.00 H new ATOM 0 HD1 PHE A 50 32.714 28.430 33.501 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.612 32.540 34.777 1.00 0.00 H new ATOM 0 HE1 PHE A 50 31.769 27.731 35.691 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.636 31.840 36.949 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.280 29.433 37.434 1.00 0.00 H new ATOM 832 N ILE A 51 32.597 33.087 30.196 1.00 0.00 N ATOM 833 CA ILE A 51 32.870 33.985 29.064 1.00 0.00 C ATOM 834 C ILE A 51 32.814 35.449 29.520 1.00 0.00 C ATOM 835 O ILE A 51 31.817 35.855 30.110 1.00 0.00 O ATOM 836 CB ILE A 51 31.853 33.740 27.917 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.748 32.265 27.450 1.00 0.00 C ATOM 838 CG2 ILE A 51 32.209 34.614 26.703 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.627 31.469 28.133 1.00 0.00 C ATOM 0 H ILE A 51 31.875 33.444 30.822 1.00 0.00 H new ATOM 0 HA ILE A 51 33.871 33.773 28.689 1.00 0.00 H new ATOM 0 HB ILE A 51 30.882 34.007 28.334 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.587 32.247 26.372 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.699 31.767 27.638 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.490 34.436 25.903 1.00 0.00 H new ATOM 0 HG22 ILE A 51 32.179 35.665 26.990 1.00 0.00 H new ATOM 0 HG23 ILE A 51 33.210 34.362 26.354 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.621 30.448 27.751 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.796 31.453 29.210 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.667 31.940 27.924 1.00 0.00 H new ATOM 851 N GLU A 52 33.842 36.256 29.238 1.00 0.00 N ATOM 852 CA GLU A 52 33.819 37.713 29.447 1.00 0.00 C ATOM 853 C GLU A 52 33.227 38.474 28.249 1.00 0.00 C ATOM 854 O GLU A 52 33.667 38.274 27.115 1.00 0.00 O ATOM 855 CB GLU A 52 35.225 38.268 29.730 1.00 0.00 C ATOM 856 CG GLU A 52 35.652 38.158 31.196 1.00 0.00 C ATOM 857 CD GLU A 52 36.801 39.141 31.493 1.00 0.00 C ATOM 858 OE1 GLU A 52 37.920 38.954 30.957 1.00 0.00 O ATOM 859 OE2 GLU A 52 36.589 40.105 32.271 1.00 0.00 O ATOM 0 H GLU A 52 34.724 35.916 28.854 1.00 0.00 H new ATOM 0 HA GLU A 52 33.178 37.871 30.314 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.947 37.735 29.111 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.259 39.315 29.430 1.00 0.00 H new ATOM 0 HG2 GLU A 52 34.804 38.372 31.846 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.971 37.139 31.414 1.00 0.00 H new ATOM 866 N PHE A 53 32.307 39.409 28.510 1.00 0.00 N ATOM 867 CA PHE A 53 31.725 40.350 27.537 1.00 0.00 C ATOM 868 C PHE A 53 32.154 41.808 27.794 1.00 0.00 C ATOM 869 O PHE A 53 32.423 42.203 28.930 1.00 0.00 O ATOM 870 CB PHE A 53 30.186 40.272 27.583 1.00 0.00 C ATOM 871 CG PHE A 53 29.531 39.406 26.525 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.759 39.661 25.156 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.591 38.431 26.902 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.051 38.942 24.178 1.00 0.00 C ATOM 875 CE2 PHE A 53 27.857 37.739 25.920 1.00 0.00 C ATOM 876 CZ PHE A 53 28.094 37.990 24.561 1.00 0.00 C ATOM 0 H PHE A 53 31.928 39.539 29.448 1.00 0.00 H new ATOM 0 HA PHE A 53 32.097 40.056 26.556 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.890 39.899 28.563 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.788 41.283 27.494 1.00 0.00 H new ATOM 0 HD1 PHE A 53 30.479 40.410 24.859 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.432 38.212 27.948 1.00 0.00 H new ATOM 0 HE1 PHE A 53 29.244 39.122 23.131 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.111 37.015 26.213 1.00 0.00 H new ATOM 0 HZ PHE A 53 27.539 37.450 23.808 1.00 0.00 H new ATOM 886 N GLU A 54 32.151 42.637 26.742 1.00 0.00 N ATOM 887 CA GLU A 54 32.399 44.084 26.848 1.00 0.00 C ATOM 888 C GLU A 54 31.202 44.898 27.389 1.00 0.00 C ATOM 889 O GLU A 54 31.403 45.999 27.902 1.00 0.00 O ATOM 890 CB GLU A 54 32.898 44.624 25.489 1.00 0.00 C ATOM 891 CG GLU A 54 31.834 44.747 24.373 1.00 0.00 C ATOM 892 CD GLU A 54 31.216 46.148 24.173 1.00 0.00 C ATOM 893 OE1 GLU A 54 31.571 47.141 24.850 1.00 0.00 O ATOM 894 OE2 GLU A 54 30.326 46.296 23.303 1.00 0.00 O ATOM 0 H GLU A 54 31.976 42.323 25.788 1.00 0.00 H new ATOM 0 HA GLU A 54 33.176 44.218 27.601 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.340 45.607 25.652 1.00 0.00 H new ATOM 0 HB3 GLU A 54 33.695 43.972 25.133 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.287 44.434 23.432 1.00 0.00 H new ATOM 0 HG3 GLU A 54 31.029 44.045 24.588 1.00 0.00 H new ATOM 901 N ASP A 55 29.967 44.378 27.309 1.00 0.00 N ATOM 902 CA ASP A 55 28.740 45.122 27.651 1.00 0.00 C ATOM 903 C ASP A 55 27.620 44.228 28.211 1.00 0.00 C ATOM 904 O ASP A 55 27.290 43.190 27.634 1.00 0.00 O ATOM 905 CB ASP A 55 28.248 45.886 26.409 1.00 0.00 C ATOM 906 CG ASP A 55 27.689 47.273 26.741 1.00 0.00 C ATOM 907 OD1 ASP A 55 27.059 47.434 27.812 1.00 0.00 O ATOM 908 OD2 ASP A 55 27.895 48.203 25.923 1.00 0.00 O ATOM 0 H ASP A 55 29.788 43.422 27.003 1.00 0.00 H new ATOM 0 HA ASP A 55 28.995 45.819 28.449 1.00 0.00 H new ATOM 0 HB2 ASP A 55 29.073 45.992 25.704 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.476 45.299 25.911 1.00 0.00 H new ATOM 913 N ALA A 56 27.021 44.640 29.336 1.00 0.00 N ATOM 914 CA ALA A 56 26.053 43.843 30.091 1.00 0.00 C ATOM 915 C ALA A 56 24.652 43.800 29.449 1.00 0.00 C ATOM 916 O ALA A 56 24.127 42.719 29.180 1.00 0.00 O ATOM 917 CB ALA A 56 26.000 44.399 31.520 1.00 0.00 C ATOM 0 H ALA A 56 27.201 45.554 29.752 1.00 0.00 H new ATOM 0 HA ALA A 56 26.386 42.805 30.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.285 43.824 32.108 1.00 0.00 H new ATOM 0 HB2 ALA A 56 26.987 44.325 31.976 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.690 45.444 31.493 1.00 0.00 H new ATOM 923 N ARG A 57 24.030 44.961 29.193 1.00 0.00 N ATOM 924 CA ARG A 57 22.635 45.043 28.702 1.00 0.00 C ATOM 925 C ARG A 57 22.430 44.516 27.275 1.00 0.00 C ATOM 926 O ARG A 57 21.328 44.091 26.937 1.00 0.00 O ATOM 927 CB ARG A 57 22.045 46.455 28.889 1.00 0.00 C ATOM 928 CG ARG A 57 22.557 47.566 27.946 1.00 0.00 C ATOM 929 CD ARG A 57 23.949 48.112 28.292 1.00 0.00 C ATOM 930 NE ARG A 57 23.949 48.857 29.569 1.00 0.00 N ATOM 931 CZ ARG A 57 24.997 49.393 30.167 1.00 0.00 C ATOM 932 NH1 ARG A 57 26.217 49.201 29.755 1.00 0.00 N ATOM 933 NH2 ARG A 57 24.834 50.152 31.214 1.00 0.00 N ATOM 0 H ARG A 57 24.474 45.871 29.318 1.00 0.00 H new ATOM 0 HA ARG A 57 22.071 44.357 29.334 1.00 0.00 H new ATOM 0 HB2 ARG A 57 20.963 46.387 28.774 1.00 0.00 H new ATOM 0 HB3 ARG A 57 22.237 46.768 29.915 1.00 0.00 H new ATOM 0 HG2 ARG A 57 22.577 47.178 26.928 1.00 0.00 H new ATOM 0 HG3 ARG A 57 21.845 48.391 27.959 1.00 0.00 H new ATOM 0 HD2 ARG A 57 24.657 47.286 28.354 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.292 48.766 27.490 1.00 0.00 H new ATOM 0 HE ARG A 57 23.049 48.968 30.035 1.00 0.00 H new ATOM 0 HH11 ARG A 57 26.393 48.616 28.938 1.00 0.00 H new ATOM 0 HH12 ARG A 57 26.996 49.636 30.249 1.00 0.00 H new ATOM 0 HH21 ARG A 57 23.896 50.332 31.572 1.00 0.00 H new ATOM 0 HH22 ARG A 57 25.644 50.566 31.675 1.00 0.00 H new ATOM 947 N ASP A 58 23.479 44.508 26.452 1.00 0.00 N ATOM 948 CA ASP A 58 23.456 43.893 25.114 1.00 0.00 C ATOM 949 C ASP A 58 23.516 42.355 25.218 1.00 0.00 C ATOM 950 O ASP A 58 22.684 41.642 24.650 1.00 0.00 O ATOM 951 CB ASP A 58 24.613 44.485 24.287 1.00 0.00 C ATOM 952 CG ASP A 58 24.488 44.282 22.761 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.552 43.602 22.282 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.317 44.866 22.022 1.00 0.00 O ATOM 0 H ASP A 58 24.377 44.929 26.692 1.00 0.00 H new ATOM 0 HA ASP A 58 22.520 44.120 24.604 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.679 45.553 24.493 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.548 44.037 24.624 1.00 0.00 H new ATOM 959 N ALA A 59 24.425 41.831 26.049 1.00 0.00 N ATOM 960 CA ALA A 59 24.546 40.405 26.357 1.00 0.00 C ATOM 961 C ALA A 59 23.347 39.820 27.131 1.00 0.00 C ATOM 962 O ALA A 59 23.082 38.619 27.033 1.00 0.00 O ATOM 963 CB ALA A 59 25.848 40.219 27.133 1.00 0.00 C ATOM 0 H ALA A 59 25.113 42.404 26.537 1.00 0.00 H new ATOM 0 HA ALA A 59 24.555 39.850 25.419 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.976 39.166 27.382 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.687 40.551 26.521 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.812 40.807 28.050 1.00 0.00 H new ATOM 969 N ALA A 60 22.585 40.642 27.861 1.00 0.00 N ATOM 970 CA ALA A 60 21.377 40.219 28.575 1.00 0.00 C ATOM 971 C ALA A 60 20.304 39.602 27.649 1.00 0.00 C ATOM 972 O ALA A 60 19.555 38.720 28.078 1.00 0.00 O ATOM 973 CB ALA A 60 20.823 41.430 29.337 1.00 0.00 C ATOM 0 H ALA A 60 22.794 41.634 27.973 1.00 0.00 H new ATOM 0 HA ALA A 60 21.648 39.422 29.267 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.922 41.139 29.877 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.571 41.788 30.045 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.582 42.225 28.631 1.00 0.00 H new ATOM 979 N ASP A 61 20.256 40.002 26.374 1.00 0.00 N ATOM 980 CA ASP A 61 19.365 39.406 25.367 1.00 0.00 C ATOM 981 C ASP A 61 19.752 37.973 24.954 1.00 0.00 C ATOM 982 O ASP A 61 18.893 37.244 24.452 1.00 0.00 O ATOM 983 CB ASP A 61 19.257 40.323 24.136 1.00 0.00 C ATOM 984 CG ASP A 61 18.409 41.586 24.374 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.493 41.564 25.234 1.00 0.00 O ATOM 986 OD2 ASP A 61 18.601 42.582 23.637 1.00 0.00 O ATOM 0 H ASP A 61 20.838 40.755 26.007 1.00 0.00 H new ATOM 0 HA ASP A 61 18.388 39.318 25.843 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.259 40.622 23.828 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.826 39.757 23.310 1.00 0.00 H new ATOM 991 N ALA A 62 20.995 37.538 25.194 1.00 0.00 N ATOM 992 CA ALA A 62 21.409 36.150 24.975 1.00 0.00 C ATOM 993 C ALA A 62 20.836 35.223 26.060 1.00 0.00 C ATOM 994 O ALA A 62 20.117 34.273 25.754 1.00 0.00 O ATOM 995 CB ALA A 62 22.941 36.069 24.909 1.00 0.00 C ATOM 0 H ALA A 62 21.740 38.139 25.545 1.00 0.00 H new ATOM 0 HA ALA A 62 21.007 35.807 24.022 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.244 35.035 24.746 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.303 36.687 24.087 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.365 36.428 25.847 1.00 0.00 H new ATOM 1001 N ILE A 63 21.107 35.512 27.341 1.00 0.00 N ATOM 1002 CA ILE A 63 20.707 34.645 28.465 1.00 0.00 C ATOM 1003 C ILE A 63 19.190 34.457 28.554 1.00 0.00 C ATOM 1004 O ILE A 63 18.746 33.327 28.740 1.00 0.00 O ATOM 1005 CB ILE A 63 21.353 35.095 29.798 1.00 0.00 C ATOM 1006 CG1 ILE A 63 20.956 34.193 30.995 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.158 36.589 30.105 1.00 0.00 C ATOM 1008 CD1 ILE A 63 19.721 34.600 31.816 1.00 0.00 C ATOM 0 H ILE A 63 21.609 36.352 27.630 1.00 0.00 H new ATOM 0 HA ILE A 63 21.104 33.651 28.259 1.00 0.00 H new ATOM 0 HB ILE A 63 22.425 34.962 29.650 1.00 0.00 H new ATOM 0 HG12 ILE A 63 20.789 33.185 30.615 1.00 0.00 H new ATOM 0 HG13 ILE A 63 21.808 34.141 31.673 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.637 36.831 31.054 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.606 37.185 29.310 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.093 36.811 30.169 1.00 0.00 H new ATOM 0 HD11 ILE A 63 19.564 33.879 32.618 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.878 35.590 32.243 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.844 34.619 31.169 1.00 0.00 H new ATOM 1020 N LYS A 64 18.379 35.497 28.313 1.00 0.00 N ATOM 1021 CA LYS A 64 16.904 35.380 28.302 1.00 0.00 C ATOM 1022 C LYS A 64 16.336 34.505 27.169 1.00 0.00 C ATOM 1023 O LYS A 64 15.147 34.196 27.170 1.00 0.00 O ATOM 1024 CB LYS A 64 16.255 36.773 28.399 1.00 0.00 C ATOM 1025 CG LYS A 64 16.434 37.702 27.184 1.00 0.00 C ATOM 1026 CD LYS A 64 15.413 37.466 26.057 1.00 0.00 C ATOM 1027 CE LYS A 64 15.503 38.514 24.935 1.00 0.00 C ATOM 1028 NZ LYS A 64 15.087 39.870 25.380 1.00 0.00 N ATOM 0 H LYS A 64 18.719 36.439 28.121 1.00 0.00 H new ATOM 0 HA LYS A 64 16.626 34.822 29.196 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.187 36.640 28.572 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.660 37.277 29.276 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.358 38.737 27.517 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.439 37.569 26.783 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.571 36.474 25.634 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.407 37.477 26.477 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.527 38.556 24.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.875 38.202 24.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.346 40.231 24.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.717 39.819 26.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.906 40.510 25.355 1.00 0.00 H new ATOM 1042 N GLU A 65 17.172 34.096 26.210 1.00 0.00 N ATOM 1043 CA GLU A 65 16.862 33.108 25.162 1.00 0.00 C ATOM 1044 C GLU A 65 17.341 31.681 25.532 1.00 0.00 C ATOM 1045 O GLU A 65 16.785 30.700 25.033 1.00 0.00 O ATOM 1046 CB GLU A 65 17.387 33.648 23.806 1.00 0.00 C ATOM 1047 CG GLU A 65 18.436 32.823 23.039 1.00 0.00 C ATOM 1048 CD GLU A 65 17.877 31.660 22.187 1.00 0.00 C ATOM 1049 OE1 GLU A 65 16.675 31.651 21.824 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.680 30.767 21.817 1.00 0.00 O ATOM 0 H GLU A 65 18.123 34.457 26.136 1.00 0.00 H new ATOM 0 HA GLU A 65 15.783 32.985 25.067 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.528 33.783 23.149 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.810 34.636 23.985 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.993 33.494 22.385 1.00 0.00 H new ATOM 0 HG3 GLU A 65 19.147 32.415 23.757 1.00 0.00 H new ATOM 1057 N LYS A 66 18.335 31.548 26.429 1.00 0.00 N ATOM 1058 CA LYS A 66 18.895 30.267 26.910 1.00 0.00 C ATOM 1059 C LYS A 66 18.335 29.786 28.265 1.00 0.00 C ATOM 1060 O LYS A 66 18.539 28.625 28.623 1.00 0.00 O ATOM 1061 CB LYS A 66 20.433 30.368 27.004 1.00 0.00 C ATOM 1062 CG LYS A 66 21.188 30.877 25.768 1.00 0.00 C ATOM 1063 CD LYS A 66 20.930 30.063 24.493 1.00 0.00 C ATOM 1064 CE LYS A 66 21.757 30.658 23.348 1.00 0.00 C ATOM 1065 NZ LYS A 66 21.376 30.081 22.039 1.00 0.00 N ATOM 0 H LYS A 66 18.788 32.357 26.855 1.00 0.00 H new ATOM 0 HA LYS A 66 18.590 29.523 26.174 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.676 31.024 27.840 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.820 29.380 27.251 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.907 31.914 25.586 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.257 30.869 25.980 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.201 29.019 24.651 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.870 30.082 24.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 21.619 31.739 23.323 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.816 30.476 23.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.043 30.404 21.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.402 29.043 22.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.415 30.390 21.790 1.00 0.00 H new ATOM 1079 N ASP A 67 17.690 30.668 29.033 1.00 0.00 N ATOM 1080 CA ASP A 67 17.272 30.451 30.432 1.00 0.00 C ATOM 1081 C ASP A 67 16.156 29.396 30.648 1.00 0.00 C ATOM 1082 O ASP A 67 15.667 28.747 29.717 1.00 0.00 O ATOM 1083 CB ASP A 67 16.899 31.803 31.080 1.00 0.00 C ATOM 1084 CG ASP A 67 15.596 32.467 30.590 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.899 31.933 29.696 1.00 0.00 O ATOM 1086 OD2 ASP A 67 15.246 33.536 31.142 1.00 0.00 O ATOM 0 H ASP A 67 17.431 31.593 28.689 1.00 0.00 H new ATOM 0 HA ASP A 67 18.138 30.014 30.929 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.822 31.655 32.157 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.720 32.500 30.912 1.00 0.00 H new ATOM 1091 N GLY A 68 15.771 29.214 31.919 1.00 0.00 N ATOM 1092 CA GLY A 68 14.867 28.161 32.397 1.00 0.00 C ATOM 1093 C GLY A 68 15.655 26.910 32.782 1.00 0.00 C ATOM 1094 O GLY A 68 15.792 25.985 31.978 1.00 0.00 O ATOM 0 H GLY A 68 16.095 29.822 32.672 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.303 28.521 33.257 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.142 27.916 31.621 1.00 0.00 H new ATOM 1098 N CYS A 69 16.223 26.900 33.994 1.00 0.00 N ATOM 1099 CA CYS A 69 17.131 25.844 34.445 1.00 0.00 C ATOM 1100 C CYS A 69 16.417 24.490 34.647 1.00 0.00 C ATOM 1101 O CYS A 69 15.468 24.368 35.428 1.00 0.00 O ATOM 1102 CB CYS A 69 17.907 26.306 35.693 1.00 0.00 C ATOM 1103 SG CYS A 69 16.801 26.831 37.040 1.00 0.00 S ATOM 0 H CYS A 69 16.064 27.628 34.690 1.00 0.00 H new ATOM 0 HA CYS A 69 17.857 25.663 33.652 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.543 25.493 36.044 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.565 27.132 35.424 1.00 0.00 H new ATOM 0 HG CYS A 69 15.761 26.052 37.076 1.00 0.00 H new ATOM 1109 N ASP A 70 16.908 23.467 33.952 1.00 0.00 N ATOM 1110 CA ASP A 70 16.461 22.073 34.012 1.00 0.00 C ATOM 1111 C ASP A 70 17.385 21.204 34.883 1.00 0.00 C ATOM 1112 O ASP A 70 18.612 21.330 34.840 1.00 0.00 O ATOM 1113 CB ASP A 70 16.379 21.492 32.593 1.00 0.00 C ATOM 1114 CG ASP A 70 15.229 22.044 31.730 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.195 22.502 32.274 1.00 0.00 O ATOM 1116 OD2 ASP A 70 15.329 21.943 30.484 1.00 0.00 O ATOM 0 H ASP A 70 17.675 23.594 33.291 1.00 0.00 H new ATOM 0 HA ASP A 70 15.474 22.063 34.474 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.322 21.686 32.082 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.272 20.410 32.665 1.00 0.00 H new ATOM 1121 N PHE A 71 16.773 20.296 35.645 1.00 0.00 N ATOM 1122 CA PHE A 71 17.418 19.363 36.575 1.00 0.00 C ATOM 1123 C PHE A 71 16.554 18.103 36.790 1.00 0.00 C ATOM 1124 O PHE A 71 15.393 18.051 36.380 1.00 0.00 O ATOM 1125 CB PHE A 71 17.718 20.094 37.901 1.00 0.00 C ATOM 1126 CG PHE A 71 16.600 20.973 38.447 1.00 0.00 C ATOM 1127 CD1 PHE A 71 15.436 20.398 38.991 1.00 0.00 C ATOM 1128 CD2 PHE A 71 16.725 22.377 38.404 1.00 0.00 C ATOM 1129 CE1 PHE A 71 14.407 21.218 39.490 1.00 0.00 C ATOM 1130 CE2 PHE A 71 15.698 23.197 38.905 1.00 0.00 C ATOM 1131 CZ PHE A 71 14.539 22.617 39.448 1.00 0.00 C ATOM 0 H PHE A 71 15.759 20.184 35.630 1.00 0.00 H new ATOM 0 HA PHE A 71 18.361 19.020 36.149 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.968 19.348 38.655 1.00 0.00 H new ATOM 0 HB3 PHE A 71 18.604 20.713 37.759 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.332 19.324 39.026 1.00 0.00 H new ATOM 0 HD2 PHE A 71 17.614 22.825 37.984 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.515 20.772 39.905 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.800 24.272 38.872 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.750 23.246 39.833 1.00 0.00 H new ATOM 1141 N GLU A 72 17.118 17.080 37.448 1.00 0.00 N ATOM 1142 CA GLU A 72 16.456 15.805 37.817 1.00 0.00 C ATOM 1143 C GLU A 72 15.925 14.960 36.630 1.00 0.00 C ATOM 1144 O GLU A 72 15.098 14.059 36.810 1.00 0.00 O ATOM 1145 CB GLU A 72 15.406 16.025 38.930 1.00 0.00 C ATOM 1146 CG GLU A 72 16.018 16.579 40.226 1.00 0.00 C ATOM 1147 CD GLU A 72 14.993 16.657 41.378 1.00 0.00 C ATOM 1148 OE1 GLU A 72 13.806 16.990 41.146 1.00 0.00 O ATOM 1149 OE2 GLU A 72 15.379 16.396 42.545 1.00 0.00 O ATOM 0 H GLU A 72 18.090 17.113 37.754 1.00 0.00 H new ATOM 0 HA GLU A 72 17.248 15.176 38.222 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.642 16.714 38.571 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.907 15.080 39.144 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.853 15.947 40.529 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.423 17.573 40.037 1.00 0.00 H new ATOM 1156 N GLY A 73 16.418 15.214 35.413 1.00 0.00 N ATOM 1157 CA GLY A 73 16.096 14.452 34.199 1.00 0.00 C ATOM 1158 C GLY A 73 16.741 15.089 32.969 1.00 0.00 C ATOM 1159 O GLY A 73 17.801 14.652 32.516 1.00 0.00 O ATOM 0 H GLY A 73 17.071 15.978 35.239 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.444 13.425 34.306 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.015 14.410 34.067 1.00 0.00 H new ATOM 1163 N ASN A 74 16.142 16.182 32.488 1.00 0.00 N ATOM 1164 CA ASN A 74 16.824 17.146 31.618 1.00 0.00 C ATOM 1165 C ASN A 74 17.935 17.888 32.394 1.00 0.00 C ATOM 1166 O ASN A 74 17.891 17.974 33.624 1.00 0.00 O ATOM 1167 CB ASN A 74 15.785 18.112 31.016 1.00 0.00 C ATOM 1168 CG ASN A 74 14.788 17.437 30.086 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.118 16.565 29.294 1.00 0.00 O ATOM 1170 ND2 ASN A 74 13.529 17.812 30.151 1.00 0.00 N ATOM 0 H ASN A 74 15.172 16.424 32.690 1.00 0.00 H new ATOM 0 HA ASN A 74 17.313 16.622 30.797 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.241 18.597 31.826 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.306 18.896 30.467 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.835 17.376 29.543 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.247 18.538 30.809 1.00 0.00 H new ATOM 1177 N LYS A 75 18.937 18.417 31.677 1.00 0.00 N ATOM 1178 CA LYS A 75 20.137 19.050 32.260 1.00 0.00 C ATOM 1179 C LYS A 75 20.672 20.194 31.393 1.00 0.00 C ATOM 1180 O LYS A 75 21.483 20.000 30.489 1.00 0.00 O ATOM 1181 CB LYS A 75 21.182 17.963 32.602 1.00 0.00 C ATOM 1182 CG LYS A 75 21.682 17.109 31.414 1.00 0.00 C ATOM 1183 CD LYS A 75 22.152 15.711 31.840 1.00 0.00 C ATOM 1184 CE LYS A 75 20.960 14.824 32.226 1.00 0.00 C ATOM 1185 NZ LYS A 75 21.382 13.443 32.579 1.00 0.00 N ATOM 0 H LYS A 75 18.940 18.419 30.657 1.00 0.00 H new ATOM 0 HA LYS A 75 19.868 19.538 33.197 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.043 18.446 33.064 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.752 17.295 33.349 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.881 17.010 30.682 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.503 17.628 30.920 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.707 15.246 31.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.836 15.795 32.685 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.436 15.270 33.071 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.253 14.786 31.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.546 12.879 32.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.860 13.007 31.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.036 13.476 33.387 1.00 0.00 H new ATOM 1199 N LEU A 76 20.167 21.399 31.663 1.00 0.00 N ATOM 1200 CA LEU A 76 20.595 22.675 31.077 1.00 0.00 C ATOM 1201 C LEU A 76 20.375 23.779 32.124 1.00 0.00 C ATOM 1202 O LEU A 76 19.228 24.064 32.468 1.00 0.00 O ATOM 1203 CB LEU A 76 19.783 23.028 29.803 1.00 0.00 C ATOM 1204 CG LEU A 76 19.986 22.134 28.559 1.00 0.00 C ATOM 1205 CD1 LEU A 76 18.925 21.034 28.455 1.00 0.00 C ATOM 1206 CD2 LEU A 76 19.875 22.970 27.282 1.00 0.00 C ATOM 0 H LEU A 76 19.407 21.520 32.332 1.00 0.00 H new ATOM 0 HA LEU A 76 21.644 22.591 30.793 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.724 23.009 30.062 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.024 24.054 29.524 1.00 0.00 H new ATOM 0 HG LEU A 76 20.974 21.686 28.666 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.110 20.433 27.565 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.972 20.398 29.339 1.00 0.00 H new ATOM 0 HD13 LEU A 76 17.936 21.488 28.387 1.00 0.00 H new ATOM 0 HD21 LEU A 76 20.020 22.328 26.413 1.00 0.00 H new ATOM 0 HD22 LEU A 76 18.888 23.430 27.233 1.00 0.00 H new ATOM 0 HD23 LEU A 76 20.638 23.748 27.289 1.00 0.00 H new ATOM 1218 N ARG A 77 21.437 24.418 32.622 1.00 0.00 N ATOM 1219 CA ARG A 77 21.358 25.557 33.555 1.00 0.00 C ATOM 1220 C ARG A 77 22.134 26.756 33.006 1.00 0.00 C ATOM 1221 O ARG A 77 23.236 26.610 32.482 1.00 0.00 O ATOM 1222 CB ARG A 77 21.783 25.101 34.969 1.00 0.00 C ATOM 1223 CG ARG A 77 22.206 26.256 35.891 1.00 0.00 C ATOM 1224 CD ARG A 77 22.334 25.851 37.365 1.00 0.00 C ATOM 1225 NE ARG A 77 21.057 26.026 38.091 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.913 26.129 39.402 1.00 0.00 C ATOM 1227 NH1 ARG A 77 21.919 25.977 40.216 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.750 26.399 39.920 1.00 0.00 N ATOM 0 H ARG A 77 22.395 24.158 32.387 1.00 0.00 H new ATOM 0 HA ARG A 77 20.330 25.906 33.649 1.00 0.00 H new ATOM 0 HB2 ARG A 77 20.955 24.563 35.432 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.611 24.397 34.880 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.162 26.652 35.548 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.478 27.062 35.807 1.00 0.00 H new ATOM 0 HD2 ARG A 77 22.651 24.810 37.431 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.109 26.451 37.842 1.00 0.00 H new ATOM 0 HE ARG A 77 20.208 26.072 37.528 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.848 25.773 39.847 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.778 26.062 41.223 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.941 26.533 39.314 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.648 26.477 40.932 1.00 0.00 H new ATOM 1242 N VAL A 78 21.559 27.949 33.144 1.00 0.00 N ATOM 1243 CA VAL A 78 22.140 29.220 32.683 1.00 0.00 C ATOM 1244 C VAL A 78 21.788 30.321 33.678 1.00 0.00 C ATOM 1245 O VAL A 78 20.630 30.447 34.078 1.00 0.00 O ATOM 1246 CB VAL A 78 21.640 29.617 31.272 1.00 0.00 C ATOM 1247 CG1 VAL A 78 22.568 30.674 30.665 1.00 0.00 C ATOM 1248 CG2 VAL A 78 21.553 28.436 30.296 1.00 0.00 C ATOM 0 H VAL A 78 20.650 28.067 33.592 1.00 0.00 H new ATOM 0 HA VAL A 78 23.220 29.090 32.621 1.00 0.00 H new ATOM 0 HB VAL A 78 20.631 30.006 31.412 1.00 0.00 H new ATOM 0 HG11 VAL A 78 22.209 30.947 29.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.579 31.558 31.303 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.577 30.270 30.587 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.196 28.789 29.329 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.540 27.989 30.177 1.00 0.00 H new ATOM 0 HG23 VAL A 78 20.861 27.690 30.688 1.00 0.00 H new ATOM 1258 N GLU A 79 22.772 31.120 34.085 1.00 0.00 N ATOM 1259 CA GLU A 79 22.583 32.251 35.001 1.00 0.00 C ATOM 1260 C GLU A 79 23.686 33.293 34.790 1.00 0.00 C ATOM 1261 O GLU A 79 24.853 32.947 34.605 1.00 0.00 O ATOM 1262 CB GLU A 79 22.541 31.750 36.456 1.00 0.00 C ATOM 1263 CG GLU A 79 22.199 32.861 37.461 1.00 0.00 C ATOM 1264 CD GLU A 79 22.084 32.313 38.896 1.00 0.00 C ATOM 1265 OE1 GLU A 79 23.006 31.587 39.340 1.00 0.00 O ATOM 1266 OE2 GLU A 79 21.087 32.631 39.590 1.00 0.00 O ATOM 0 H GLU A 79 23.740 31.001 33.785 1.00 0.00 H new ATOM 0 HA GLU A 79 21.629 32.734 34.788 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.803 30.952 36.539 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.508 31.318 36.714 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.968 33.633 37.426 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.259 33.334 37.175 1.00 0.00 H new ATOM 1273 N VAL A 80 23.330 34.580 34.812 1.00 0.00 N ATOM 1274 CA VAL A 80 24.260 35.680 34.529 1.00 0.00 C ATOM 1275 C VAL A 80 24.276 36.677 35.700 1.00 0.00 C ATOM 1276 O VAL A 80 23.244 37.295 35.972 1.00 0.00 O ATOM 1277 CB VAL A 80 23.910 36.320 33.175 1.00 0.00 C ATOM 1278 CG1 VAL A 80 24.587 37.671 32.961 1.00 0.00 C ATOM 1279 CG2 VAL A 80 24.386 35.423 32.023 1.00 0.00 C ATOM 0 H VAL A 80 22.383 34.892 35.028 1.00 0.00 H new ATOM 0 HA VAL A 80 25.279 35.303 34.441 1.00 0.00 H new ATOM 0 HB VAL A 80 22.827 36.447 33.186 1.00 0.00 H new ATOM 0 HG11 VAL A 80 24.301 38.071 31.988 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.275 38.362 33.744 1.00 0.00 H new ATOM 0 HG13 VAL A 80 25.669 37.546 32.998 1.00 0.00 H new ATOM 0 HG21 VAL A 80 24.132 35.888 31.071 1.00 0.00 H new ATOM 0 HG22 VAL A 80 25.466 35.292 32.086 1.00 0.00 H new ATOM 0 HG23 VAL A 80 23.898 34.451 32.094 1.00 0.00 H new ATOM 1289 N PRO A 81 25.416 36.871 36.397 1.00 0.00 N ATOM 1290 CA PRO A 81 25.508 37.795 37.531 1.00 0.00 C ATOM 1291 C PRO A 81 25.386 39.280 37.133 1.00 0.00 C ATOM 1292 O PRO A 81 24.964 40.094 37.953 1.00 0.00 O ATOM 1293 CB PRO A 81 26.863 37.485 38.188 1.00 0.00 C ATOM 1294 CG PRO A 81 27.708 36.926 37.046 1.00 0.00 C ATOM 1295 CD PRO A 81 26.674 36.158 36.224 1.00 0.00 C ATOM 0 HA PRO A 81 24.672 37.647 38.214 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.313 38.381 38.616 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.758 36.763 38.998 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.183 37.717 36.466 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.504 36.276 37.409 1.00 0.00 H new ATOM 0 HD2 PRO A 81 26.960 36.121 35.173 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.589 35.127 36.568 1.00 0.00 H new ATOM 1303 N PHE A 82 25.710 39.647 35.884 1.00 0.00 N ATOM 1304 CA PHE A 82 25.606 41.025 35.372 1.00 0.00 C ATOM 1305 C PHE A 82 24.199 41.436 34.882 1.00 0.00 C ATOM 1306 O PHE A 82 24.042 42.534 34.345 1.00 0.00 O ATOM 1307 CB PHE A 82 26.693 41.276 34.308 1.00 0.00 C ATOM 1308 CG PHE A 82 26.600 40.493 33.004 1.00 0.00 C ATOM 1309 CD1 PHE A 82 25.629 40.806 32.031 1.00 0.00 C ATOM 1310 CD2 PHE A 82 27.549 39.491 32.724 1.00 0.00 C ATOM 1311 CE1 PHE A 82 25.601 40.121 30.805 1.00 0.00 C ATOM 1312 CE2 PHE A 82 27.539 38.824 31.485 1.00 0.00 C ATOM 1313 CZ PHE A 82 26.559 39.131 30.527 1.00 0.00 C ATOM 0 H PHE A 82 26.057 38.986 35.189 1.00 0.00 H new ATOM 0 HA PHE A 82 25.780 41.680 36.226 1.00 0.00 H new ATOM 0 HB2 PHE A 82 26.684 42.338 34.063 1.00 0.00 H new ATOM 0 HB3 PHE A 82 27.661 41.061 34.760 1.00 0.00 H new ATOM 0 HD1 PHE A 82 24.901 41.579 32.230 1.00 0.00 H new ATOM 0 HD2 PHE A 82 28.290 39.232 33.466 1.00 0.00 H new ATOM 0 HE1 PHE A 82 24.841 40.356 30.074 1.00 0.00 H new ATOM 0 HE2 PHE A 82 28.286 38.075 31.270 1.00 0.00 H new ATOM 0 HZ PHE A 82 26.542 38.609 29.582 1.00 0.00 H new ATOM 1323 N ASN A 83 23.176 40.583 35.032 1.00 0.00 N ATOM 1324 CA ASN A 83 21.844 40.694 34.406 1.00 0.00 C ATOM 1325 C ASN A 83 20.921 41.798 34.996 1.00 0.00 C ATOM 1326 O ASN A 83 19.735 41.569 35.245 1.00 0.00 O ATOM 1327 CB ASN A 83 21.208 39.284 34.406 1.00 0.00 C ATOM 1328 CG ASN A 83 19.984 39.140 33.515 1.00 0.00 C ATOM 1329 OD1 ASN A 83 18.898 38.786 33.950 1.00 0.00 O ATOM 1330 ND2 ASN A 83 20.121 39.383 32.227 1.00 0.00 N ATOM 0 H ASN A 83 23.255 39.755 35.622 1.00 0.00 H new ATOM 0 HA ASN A 83 21.974 41.047 33.383 1.00 0.00 H new ATOM 0 HB2 ASN A 83 21.959 38.561 34.088 1.00 0.00 H new ATOM 0 HB3 ASN A 83 20.930 39.026 35.428 1.00 0.00 H new ATOM 0 HD21 ASN A 83 19.324 39.275 31.600 1.00 0.00 H new ATOM 0 HD22 ASN A 83 21.024 39.679 31.857 1.00 0.00 H new ATOM 1337 N ALA A 84 21.457 43.003 35.220 1.00 0.00 N ATOM 1338 CA ALA A 84 20.718 44.203 35.625 1.00 0.00 C ATOM 1339 C ALA A 84 21.436 45.500 35.194 1.00 0.00 C ATOM 1340 O ALA A 84 20.858 46.312 34.467 1.00 0.00 O ATOM 1341 CB ALA A 84 20.497 44.168 37.147 1.00 0.00 C ATOM 0 H ALA A 84 22.457 43.175 35.120 1.00 0.00 H new ATOM 0 HA ALA A 84 19.753 44.204 35.118 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.948 45.058 37.455 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.925 43.279 37.411 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.461 44.143 37.654 1.00 0.00 H new ATOM 1347 N ARG A 85 22.694 45.690 35.636 1.00 0.00 N ATOM 1348 CA ARG A 85 23.528 46.903 35.439 1.00 0.00 C ATOM 1349 C ARG A 85 22.862 48.218 35.917 1.00 0.00 C ATOM 1350 O ARG A 85 23.226 49.306 35.471 1.00 0.00 O ATOM 1351 CB ARG A 85 24.067 46.952 33.987 1.00 0.00 C ATOM 1352 CG ARG A 85 25.558 47.316 33.854 1.00 0.00 C ATOM 1353 CD ARG A 85 25.944 48.686 34.426 1.00 0.00 C ATOM 1354 NE ARG A 85 27.358 49.016 34.156 1.00 0.00 N ATOM 1355 CZ ARG A 85 27.957 50.163 34.425 1.00 0.00 C ATOM 1356 NH1 ARG A 85 27.323 51.160 34.975 1.00 0.00 N ATOM 1357 NH2 ARG A 85 29.215 50.335 34.137 1.00 0.00 N ATOM 0 H ARG A 85 23.185 44.970 36.166 1.00 0.00 H new ATOM 0 HA ARG A 85 24.389 46.818 36.102 1.00 0.00 H new ATOM 0 HB2 ARG A 85 23.904 45.979 33.523 1.00 0.00 H new ATOM 0 HB3 ARG A 85 23.480 47.677 33.423 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.150 46.550 34.355 1.00 0.00 H new ATOM 0 HG3 ARG A 85 25.830 47.290 32.799 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.303 49.454 33.993 1.00 0.00 H new ATOM 0 HD3 ARG A 85 25.768 48.693 35.502 1.00 0.00 H new ATOM 0 HE ARG A 85 27.926 48.290 33.720 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.335 51.068 35.211 1.00 0.00 H new ATOM 0 HH12 ARG A 85 27.815 52.032 35.170 1.00 0.00 H new ATOM 0 HH21 ARG A 85 29.746 49.581 33.700 1.00 0.00 H new ATOM 0 HH22 ARG A 85 29.670 51.223 34.348 1.00 0.00 H new ATOM 1371 N GLU A 86 21.894 48.122 36.832 1.00 0.00 N ATOM 1372 CA GLU A 86 21.090 49.229 37.400 1.00 0.00 C ATOM 1373 C GLU A 86 20.731 48.991 38.877 1.00 0.00 C ATOM 1374 O GLU A 86 20.348 47.854 39.236 1.00 0.00 O ATOM 1375 CB GLU A 86 19.806 49.448 36.573 1.00 0.00 C ATOM 1376 CG GLU A 86 20.058 49.978 35.148 1.00 0.00 C ATOM 1377 CD GLU A 86 18.771 50.474 34.445 1.00 0.00 C ATOM 1378 OE1 GLU A 86 17.669 49.901 34.655 1.00 0.00 O ATOM 1379 OE2 GLU A 86 18.851 51.442 33.650 1.00 0.00 O ATOM 1380 OXT GLU A 86 20.851 49.948 39.676 1.00 0.00 O ATOM 0 H GLU A 86 21.628 47.219 37.225 1.00 0.00 H new ATOM 0 HA GLU A 86 21.707 50.126 37.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.264 48.505 36.508 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.162 50.150 37.102 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.777 50.796 35.193 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.510 49.188 34.548 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 24.773 24.492 44.767 1.00 0.00 O ATOM 1389 C5' A B 101 24.388 24.127 43.445 1.00 0.00 C ATOM 1390 C4' A B 101 24.689 25.211 42.395 1.00 0.00 C ATOM 1391 O4' A B 101 23.980 26.426 42.640 1.00 0.00 O ATOM 1392 C3' A B 101 26.160 25.619 42.294 1.00 0.00 C ATOM 1393 O3' A B 101 26.995 24.644 41.681 1.00 0.00 O ATOM 1394 C2' A B 101 26.002 26.906 41.466 1.00 0.00 C ATOM 1395 O2' A B 101 25.841 26.625 40.076 1.00 0.00 O ATOM 1396 C1' A B 101 24.668 27.480 41.965 1.00 0.00 C ATOM 1397 N9 A B 101 24.836 28.701 42.803 1.00 0.00 N ATOM 1398 C8 A B 101 24.364 29.963 42.524 1.00 0.00 C ATOM 1399 N7 A B 101 24.617 30.856 43.448 1.00 0.00 N ATOM 1400 C5 A B 101 25.315 30.121 44.418 1.00 0.00 C ATOM 1401 C6 A B 101 25.889 30.423 45.683 1.00 0.00 C ATOM 1402 N6 A B 101 25.874 31.608 46.268 1.00 0.00 N ATOM 1403 N1 A B 101 26.507 29.491 46.410 1.00 0.00 N ATOM 1404 C2 A B 101 26.573 28.266 45.906 1.00 0.00 C ATOM 1405 N3 A B 101 26.091 27.835 44.745 1.00 0.00 N ATOM 1406 C4 A B 101 25.459 28.812 44.034 1.00 0.00 C ATOM 0 H5' A B 101 23.320 23.908 43.434 1.00 0.00 H new ATOM 0 H5'' A B 101 24.904 23.209 43.165 1.00 0.00 H new ATOM 0 H4' A B 101 24.373 24.726 41.471 1.00 0.00 H new ATOM 0 H3' A B 101 26.666 25.742 43.252 1.00 0.00 H new ATOM 0 H2' A B 101 26.869 27.557 41.575 1.00 0.00 H new ATOM 0 HO2' A B 101 26.106 25.699 39.897 1.00 0.00 H new ATOM 0 HO5' A B 101 24.554 23.763 45.385 1.00 0.00 H new ATOM 0 H1' A B 101 24.073 27.828 41.120 1.00 0.00 H new ATOM 0 H8 A B 101 23.828 30.198 41.616 1.00 0.00 H new ATOM 0 H61 A B 101 26.313 31.732 47.180 1.00 0.00 H new ATOM 0 H62 A B 101 25.423 32.399 45.807 1.00 0.00 H new ATOM 0 H2 A B 101 27.080 27.530 46.512 1.00 0.00 H new ATOM 1419 P C B 102 28.591 24.706 41.860 1.00 0.00 P ATOM 1420 OP1 C B 102 29.148 23.563 41.094 1.00 0.00 O ATOM 1421 OP2 C B 102 28.890 24.789 43.312 1.00 0.00 O ATOM 1422 O5' C B 102 29.097 26.084 41.176 1.00 0.00 O ATOM 1423 C5' C B 102 30.391 26.169 40.587 1.00 0.00 C ATOM 1424 C4' C B 102 30.922 27.607 40.468 1.00 0.00 C ATOM 1425 O4' C B 102 30.168 28.365 39.527 1.00 0.00 O ATOM 1426 C3' C B 102 30.901 28.360 41.821 1.00 0.00 C ATOM 1427 O3' C B 102 32.150 28.970 42.131 1.00 0.00 O ATOM 1428 C2' C B 102 29.813 29.412 41.566 1.00 0.00 C ATOM 1429 O2' C B 102 29.929 30.604 42.348 1.00 0.00 O ATOM 1430 C1' C B 102 29.981 29.661 40.065 1.00 0.00 C ATOM 1431 N1 C B 102 28.788 30.324 39.469 1.00 0.00 N ATOM 1432 C2 C B 102 28.888 31.638 38.995 1.00 0.00 C ATOM 1433 O2 C B 102 29.978 32.198 38.881 1.00 0.00 O ATOM 1434 N3 C B 102 27.773 32.335 38.660 1.00 0.00 N ATOM 1435 C4 C B 102 26.606 31.731 38.753 1.00 0.00 C ATOM 1436 N4 C B 102 25.563 32.469 38.502 1.00 0.00 N ATOM 1437 C5 C B 102 26.446 30.381 39.160 1.00 0.00 C ATOM 1438 C6 C B 102 27.567 29.699 39.492 1.00 0.00 C ATOM 0 H5' C B 102 30.359 25.719 39.595 1.00 0.00 H new ATOM 0 H5'' C B 102 31.090 25.581 41.181 1.00 0.00 H new ATOM 0 H4' C B 102 31.954 27.510 40.131 1.00 0.00 H new ATOM 0 H3' C B 102 30.712 27.709 42.674 1.00 0.00 H new ATOM 0 H2' C B 102 28.821 29.070 41.861 1.00 0.00 H new ATOM 0 HO2' C B 102 30.663 31.153 42.001 1.00 0.00 H new ATOM 0 H1' C B 102 30.810 30.335 39.852 1.00 0.00 H new ATOM 0 H41 C B 102 24.628 32.065 38.555 1.00 0.00 H new ATOM 0 H42 C B 102 25.681 33.451 38.252 1.00 0.00 H new ATOM 0 H5 C B 102 25.471 29.918 39.203 1.00 0.00 H new ATOM 0 H6 C B 102 27.500 28.659 39.776 1.00 0.00 H new ATOM 1450 P A B 103 33.438 28.101 42.514 1.00 0.00 P ATOM 1451 OP1 A B 103 33.026 26.706 42.791 1.00 0.00 O ATOM 1452 OP2 A B 103 34.176 28.852 43.560 1.00 0.00 O ATOM 1453 O5' A B 103 34.292 28.104 41.151 1.00 0.00 O ATOM 1454 C5' A B 103 35.326 29.052 40.949 1.00 0.00 C ATOM 1455 C4' A B 103 35.818 29.059 39.493 1.00 0.00 C ATOM 1456 O4' A B 103 34.903 29.759 38.638 1.00 0.00 O ATOM 1457 C3' A B 103 37.156 29.812 39.368 1.00 0.00 C ATOM 1458 O3' A B 103 37.849 29.433 38.178 1.00 0.00 O ATOM 1459 C2' A B 103 36.638 31.252 39.277 1.00 0.00 C ATOM 1460 O2' A B 103 37.590 32.201 38.794 1.00 0.00 O ATOM 1461 C1' A B 103 35.476 31.029 38.311 1.00 0.00 C ATOM 1462 N9 A B 103 34.536 32.176 38.300 1.00 0.00 N ATOM 1463 C8 A B 103 34.382 33.101 37.295 1.00 0.00 C ATOM 1464 N7 A B 103 33.547 34.066 37.569 1.00 0.00 N ATOM 1465 C5 A B 103 33.078 33.733 38.850 1.00 0.00 C ATOM 1466 C6 A B 103 32.155 34.310 39.759 1.00 0.00 C ATOM 1467 N6 A B 103 31.470 35.420 39.547 1.00 0.00 N ATOM 1468 N1 A B 103 31.919 33.764 40.953 1.00 0.00 N ATOM 1469 C2 A B 103 32.553 32.635 41.243 1.00 0.00 C ATOM 1470 N3 A B 103 33.446 31.983 40.508 1.00 0.00 N ATOM 1471 C4 A B 103 33.669 32.580 39.302 1.00 0.00 C ATOM 0 H5' A B 103 36.160 28.827 41.613 1.00 0.00 H new ATOM 0 H5'' A B 103 34.965 30.045 41.216 1.00 0.00 H new ATOM 0 H4' A B 103 35.914 28.013 39.202 1.00 0.00 H new ATOM 0 H3' A B 103 37.870 29.629 40.171 1.00 0.00 H new ATOM 0 H2' A B 103 36.381 31.696 40.239 1.00 0.00 H new ATOM 0 HO2' A B 103 38.256 31.743 38.240 1.00 0.00 H new ATOM 0 H1' A B 103 35.808 30.990 37.274 1.00 0.00 H new ATOM 0 H8 A B 103 34.909 33.035 36.355 1.00 0.00 H new ATOM 0 H61 A B 103 30.825 35.765 40.258 1.00 0.00 H new ATOM 0 H62 A B 103 31.586 35.932 38.672 1.00 0.00 H new ATOM 0 H2 A B 103 32.312 32.190 42.197 1.00 0.00 H new ATOM 1483 P U B 104 38.565 28.011 38.038 1.00 0.00 P ATOM 1484 OP1 U B 104 37.539 27.076 37.524 1.00 0.00 O ATOM 1485 OP2 U B 104 39.252 27.695 39.315 1.00 0.00 O ATOM 1486 O5' U B 104 39.688 28.293 36.914 1.00 0.00 O ATOM 1487 C5' U B 104 39.894 27.436 35.795 1.00 0.00 C ATOM 1488 C4' U B 104 39.798 28.182 34.451 1.00 0.00 C ATOM 1489 O4' U B 104 38.590 28.924 34.312 1.00 0.00 O ATOM 1490 C3' U B 104 40.905 29.217 34.255 1.00 0.00 C ATOM 1491 O3' U B 104 42.147 28.626 33.901 1.00 0.00 O ATOM 1492 C2' U B 104 40.314 30.079 33.127 1.00 0.00 C ATOM 1493 O2' U B 104 40.655 29.602 31.829 1.00 0.00 O ATOM 1494 C1' U B 104 38.797 29.899 33.299 1.00 0.00 C ATOM 1495 N1 U B 104 38.068 31.184 33.539 1.00 0.00 N ATOM 1496 C2 U B 104 38.437 32.019 34.610 1.00 0.00 C ATOM 1497 O2 U B 104 39.309 31.753 35.433 1.00 0.00 O ATOM 1498 N3 U B 104 37.791 33.235 34.708 1.00 0.00 N ATOM 1499 C4 U B 104 36.844 33.718 33.839 1.00 0.00 C ATOM 1500 O4 U B 104 36.375 34.840 34.006 1.00 0.00 O ATOM 1501 C5 U B 104 36.493 32.803 32.776 1.00 0.00 C ATOM 1502 C6 U B 104 37.080 31.578 32.662 1.00 0.00 C ATOM 0 H5' U B 104 39.155 26.635 35.815 1.00 0.00 H new ATOM 0 H5'' U B 104 40.875 26.967 35.877 1.00 0.00 H new ATOM 0 H4' U B 104 39.867 27.376 33.721 1.00 0.00 H new ATOM 0 H3' U B 104 41.152 29.779 35.156 1.00 0.00 H new ATOM 0 H2' U B 104 40.681 31.103 33.194 1.00 0.00 H new ATOM 0 HO2' U B 104 41.350 28.915 31.905 1.00 0.00 H new ATOM 0 H1' U B 104 38.362 29.544 32.365 1.00 0.00 H new ATOM 0 H3 U B 104 38.040 33.829 35.499 1.00 0.00 H new ATOM 0 H5 U B 104 35.746 33.098 32.053 1.00 0.00 H new ATOM 0 H6 U B 104 36.767 30.908 31.875 1.00 0.00 H new ATOM 1513 P C B 105 43.514 29.453 34.033 1.00 0.00 P ATOM 1514 OP1 C B 105 43.294 30.830 33.534 1.00 0.00 O ATOM 1515 OP2 C B 105 44.590 28.637 33.424 1.00 0.00 O ATOM 1516 O5' C B 105 43.733 29.526 35.626 1.00 0.00 O ATOM 1517 C5' C B 105 44.019 28.361 36.396 1.00 0.00 C ATOM 1518 C4' C B 105 45.347 28.500 37.161 1.00 0.00 C ATOM 1519 O4' C B 105 46.415 28.777 36.258 1.00 0.00 O ATOM 1520 C3' C B 105 45.329 29.631 38.194 1.00 0.00 C ATOM 1521 O3' C B 105 44.779 29.233 39.442 1.00 0.00 O ATOM 1522 C2' C B 105 46.825 29.986 38.281 1.00 0.00 C ATOM 1523 O2' C B 105 47.550 29.156 39.190 1.00 0.00 O ATOM 1524 C1' C B 105 47.335 29.675 36.863 1.00 0.00 C ATOM 1525 N1 C B 105 47.497 30.896 36.014 1.00 0.00 N ATOM 1526 C2 C B 105 48.769 31.204 35.502 1.00 0.00 C ATOM 1527 O2 C B 105 49.737 30.457 35.674 1.00 0.00 O ATOM 1528 N3 C B 105 48.977 32.351 34.807 1.00 0.00 N ATOM 1529 C4 C B 105 47.958 33.156 34.597 1.00 0.00 C ATOM 1530 N4 C B 105 48.221 34.246 33.930 1.00 0.00 N ATOM 1531 C5 C B 105 46.639 32.885 35.047 1.00 0.00 C ATOM 1532 C6 C B 105 46.442 31.737 35.741 1.00 0.00 C ATOM 0 H5' C B 105 44.066 27.492 35.739 1.00 0.00 H new ATOM 0 H5'' C B 105 43.208 28.183 37.102 1.00 0.00 H new ATOM 0 H4' C B 105 45.489 27.550 37.676 1.00 0.00 H new ATOM 0 H3' C B 105 44.693 30.472 37.916 1.00 0.00 H new ATOM 0 H2' C B 105 46.959 31.011 38.627 1.00 0.00 H new ATOM 0 HO2' C B 105 46.921 28.678 39.770 1.00 0.00 H new ATOM 0 H1' C B 105 48.329 29.234 36.945 1.00 0.00 H new ATOM 0 H41 C B 105 47.477 34.915 33.732 1.00 0.00 H new ATOM 0 H42 C B 105 49.171 34.429 33.607 1.00 0.00 H new ATOM 0 H5 C B 105 45.825 33.566 34.845 1.00 0.00 H new ATOM 0 H6 C B 105 45.450 31.480 36.082 1.00 0.00 H new ATOM 1544 P A B 106 44.088 30.304 40.409 1.00 0.00 P ATOM 1545 OP1 A B 106 43.913 29.658 41.733 1.00 0.00 O ATOM 1546 OP2 A B 106 42.897 30.852 39.719 1.00 0.00 O ATOM 1547 O5' A B 106 45.146 31.508 40.566 1.00 0.00 O ATOM 1548 C5' A B 106 45.068 32.393 41.676 1.00 0.00 C ATOM 1549 C4' A B 106 45.806 33.719 41.434 1.00 0.00 C ATOM 1550 O4' A B 106 47.209 33.513 41.272 1.00 0.00 O ATOM 1551 C3' A B 106 45.297 34.455 40.178 1.00 0.00 C ATOM 1552 O3' A B 106 45.030 35.822 40.492 1.00 0.00 O ATOM 1553 C2' A B 106 46.493 34.338 39.219 1.00 0.00 C ATOM 1554 O2' A B 106 46.550 35.393 38.257 1.00 0.00 O ATOM 1555 C1' A B 106 47.647 34.364 40.224 1.00 0.00 C ATOM 1556 N9 A B 106 48.958 33.918 39.697 1.00 0.00 N ATOM 1557 C8 A B 106 49.247 33.175 38.576 1.00 0.00 C ATOM 1558 N7 A B 106 50.524 32.963 38.378 1.00 0.00 N ATOM 1559 C5 A B 106 51.126 33.643 39.451 1.00 0.00 C ATOM 1560 C6 A B 106 52.462 33.862 39.879 1.00 0.00 C ATOM 1561 N6 A B 106 53.544 33.400 39.280 1.00 0.00 N ATOM 1562 N1 A B 106 52.732 34.592 40.964 1.00 0.00 N ATOM 1563 C2 A B 106 51.710 35.108 41.634 1.00 0.00 C ATOM 1564 N3 A B 106 50.410 34.992 41.362 1.00 0.00 N ATOM 1565 C4 A B 106 50.181 34.236 40.248 1.00 0.00 C ATOM 0 H5' A B 106 45.488 31.904 42.555 1.00 0.00 H new ATOM 0 H5'' A B 106 44.021 32.600 41.897 1.00 0.00 H new ATOM 0 H4' A B 106 45.608 34.326 42.317 1.00 0.00 H new ATOM 0 H3' A B 106 44.373 34.050 39.766 1.00 0.00 H new ATOM 0 H2' A B 106 46.476 33.458 38.576 1.00 0.00 H new ATOM 0 HO2' A B 106 47.404 35.353 37.778 1.00 0.00 H new ATOM 0 HO3' A B 106 45.316 36.391 39.747 1.00 0.00 H new ATOM 0 H1' A B 106 47.846 35.391 40.531 1.00 0.00 H new ATOM 0 H8 A B 106 48.483 32.797 37.913 1.00 0.00 H new ATOM 0 H61 A B 106 54.467 33.609 39.661 1.00 0.00 H new ATOM 0 H62 A B 106 53.457 32.834 38.436 1.00 0.00 H new ATOM 0 H2 A B 106 51.962 35.693 42.506 1.00 0.00 H new TER 1578 A B 106