USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ -146:sc= 1.38 (180deg=1.13) USER MOD Set 1.2: B 104 U O2' : rot 60:sc= 0.609 USER MOD Set 2.1: A 31 TYR OH : rot 130:sc= 0.272 USER MOD Set 2.2: A 66 LYS NZ :NH3+ -137:sc= 1.44 (180deg=0.993) USER MOD Single : A 0 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 34:sc= 0.154 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 165:sc= -0.0414 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.927 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.19) USER MOD Single : A 33 ASN : amide:sc= 1.8 K(o=1.8,f=-3.1!) USER MOD Single : A 37 CYS SG : rot 26:sc= -0.034 USER MOD Single : A 40 LYS NZ :NH3+ -143:sc= 1.55 (180deg=-2.09!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 44 SER OG : rot -34:sc= 0.0218 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 30:sc= 0.056 USER MOD Single : A 74 ASN : amide:sc= 1 K(o=1,f=-0.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0367 K(o=-0.037,f=-0.65) USER MOD Single : B 101 A O2' : rot -4:sc= 0.153 USER MOD Single : B 101 A O5' : rot 180:sc= -0.0519 USER MOD Single : B 102 C O2' : rot 135:sc= 0.14 USER MOD Single : B 103 A O2' : rot 29:sc= 0.00617 USER MOD Single : B 105 C O2' : rot 21:sc= 0.108 USER MOD Single : B 106 A O2' : rot -21:sc= 0.0817 USER MOD Single : B 106 A O3' : rot -82:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 29.772 38.630 45.199 1.00 0.00 N ATOM 2 CA GLY A -2 30.230 40.031 45.336 1.00 0.00 C ATOM 3 C GLY A -2 31.745 40.100 45.436 1.00 0.00 C ATOM 4 O GLY A -2 32.330 39.475 46.320 1.00 0.00 O ATOM 0 H1 GLY A -2 28.734 38.609 45.133 1.00 0.00 H new ATOM 0 H2 GLY A -2 30.183 38.213 44.339 1.00 0.00 H new ATOM 0 H3 GLY A -2 30.077 38.082 46.029 1.00 0.00 H new ATOM 0 HA2 GLY A -2 29.891 40.614 44.479 1.00 0.00 H new ATOM 0 HA3 GLY A -2 29.782 40.479 46.223 1.00 0.00 H new ATOM 10 N SER A -1 32.397 40.845 44.533 1.00 0.00 N ATOM 11 CA SER A -1 33.867 40.896 44.410 1.00 0.00 C ATOM 12 C SER A -1 34.573 41.535 45.617 1.00 0.00 C ATOM 13 O SER A -1 35.617 41.039 46.046 1.00 0.00 O ATOM 14 CB SER A -1 34.259 41.672 43.146 1.00 0.00 C ATOM 15 OG SER A -1 33.622 41.122 42.003 1.00 0.00 O ATOM 0 H SER A -1 31.916 41.438 43.857 1.00 0.00 H new ATOM 0 HA SER A -1 34.196 39.858 44.358 1.00 0.00 H new ATOM 0 HB2 SER A -1 33.980 42.720 43.255 1.00 0.00 H new ATOM 0 HB3 SER A -1 35.341 41.642 43.016 1.00 0.00 H new ATOM 0 HG SER A -1 33.882 41.631 41.207 1.00 0.00 H new ATOM 21 N HIS A 0 34.002 42.613 46.175 1.00 0.00 N ATOM 22 CA HIS A 0 34.506 43.349 47.352 1.00 0.00 C ATOM 23 C HIS A 0 35.987 43.782 47.237 1.00 0.00 C ATOM 24 O HIS A 0 36.800 43.559 48.138 1.00 0.00 O ATOM 25 CB HIS A 0 34.158 42.570 48.636 1.00 0.00 C ATOM 26 CG HIS A 0 34.317 43.384 49.901 1.00 0.00 C ATOM 27 ND1 HIS A 0 33.573 44.524 50.229 1.00 0.00 N ATOM 28 CD2 HIS A 0 35.183 43.119 50.921 1.00 0.00 C ATOM 29 CE1 HIS A 0 34.020 44.921 51.434 1.00 0.00 C ATOM 30 NE2 HIS A 0 34.985 44.097 51.871 1.00 0.00 N ATOM 0 H HIS A 0 33.140 43.015 45.806 1.00 0.00 H new ATOM 0 HA HIS A 0 33.989 44.307 47.403 1.00 0.00 H new ATOM 0 HB2 HIS A 0 33.129 42.216 48.569 1.00 0.00 H new ATOM 0 HB3 HIS A 0 34.795 41.688 48.699 1.00 0.00 H new ATOM 0 HD2 HIS A 0 35.887 42.302 50.974 1.00 0.00 H new ATOM 0 HE1 HIS A 0 33.654 45.782 51.974 1.00 0.00 H new ATOM 0 HE2 HIS A 0 35.486 44.181 52.755 1.00 0.00 H new ATOM 38 N MET A 1 36.348 44.383 46.097 1.00 0.00 N ATOM 39 CA MET A 1 37.704 44.861 45.768 1.00 0.00 C ATOM 40 C MET A 1 37.779 46.391 45.626 1.00 0.00 C ATOM 41 O MET A 1 36.771 47.065 45.396 1.00 0.00 O ATOM 42 CB MET A 1 38.221 44.153 44.504 1.00 0.00 C ATOM 43 CG MET A 1 38.575 42.692 44.793 1.00 0.00 C ATOM 44 SD MET A 1 39.156 41.764 43.350 1.00 0.00 S ATOM 45 CE MET A 1 39.666 40.237 44.185 1.00 0.00 C ATOM 0 H MET A 1 35.680 44.558 45.346 1.00 0.00 H new ATOM 0 HA MET A 1 38.352 44.606 46.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 37.462 44.198 43.723 1.00 0.00 H new ATOM 0 HB3 MET A 1 39.100 44.675 44.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 39.346 42.663 45.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 37.697 42.192 45.202 1.00 0.00 H new ATOM 0 HE1 MET A 1 40.057 39.533 43.450 1.00 0.00 H new ATOM 0 HE2 MET A 1 40.441 40.464 44.917 1.00 0.00 H new ATOM 0 HE3 MET A 1 38.808 39.794 44.690 1.00 0.00 H new ATOM 55 N VAL A 2 38.997 46.935 45.752 1.00 0.00 N ATOM 56 CA VAL A 2 39.322 48.374 45.718 1.00 0.00 C ATOM 57 C VAL A 2 40.430 48.637 44.689 1.00 0.00 C ATOM 58 O VAL A 2 41.403 47.885 44.619 1.00 0.00 O ATOM 59 CB VAL A 2 39.703 48.870 47.134 1.00 0.00 C ATOM 60 CG1 VAL A 2 40.235 50.306 47.156 1.00 0.00 C ATOM 61 CG2 VAL A 2 38.495 48.809 48.081 1.00 0.00 C ATOM 0 H VAL A 2 39.827 46.357 45.887 1.00 0.00 H new ATOM 0 HA VAL A 2 38.445 48.941 45.405 1.00 0.00 H new ATOM 0 HB VAL A 2 40.498 48.200 47.463 1.00 0.00 H new ATOM 0 HG11 VAL A 2 40.482 50.587 48.180 1.00 0.00 H new ATOM 0 HG12 VAL A 2 41.129 50.372 46.536 1.00 0.00 H new ATOM 0 HG13 VAL A 2 39.473 50.982 46.768 1.00 0.00 H new ATOM 0 HG21 VAL A 2 38.789 49.163 49.069 1.00 0.00 H new ATOM 0 HG22 VAL A 2 37.696 49.440 47.693 1.00 0.00 H new ATOM 0 HG23 VAL A 2 38.142 47.780 48.154 1.00 0.00 H new ATOM 71 N ILE A 3 40.276 49.697 43.882 1.00 0.00 N ATOM 72 CA ILE A 3 41.166 50.070 42.758 1.00 0.00 C ATOM 73 C ILE A 3 41.308 48.898 41.755 1.00 0.00 C ATOM 74 O ILE A 3 42.401 48.435 41.415 1.00 0.00 O ATOM 75 CB ILE A 3 42.487 50.737 43.250 1.00 0.00 C ATOM 76 CG1 ILE A 3 42.206 51.947 44.184 1.00 0.00 C ATOM 77 CG2 ILE A 3 43.352 51.263 42.084 1.00 0.00 C ATOM 78 CD1 ILE A 3 43.379 52.289 45.114 1.00 0.00 C ATOM 0 H ILE A 3 39.499 50.348 43.994 1.00 0.00 H new ATOM 0 HA ILE A 3 40.703 50.865 42.174 1.00 0.00 H new ATOM 0 HB ILE A 3 43.019 49.950 43.784 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.970 52.819 43.574 1.00 0.00 H new ATOM 0 HG13 ILE A 3 41.324 51.732 44.788 1.00 0.00 H new ATOM 0 HG21 ILE A 3 44.260 51.718 42.481 1.00 0.00 H new ATOM 0 HG22 ILE A 3 43.618 50.436 41.426 1.00 0.00 H new ATOM 0 HG23 ILE A 3 42.789 52.008 41.521 1.00 0.00 H new ATOM 0 HD11 ILE A 3 43.113 53.143 45.737 1.00 0.00 H new ATOM 0 HD12 ILE A 3 43.601 51.432 45.749 1.00 0.00 H new ATOM 0 HD13 ILE A 3 44.257 52.535 44.517 1.00 0.00 H new ATOM 90 N ARG A 4 40.154 48.381 41.299 1.00 0.00 N ATOM 91 CA ARG A 4 40.014 47.374 40.230 1.00 0.00 C ATOM 92 C ARG A 4 38.651 47.509 39.539 1.00 0.00 C ATOM 93 O ARG A 4 37.631 47.703 40.204 1.00 0.00 O ATOM 94 CB ARG A 4 40.227 45.960 40.809 1.00 0.00 C ATOM 95 CG ARG A 4 40.254 44.878 39.715 1.00 0.00 C ATOM 96 CD ARG A 4 40.595 43.487 40.261 1.00 0.00 C ATOM 97 NE ARG A 4 42.004 43.386 40.695 1.00 0.00 N ATOM 98 CZ ARG A 4 42.624 42.292 41.104 1.00 0.00 C ATOM 99 NH1 ARG A 4 42.015 41.146 41.209 1.00 0.00 N ATOM 100 NH2 ARG A 4 43.889 42.331 41.415 1.00 0.00 N ATOM 0 H ARG A 4 39.252 48.666 41.682 1.00 0.00 H new ATOM 0 HA ARG A 4 40.779 47.544 39.472 1.00 0.00 H new ATOM 0 HB2 ARG A 4 41.164 45.935 41.365 1.00 0.00 H new ATOM 0 HB3 ARG A 4 39.430 45.736 41.518 1.00 0.00 H new ATOM 0 HG2 ARG A 4 39.282 44.842 39.223 1.00 0.00 H new ATOM 0 HG3 ARG A 4 40.986 45.154 38.956 1.00 0.00 H new ATOM 0 HD2 ARG A 4 39.941 43.259 41.102 1.00 0.00 H new ATOM 0 HD3 ARG A 4 40.399 42.739 39.493 1.00 0.00 H new ATOM 0 HE ARG A 4 42.553 44.246 40.677 1.00 0.00 H new ATOM 0 HH11 ARG A 4 41.026 41.071 40.972 1.00 0.00 H new ATOM 0 HH12 ARG A 4 42.527 40.324 41.528 1.00 0.00 H new ATOM 0 HH21 ARG A 4 44.405 43.208 41.343 1.00 0.00 H new ATOM 0 HH22 ARG A 4 44.363 41.485 41.730 1.00 0.00 H new ATOM 114 N GLU A 5 38.625 47.404 38.215 1.00 0.00 N ATOM 115 CA GLU A 5 37.401 47.447 37.400 1.00 0.00 C ATOM 116 C GLU A 5 36.605 46.128 37.483 1.00 0.00 C ATOM 117 O GLU A 5 37.180 45.040 37.385 1.00 0.00 O ATOM 118 CB GLU A 5 37.779 47.798 35.951 1.00 0.00 C ATOM 119 CG GLU A 5 36.565 47.943 35.022 1.00 0.00 C ATOM 120 CD GLU A 5 36.944 48.559 33.660 1.00 0.00 C ATOM 121 OE1 GLU A 5 37.981 48.182 33.066 1.00 0.00 O ATOM 122 OE2 GLU A 5 36.192 49.434 33.160 1.00 0.00 O ATOM 0 H GLU A 5 39.471 47.283 37.658 1.00 0.00 H new ATOM 0 HA GLU A 5 36.740 48.219 37.793 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.344 48.730 35.946 1.00 0.00 H new ATOM 0 HB3 GLU A 5 38.438 47.024 35.558 1.00 0.00 H new ATOM 0 HG2 GLU A 5 36.113 46.964 34.863 1.00 0.00 H new ATOM 0 HG3 GLU A 5 35.813 48.567 35.505 1.00 0.00 H new ATOM 129 N SER A 6 35.279 46.212 37.643 1.00 0.00 N ATOM 130 CA SER A 6 34.383 45.043 37.700 1.00 0.00 C ATOM 131 C SER A 6 34.271 44.337 36.341 1.00 0.00 C ATOM 132 O SER A 6 33.945 44.966 35.329 1.00 0.00 O ATOM 133 CB SER A 6 32.985 45.456 38.179 1.00 0.00 C ATOM 134 OG SER A 6 33.056 46.083 39.451 1.00 0.00 O ATOM 0 H SER A 6 34.789 47.102 37.738 1.00 0.00 H new ATOM 0 HA SER A 6 34.820 44.342 38.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.534 46.137 37.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.341 44.579 38.236 1.00 0.00 H new ATOM 0 HG SER A 6 32.156 46.341 39.739 1.00 0.00 H new ATOM 140 N VAL A 7 34.519 43.023 36.311 1.00 0.00 N ATOM 141 CA VAL A 7 34.523 42.199 35.086 1.00 0.00 C ATOM 142 C VAL A 7 33.163 41.523 34.871 1.00 0.00 C ATOM 143 O VAL A 7 32.745 40.696 35.684 1.00 0.00 O ATOM 144 CB VAL A 7 35.661 41.157 35.140 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.682 40.265 33.896 1.00 0.00 C ATOM 146 CG2 VAL A 7 37.035 41.837 35.244 1.00 0.00 C ATOM 0 H VAL A 7 34.728 42.486 37.153 1.00 0.00 H new ATOM 0 HA VAL A 7 34.702 42.855 34.234 1.00 0.00 H new ATOM 0 HB VAL A 7 35.467 40.550 36.025 1.00 0.00 H new ATOM 0 HG11 VAL A 7 36.498 39.547 33.977 1.00 0.00 H new ATOM 0 HG12 VAL A 7 34.735 39.731 33.815 1.00 0.00 H new ATOM 0 HG13 VAL A 7 35.827 40.881 33.009 1.00 0.00 H new ATOM 0 HG21 VAL A 7 37.815 41.077 35.280 1.00 0.00 H new ATOM 0 HG22 VAL A 7 37.191 42.476 34.375 1.00 0.00 H new ATOM 0 HG23 VAL A 7 37.074 42.441 36.151 1.00 0.00 H new ATOM 156 N SER A 8 32.480 41.831 33.767 1.00 0.00 N ATOM 157 CA SER A 8 31.256 41.126 33.352 1.00 0.00 C ATOM 158 C SER A 8 31.576 39.794 32.660 1.00 0.00 C ATOM 159 O SER A 8 32.514 39.714 31.858 1.00 0.00 O ATOM 160 CB SER A 8 30.411 42.022 32.444 1.00 0.00 C ATOM 161 OG SER A 8 29.228 41.344 32.068 1.00 0.00 O ATOM 0 H SER A 8 32.757 42.578 33.130 1.00 0.00 H new ATOM 0 HA SER A 8 30.682 40.895 34.249 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.161 42.948 32.962 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.981 42.297 31.557 1.00 0.00 H new ATOM 0 HG SER A 8 28.935 40.766 32.803 1.00 0.00 H new ATOM 167 N ARG A 9 30.803 38.737 32.952 1.00 0.00 N ATOM 168 CA ARG A 9 30.910 37.420 32.298 1.00 0.00 C ATOM 169 C ARG A 9 29.609 36.610 32.343 1.00 0.00 C ATOM 170 O ARG A 9 28.904 36.637 33.348 1.00 0.00 O ATOM 171 CB ARG A 9 32.100 36.603 32.849 1.00 0.00 C ATOM 172 CG ARG A 9 32.089 36.227 34.346 1.00 0.00 C ATOM 173 CD ARG A 9 32.441 37.387 35.290 1.00 0.00 C ATOM 174 NE ARG A 9 32.846 36.871 36.607 1.00 0.00 N ATOM 175 CZ ARG A 9 33.350 37.541 37.627 1.00 0.00 C ATOM 176 NH1 ARG A 9 33.434 38.837 37.657 1.00 0.00 N ATOM 177 NH2 ARG A 9 33.793 36.887 38.661 1.00 0.00 N ATOM 0 H ARG A 9 30.072 38.772 33.662 1.00 0.00 H new ATOM 0 HA ARG A 9 31.102 37.628 31.245 1.00 0.00 H new ATOM 0 HB2 ARG A 9 32.166 35.680 32.273 1.00 0.00 H new ATOM 0 HB3 ARG A 9 33.012 37.167 32.653 1.00 0.00 H new ATOM 0 HG2 ARG A 9 31.101 35.849 34.607 1.00 0.00 H new ATOM 0 HG3 ARG A 9 32.795 35.413 34.510 1.00 0.00 H new ATOM 0 HD2 ARG A 9 33.248 37.981 34.861 1.00 0.00 H new ATOM 0 HD3 ARG A 9 31.582 38.049 35.400 1.00 0.00 H new ATOM 0 HE ARG A 9 32.722 35.869 36.750 1.00 0.00 H new ATOM 0 HH11 ARG A 9 33.101 39.388 36.866 1.00 0.00 H new ATOM 0 HH12 ARG A 9 33.833 39.303 38.472 1.00 0.00 H new ATOM 0 HH21 ARG A 9 33.749 35.868 38.677 1.00 0.00 H new ATOM 0 HH22 ARG A 9 34.185 37.393 39.455 1.00 0.00 H new ATOM 191 N ILE A 10 29.310 35.878 31.269 1.00 0.00 N ATOM 192 CA ILE A 10 28.224 34.885 31.199 1.00 0.00 C ATOM 193 C ILE A 10 28.672 33.582 31.887 1.00 0.00 C ATOM 194 O ILE A 10 29.850 33.228 31.827 1.00 0.00 O ATOM 195 CB ILE A 10 27.784 34.624 29.728 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.067 35.836 29.086 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.836 33.416 29.597 1.00 0.00 C ATOM 198 CD1 ILE A 10 28.014 36.898 28.516 1.00 0.00 C ATOM 0 H ILE A 10 29.829 35.958 30.395 1.00 0.00 H new ATOM 0 HA ILE A 10 27.355 35.281 31.724 1.00 0.00 H new ATOM 0 HB ILE A 10 28.720 34.428 29.205 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.418 35.478 28.287 1.00 0.00 H new ATOM 0 HG13 ILE A 10 26.425 36.302 29.834 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.562 33.281 28.551 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.338 32.519 29.960 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.937 33.593 30.188 1.00 0.00 H new ATOM 0 HD11 ILE A 10 27.431 37.712 28.085 1.00 0.00 H new ATOM 0 HD12 ILE A 10 28.646 37.287 29.314 1.00 0.00 H new ATOM 0 HD13 ILE A 10 28.639 36.451 27.743 1.00 0.00 H new ATOM 210 N TYR A 11 27.719 32.854 32.477 1.00 0.00 N ATOM 211 CA TYR A 11 27.868 31.482 32.967 1.00 0.00 C ATOM 212 C TYR A 11 26.848 30.532 32.298 1.00 0.00 C ATOM 213 O TYR A 11 25.695 30.898 32.069 1.00 0.00 O ATOM 214 CB TYR A 11 27.750 31.488 34.502 1.00 0.00 C ATOM 215 CG TYR A 11 27.318 30.175 35.124 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.242 29.126 35.294 1.00 0.00 C ATOM 217 CD2 TYR A 11 25.980 30.001 35.524 1.00 0.00 C ATOM 218 CE1 TYR A 11 27.831 27.918 35.895 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.564 28.799 36.124 1.00 0.00 C ATOM 220 CZ TYR A 11 26.497 27.761 36.331 1.00 0.00 C ATOM 221 OH TYR A 11 26.103 26.635 36.984 1.00 0.00 O ATOM 0 H TYR A 11 26.781 33.223 32.633 1.00 0.00 H new ATOM 0 HA TYR A 11 28.852 31.099 32.697 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.715 31.770 34.923 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.038 32.260 34.792 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.264 29.246 34.965 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.267 30.797 35.369 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.538 27.111 36.022 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.535 28.671 36.425 1.00 0.00 H new ATOM 0 HH TYR A 11 25.237 26.793 37.415 1.00 0.00 H new ATOM 231 N VAL A 12 27.271 29.298 32.008 1.00 0.00 N ATOM 232 CA VAL A 12 26.400 28.178 31.598 1.00 0.00 C ATOM 233 C VAL A 12 26.830 26.923 32.352 1.00 0.00 C ATOM 234 O VAL A 12 28.012 26.571 32.329 1.00 0.00 O ATOM 235 CB VAL A 12 26.434 27.928 30.072 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.467 26.813 29.656 1.00 0.00 C ATOM 237 CG2 VAL A 12 26.095 29.180 29.251 1.00 0.00 C ATOM 0 H VAL A 12 28.256 29.037 32.051 1.00 0.00 H new ATOM 0 HA VAL A 12 25.371 28.438 31.845 1.00 0.00 H new ATOM 0 HB VAL A 12 27.462 27.634 29.860 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.521 26.668 28.577 1.00 0.00 H new ATOM 0 HG12 VAL A 12 25.741 25.887 30.160 1.00 0.00 H new ATOM 0 HG13 VAL A 12 24.450 27.090 29.934 1.00 0.00 H new ATOM 0 HG21 VAL A 12 26.136 28.940 28.188 1.00 0.00 H new ATOM 0 HG22 VAL A 12 25.093 29.523 29.508 1.00 0.00 H new ATOM 0 HG23 VAL A 12 26.816 29.967 29.473 1.00 0.00 H new ATOM 247 N GLY A 13 25.892 26.243 33.017 1.00 0.00 N ATOM 248 CA GLY A 13 26.151 25.094 33.888 1.00 0.00 C ATOM 249 C GLY A 13 25.543 23.782 33.398 1.00 0.00 C ATOM 250 O GLY A 13 24.568 23.768 32.643 1.00 0.00 O ATOM 0 H GLY A 13 24.902 26.484 32.962 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.229 24.966 33.989 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.761 25.312 34.882 1.00 0.00 H new ATOM 254 N ASN A 14 26.133 22.667 33.839 1.00 0.00 N ATOM 255 CA ASN A 14 25.785 21.307 33.398 1.00 0.00 C ATOM 256 C ASN A 14 25.806 21.188 31.855 1.00 0.00 C ATOM 257 O ASN A 14 24.910 20.613 31.237 1.00 0.00 O ATOM 258 CB ASN A 14 24.475 20.843 34.071 1.00 0.00 C ATOM 259 CG ASN A 14 24.437 21.087 35.570 1.00 0.00 C ATOM 260 OD1 ASN A 14 23.902 22.073 36.058 1.00 0.00 O ATOM 261 ND2 ASN A 14 25.008 20.198 36.355 1.00 0.00 N ATOM 0 H ASN A 14 26.884 22.682 34.529 1.00 0.00 H new ATOM 0 HA ASN A 14 26.551 20.607 33.733 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.636 21.360 33.607 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.337 19.778 33.882 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.003 20.333 37.366 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.455 19.374 35.952 1.00 0.00 H new ATOM 268 N LEU A 15 26.821 21.812 31.249 1.00 0.00 N ATOM 269 CA LEU A 15 26.940 22.119 29.822 1.00 0.00 C ATOM 270 C LEU A 15 26.879 20.856 28.929 1.00 0.00 C ATOM 271 O LEU A 15 27.736 19.981 29.079 1.00 0.00 O ATOM 272 CB LEU A 15 28.277 22.876 29.661 1.00 0.00 C ATOM 273 CG LEU A 15 28.671 23.258 28.225 1.00 0.00 C ATOM 274 CD1 LEU A 15 27.839 24.423 27.696 1.00 0.00 C ATOM 275 CD2 LEU A 15 30.148 23.652 28.200 1.00 0.00 C ATOM 0 H LEU A 15 27.632 22.136 31.776 1.00 0.00 H new ATOM 0 HA LEU A 15 26.097 22.725 29.490 1.00 0.00 H new ATOM 0 HB2 LEU A 15 28.229 23.787 30.257 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.072 22.261 30.082 1.00 0.00 H new ATOM 0 HG LEU A 15 28.487 22.394 27.586 1.00 0.00 H new ATOM 0 HD11 LEU A 15 28.150 24.660 26.679 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.784 24.147 27.698 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.987 25.295 28.333 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.435 23.924 27.184 1.00 0.00 H new ATOM 0 HD22 LEU A 15 30.309 24.502 28.863 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.755 22.811 28.535 1.00 0.00 H new ATOM 287 N PRO A 16 25.932 20.750 27.972 1.00 0.00 N ATOM 288 CA PRO A 16 25.953 19.727 26.925 1.00 0.00 C ATOM 289 C PRO A 16 26.958 20.068 25.808 1.00 0.00 C ATOM 290 O PRO A 16 27.380 21.216 25.661 1.00 0.00 O ATOM 291 CB PRO A 16 24.516 19.680 26.396 1.00 0.00 C ATOM 292 CG PRO A 16 24.058 21.130 26.536 1.00 0.00 C ATOM 293 CD PRO A 16 24.748 21.592 27.820 1.00 0.00 C ATOM 0 HA PRO A 16 26.279 18.761 27.311 1.00 0.00 H new ATOM 0 HB2 PRO A 16 24.477 19.341 25.361 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.893 19.001 26.977 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.359 21.732 25.678 1.00 0.00 H new ATOM 0 HG3 PRO A 16 22.973 21.204 26.613 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.024 22.644 27.756 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.084 21.488 28.678 1.00 0.00 H new ATOM 301 N SER A 17 27.318 19.080 24.979 1.00 0.00 N ATOM 302 CA SER A 17 28.186 19.182 23.782 1.00 0.00 C ATOM 303 C SER A 17 29.665 19.578 24.013 1.00 0.00 C ATOM 304 O SER A 17 30.533 19.190 23.228 1.00 0.00 O ATOM 305 CB SER A 17 27.505 20.078 22.732 1.00 0.00 C ATOM 306 OG SER A 17 28.145 19.997 21.470 1.00 0.00 O ATOM 0 H SER A 17 26.994 18.124 25.129 1.00 0.00 H new ATOM 0 HA SER A 17 28.283 18.160 23.417 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.460 19.785 22.628 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.513 21.112 23.077 1.00 0.00 H new ATOM 0 HG SER A 17 27.683 20.578 20.831 1.00 0.00 H new ATOM 312 N HIS A 18 29.983 20.276 25.113 1.00 0.00 N ATOM 313 CA HIS A 18 31.344 20.675 25.535 1.00 0.00 C ATOM 314 C HIS A 18 32.083 21.503 24.468 1.00 0.00 C ATOM 315 O HIS A 18 33.181 21.153 24.025 1.00 0.00 O ATOM 316 CB HIS A 18 32.143 19.453 26.038 1.00 0.00 C ATOM 317 CG HIS A 18 31.486 18.639 27.129 1.00 0.00 C ATOM 318 ND1 HIS A 18 31.808 17.315 27.450 1.00 0.00 N ATOM 319 CD2 HIS A 18 30.529 19.074 28.000 1.00 0.00 C ATOM 320 CE1 HIS A 18 31.016 16.979 28.485 1.00 0.00 C ATOM 321 NE2 HIS A 18 30.236 18.016 28.830 1.00 0.00 N ATOM 0 H HIS A 18 29.268 20.595 25.767 1.00 0.00 H new ATOM 0 HA HIS A 18 31.243 21.354 26.382 1.00 0.00 H new ATOM 0 HB2 HIS A 18 32.339 18.797 25.190 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.110 19.800 26.402 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.087 20.059 28.032 1.00 0.00 H new ATOM 0 HE1 HIS A 18 31.009 16.013 28.969 1.00 0.00 H new ATOM 0 HE2 HIS A 18 29.544 18.019 29.580 1.00 0.00 H new ATOM 329 N VAL A 19 31.459 22.609 24.046 1.00 0.00 N ATOM 330 CA VAL A 19 31.979 23.541 23.028 1.00 0.00 C ATOM 331 C VAL A 19 33.403 24.032 23.333 1.00 0.00 C ATOM 332 O VAL A 19 33.701 24.480 24.444 1.00 0.00 O ATOM 333 CB VAL A 19 31.034 24.746 22.821 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.789 24.321 22.032 1.00 0.00 C ATOM 335 CG2 VAL A 19 30.576 25.435 24.117 1.00 0.00 C ATOM 0 H VAL A 19 30.550 22.892 24.412 1.00 0.00 H new ATOM 0 HA VAL A 19 32.025 22.968 22.102 1.00 0.00 H new ATOM 0 HB VAL A 19 31.629 25.473 22.268 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.134 25.181 21.895 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.090 23.935 21.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.257 23.544 22.582 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.917 26.268 23.873 1.00 0.00 H new ATOM 0 HG22 VAL A 19 30.040 24.719 24.740 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.446 25.807 24.658 1.00 0.00 H new ATOM 345 N SER A 20 34.288 23.963 22.338 1.00 0.00 N ATOM 346 CA SER A 20 35.665 24.480 22.409 1.00 0.00 C ATOM 347 C SER A 20 35.707 26.014 22.366 1.00 0.00 C ATOM 348 O SER A 20 34.725 26.653 21.985 1.00 0.00 O ATOM 349 CB SER A 20 36.495 23.902 21.254 1.00 0.00 C ATOM 350 OG SER A 20 36.552 22.486 21.336 1.00 0.00 O ATOM 0 H SER A 20 34.067 23.537 21.438 1.00 0.00 H new ATOM 0 HA SER A 20 36.088 24.167 23.364 1.00 0.00 H new ATOM 0 HB2 SER A 20 36.057 24.199 20.301 1.00 0.00 H new ATOM 0 HB3 SER A 20 37.504 24.314 21.283 1.00 0.00 H new ATOM 0 HG SER A 20 37.084 22.136 20.591 1.00 0.00 H new ATOM 356 N SER A 21 36.855 26.628 22.690 1.00 0.00 N ATOM 357 CA SER A 21 37.029 28.094 22.645 1.00 0.00 C ATOM 358 C SER A 21 36.687 28.698 21.271 1.00 0.00 C ATOM 359 O SER A 21 36.040 29.741 21.188 1.00 0.00 O ATOM 360 CB SER A 21 38.450 28.489 23.060 1.00 0.00 C ATOM 361 OG SER A 21 39.423 27.950 22.179 1.00 0.00 O ATOM 0 H SER A 21 37.690 26.126 22.991 1.00 0.00 H new ATOM 0 HA SER A 21 36.318 28.508 23.360 1.00 0.00 H new ATOM 0 HB2 SER A 21 38.536 29.576 23.076 1.00 0.00 H new ATOM 0 HB3 SER A 21 38.644 28.139 24.074 1.00 0.00 H new ATOM 0 HG SER A 21 40.317 28.223 22.473 1.00 0.00 H new ATOM 367 N ARG A 22 37.033 27.993 20.181 1.00 0.00 N ATOM 368 CA ARG A 22 36.707 28.369 18.793 1.00 0.00 C ATOM 369 C ARG A 22 35.201 28.361 18.501 1.00 0.00 C ATOM 370 O ARG A 22 34.713 29.194 17.739 1.00 0.00 O ATOM 371 CB ARG A 22 37.427 27.412 17.826 1.00 0.00 C ATOM 372 CG ARG A 22 38.966 27.534 17.831 1.00 0.00 C ATOM 373 CD ARG A 22 39.690 26.270 18.325 1.00 0.00 C ATOM 374 NE ARG A 22 39.745 26.173 19.800 1.00 0.00 N ATOM 375 CZ ARG A 22 40.047 25.098 20.506 1.00 0.00 C ATOM 376 NH1 ARG A 22 40.240 23.931 19.963 1.00 0.00 N ATOM 377 NH2 ARG A 22 40.142 25.188 21.799 1.00 0.00 N ATOM 0 H ARG A 22 37.561 27.123 20.241 1.00 0.00 H new ATOM 0 HA ARG A 22 37.048 29.395 18.650 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.156 26.387 18.080 1.00 0.00 H new ATOM 0 HB3 ARG A 22 37.064 27.597 16.815 1.00 0.00 H new ATOM 0 HG2 ARG A 22 39.306 27.764 16.821 1.00 0.00 H new ATOM 0 HG3 ARG A 22 39.252 28.375 18.463 1.00 0.00 H new ATOM 0 HD2 ARG A 22 39.184 25.390 17.927 1.00 0.00 H new ATOM 0 HD3 ARG A 22 40.705 26.261 17.928 1.00 0.00 H new ATOM 0 HE ARG A 22 39.528 27.021 20.324 1.00 0.00 H new ATOM 0 HH11 ARG A 22 40.160 23.819 18.952 1.00 0.00 H new ATOM 0 HH12 ARG A 22 40.472 23.128 20.548 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.984 26.084 22.261 1.00 0.00 H new ATOM 0 HH22 ARG A 22 40.375 24.363 22.352 1.00 0.00 H new ATOM 391 N ASP A 23 34.462 27.437 19.118 1.00 0.00 N ATOM 392 CA ASP A 23 33.012 27.282 18.949 1.00 0.00 C ATOM 393 C ASP A 23 32.222 28.284 19.803 1.00 0.00 C ATOM 394 O ASP A 23 31.316 28.952 19.304 1.00 0.00 O ATOM 395 CB ASP A 23 32.591 25.847 19.307 1.00 0.00 C ATOM 396 CG ASP A 23 33.294 24.736 18.511 1.00 0.00 C ATOM 397 OD1 ASP A 23 33.669 24.948 17.332 1.00 0.00 O ATOM 398 OD2 ASP A 23 33.447 23.627 19.071 1.00 0.00 O ATOM 0 H ASP A 23 34.863 26.758 19.765 1.00 0.00 H new ATOM 0 HA ASP A 23 32.781 27.484 17.903 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.780 25.685 20.368 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.515 25.754 19.156 1.00 0.00 H new ATOM 403 N VAL A 24 32.581 28.421 21.088 1.00 0.00 N ATOM 404 CA VAL A 24 31.882 29.303 22.037 1.00 0.00 C ATOM 405 C VAL A 24 32.086 30.789 21.701 1.00 0.00 C ATOM 406 O VAL A 24 31.178 31.587 21.915 1.00 0.00 O ATOM 407 CB VAL A 24 32.258 28.949 23.492 1.00 0.00 C ATOM 408 CG1 VAL A 24 33.630 29.485 23.905 1.00 0.00 C ATOM 409 CG2 VAL A 24 31.233 29.471 24.502 1.00 0.00 C ATOM 0 H VAL A 24 33.368 27.921 21.501 1.00 0.00 H new ATOM 0 HA VAL A 24 30.811 29.129 21.937 1.00 0.00 H new ATOM 0 HB VAL A 24 32.277 27.859 23.507 1.00 0.00 H new ATOM 0 HG11 VAL A 24 33.835 29.203 24.938 1.00 0.00 H new ATOM 0 HG12 VAL A 24 34.396 29.063 23.254 1.00 0.00 H new ATOM 0 HG13 VAL A 24 33.638 30.571 23.818 1.00 0.00 H new ATOM 0 HG21 VAL A 24 31.543 29.196 25.510 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.167 30.556 24.426 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.258 29.033 24.290 1.00 0.00 H new ATOM 419 N GLU A 25 33.213 31.162 21.079 1.00 0.00 N ATOM 420 CA GLU A 25 33.399 32.486 20.468 1.00 0.00 C ATOM 421 C GLU A 25 32.314 32.773 19.421 1.00 0.00 C ATOM 422 O GLU A 25 31.525 33.706 19.584 1.00 0.00 O ATOM 423 CB GLU A 25 34.786 32.598 19.807 1.00 0.00 C ATOM 424 CG GLU A 25 35.892 32.960 20.802 1.00 0.00 C ATOM 425 CD GLU A 25 37.314 32.885 20.201 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.477 32.861 18.954 1.00 0.00 O ATOM 427 OE2 GLU A 25 38.300 32.896 20.976 1.00 0.00 O ATOM 0 H GLU A 25 34.025 30.552 20.985 1.00 0.00 H new ATOM 0 HA GLU A 25 33.322 33.223 21.268 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.032 31.651 19.327 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.749 33.353 19.022 1.00 0.00 H new ATOM 0 HG2 GLU A 25 35.717 33.969 21.175 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.833 32.288 21.658 1.00 0.00 H new ATOM 434 N ASN A 26 32.235 31.953 18.366 1.00 0.00 N ATOM 435 CA ASN A 26 31.304 32.156 17.251 1.00 0.00 C ATOM 436 C ASN A 26 29.827 32.063 17.684 1.00 0.00 C ATOM 437 O ASN A 26 28.974 32.729 17.094 1.00 0.00 O ATOM 438 CB ASN A 26 31.628 31.158 16.121 1.00 0.00 C ATOM 439 CG ASN A 26 32.874 31.510 15.320 1.00 0.00 C ATOM 440 OD1 ASN A 26 33.752 32.258 15.734 1.00 0.00 O ATOM 441 ND2 ASN A 26 32.981 31.008 14.111 1.00 0.00 N ATOM 0 H ASN A 26 32.820 31.124 18.262 1.00 0.00 H new ATOM 0 HA ASN A 26 31.440 33.172 16.881 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.755 30.165 16.553 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.776 31.104 15.443 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.787 31.242 13.531 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.258 30.384 13.752 1.00 0.00 H new ATOM 448 N GLU A 27 29.519 31.290 18.731 1.00 0.00 N ATOM 449 CA GLU A 27 28.203 31.286 19.373 1.00 0.00 C ATOM 450 C GLU A 27 27.890 32.628 20.063 1.00 0.00 C ATOM 451 O GLU A 27 26.845 33.227 19.801 1.00 0.00 O ATOM 452 CB GLU A 27 28.123 30.105 20.357 1.00 0.00 C ATOM 453 CG GLU A 27 26.770 30.028 21.081 1.00 0.00 C ATOM 454 CD GLU A 27 26.564 28.677 21.791 1.00 0.00 C ATOM 455 OE1 GLU A 27 27.519 28.139 22.400 1.00 0.00 O ATOM 456 OE2 GLU A 27 25.427 28.145 21.749 1.00 0.00 O ATOM 0 H GLU A 27 30.183 30.645 19.159 1.00 0.00 H new ATOM 0 HA GLU A 27 27.440 31.160 18.605 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.295 29.174 19.816 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.920 30.197 21.094 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.705 30.834 21.812 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.966 30.184 20.362 1.00 0.00 H new ATOM 463 N PHE A 28 28.785 33.122 20.926 1.00 0.00 N ATOM 464 CA PHE A 28 28.515 34.301 21.757 1.00 0.00 C ATOM 465 C PHE A 28 28.702 35.662 21.070 1.00 0.00 C ATOM 466 O PHE A 28 28.092 36.624 21.537 1.00 0.00 O ATOM 467 CB PHE A 28 29.251 34.204 23.101 1.00 0.00 C ATOM 468 CG PHE A 28 28.454 33.406 24.118 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.495 34.057 24.915 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.594 32.007 24.206 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.679 33.318 25.788 1.00 0.00 C ATOM 472 CE2 PHE A 28 27.796 31.269 25.096 1.00 0.00 C ATOM 473 CZ PHE A 28 26.836 31.923 25.887 1.00 0.00 C ATOM 0 H PHE A 28 29.711 32.719 21.068 1.00 0.00 H new ATOM 0 HA PHE A 28 27.442 34.274 21.946 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.224 33.735 22.951 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.436 35.206 23.488 1.00 0.00 H new ATOM 0 HD1 PHE A 28 27.385 35.130 24.856 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.318 31.499 23.586 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.931 33.821 26.383 1.00 0.00 H new ATOM 0 HE2 PHE A 28 27.920 30.199 25.172 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.220 31.356 26.569 1.00 0.00 H new ATOM 483 N ARG A 29 29.425 35.786 19.942 1.00 0.00 N ATOM 484 CA ARG A 29 29.587 37.093 19.255 1.00 0.00 C ATOM 485 C ARG A 29 28.259 37.771 18.866 1.00 0.00 C ATOM 486 O ARG A 29 28.214 39.001 18.811 1.00 0.00 O ATOM 487 CB ARG A 29 30.518 37.010 18.029 1.00 0.00 C ATOM 488 CG ARG A 29 31.992 36.737 18.380 1.00 0.00 C ATOM 489 CD ARG A 29 32.975 37.414 17.418 1.00 0.00 C ATOM 490 NE ARG A 29 33.161 38.847 17.732 1.00 0.00 N ATOM 491 CZ ARG A 29 33.357 39.842 16.886 1.00 0.00 C ATOM 492 NH1 ARG A 29 33.337 39.673 15.593 1.00 0.00 N ATOM 493 NH2 ARG A 29 33.588 41.042 17.331 1.00 0.00 N ATOM 0 H ARG A 29 29.904 35.010 19.486 1.00 0.00 H new ATOM 0 HA ARG A 29 30.058 37.727 20.006 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.161 36.221 17.367 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.455 37.946 17.473 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.188 37.085 19.394 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.168 35.661 18.372 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.938 36.905 17.466 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.610 37.311 16.396 1.00 0.00 H new ATOM 0 HE ARG A 29 33.135 39.097 18.721 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.165 38.747 15.202 1.00 0.00 H new ATOM 0 HH12 ARG A 29 33.493 40.467 14.972 1.00 0.00 H new ATOM 0 HH21 ARG A 29 33.618 41.216 18.336 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.739 41.809 16.675 1.00 0.00 H new ATOM 507 N LYS A 30 27.173 37.012 18.647 1.00 0.00 N ATOM 508 CA LYS A 30 25.825 37.570 18.386 1.00 0.00 C ATOM 509 C LYS A 30 25.145 38.147 19.643 1.00 0.00 C ATOM 510 O LYS A 30 24.347 39.075 19.534 1.00 0.00 O ATOM 511 CB LYS A 30 24.958 36.551 17.605 1.00 0.00 C ATOM 512 CG LYS A 30 24.063 35.596 18.424 1.00 0.00 C ATOM 513 CD LYS A 30 22.647 36.157 18.642 1.00 0.00 C ATOM 514 CE LYS A 30 21.772 35.231 19.499 1.00 0.00 C ATOM 515 NZ LYS A 30 20.388 35.766 19.610 1.00 0.00 N ATOM 0 H LYS A 30 27.199 35.992 18.645 1.00 0.00 H new ATOM 0 HA LYS A 30 25.946 38.441 17.742 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.317 37.109 16.923 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.624 35.944 16.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.995 34.637 17.910 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.528 35.407 19.391 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.717 37.133 19.123 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.168 36.311 17.675 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.747 34.235 19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.208 35.128 20.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.827 35.152 20.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.418 36.727 20.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.950 35.793 18.667 1.00 0.00 H new ATOM 529 N TYR A 31 25.478 37.627 20.829 1.00 0.00 N ATOM 530 CA TYR A 31 25.010 38.132 22.131 1.00 0.00 C ATOM 531 C TYR A 31 25.726 39.445 22.494 1.00 0.00 C ATOM 532 O TYR A 31 25.120 40.351 23.070 1.00 0.00 O ATOM 533 CB TYR A 31 25.249 37.091 23.248 1.00 0.00 C ATOM 534 CG TYR A 31 24.528 35.752 23.146 1.00 0.00 C ATOM 535 CD1 TYR A 31 24.825 34.846 22.107 1.00 0.00 C ATOM 536 CD2 TYR A 31 23.608 35.368 24.145 1.00 0.00 C ATOM 537 CE1 TYR A 31 24.186 33.596 22.033 1.00 0.00 C ATOM 538 CE2 TYR A 31 22.968 34.114 24.076 1.00 0.00 C ATOM 539 CZ TYR A 31 23.250 33.228 23.019 1.00 0.00 C ATOM 540 OH TYR A 31 22.608 32.031 22.945 1.00 0.00 O ATOM 0 H TYR A 31 26.097 36.821 20.916 1.00 0.00 H new ATOM 0 HA TYR A 31 23.939 38.318 22.046 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.319 36.891 23.294 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.969 37.549 24.197 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.554 35.116 21.357 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.394 36.037 24.965 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.412 32.920 21.222 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.257 33.831 24.838 1.00 0.00 H new ATOM 0 HH TYR A 31 22.678 31.568 23.806 1.00 0.00 H new ATOM 550 N GLY A 32 27.013 39.551 22.147 1.00 0.00 N ATOM 551 CA GLY A 32 27.862 40.727 22.342 1.00 0.00 C ATOM 552 C GLY A 32 29.350 40.390 22.183 1.00 0.00 C ATOM 553 O GLY A 32 29.720 39.244 21.928 1.00 0.00 O ATOM 0 H GLY A 32 27.513 38.782 21.702 1.00 0.00 H new ATOM 0 HA2 GLY A 32 27.585 41.498 21.623 1.00 0.00 H new ATOM 0 HA3 GLY A 32 27.687 41.140 23.335 1.00 0.00 H new ATOM 557 N ASN A 33 30.221 41.393 22.297 1.00 0.00 N ATOM 558 CA ASN A 33 31.655 41.209 22.064 1.00 0.00 C ATOM 559 C ASN A 33 32.364 40.544 23.267 1.00 0.00 C ATOM 560 O ASN A 33 32.429 41.104 24.365 1.00 0.00 O ATOM 561 CB ASN A 33 32.267 42.558 21.663 1.00 0.00 C ATOM 562 CG ASN A 33 33.669 42.390 21.109 1.00 0.00 C ATOM 563 OD1 ASN A 33 33.896 41.642 20.165 1.00 0.00 O ATOM 564 ND2 ASN A 33 34.638 43.077 21.665 1.00 0.00 N ATOM 0 H ASN A 33 29.958 42.345 22.550 1.00 0.00 H new ATOM 0 HA ASN A 33 31.804 40.509 21.241 1.00 0.00 H new ATOM 0 HB2 ASN A 33 31.635 43.038 20.916 1.00 0.00 H new ATOM 0 HB3 ASN A 33 32.294 43.218 22.530 1.00 0.00 H new ATOM 0 HD21 ASN A 33 35.591 42.992 21.312 1.00 0.00 H new ATOM 0 HD22 ASN A 33 34.438 43.697 22.450 1.00 0.00 H new ATOM 571 N ILE A 34 32.909 39.346 23.034 1.00 0.00 N ATOM 572 CA ILE A 34 33.694 38.537 23.980 1.00 0.00 C ATOM 573 C ILE A 34 35.156 39.015 24.056 1.00 0.00 C ATOM 574 O ILE A 34 35.773 39.298 23.025 1.00 0.00 O ATOM 575 CB ILE A 34 33.541 37.026 23.643 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.499 36.070 24.399 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.548 36.711 22.133 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.899 35.842 23.801 1.00 0.00 C ATOM 0 H ILE A 34 32.810 38.886 22.129 1.00 0.00 H new ATOM 0 HA ILE A 34 33.299 38.675 24.987 1.00 0.00 H new ATOM 0 HB ILE A 34 32.541 36.817 24.024 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.625 36.453 25.412 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.008 35.100 24.483 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.437 35.637 21.985 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.722 37.232 21.649 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.491 37.042 21.697 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.457 35.153 24.434 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.803 35.419 22.801 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.429 36.793 23.744 1.00 0.00 H new ATOM 590 N LEU A 35 35.719 39.069 25.270 1.00 0.00 N ATOM 591 CA LEU A 35 37.145 39.349 25.519 1.00 0.00 C ATOM 592 C LEU A 35 37.975 38.066 25.711 1.00 0.00 C ATOM 593 O LEU A 35 39.075 37.955 25.163 1.00 0.00 O ATOM 594 CB LEU A 35 37.328 40.256 26.755 1.00 0.00 C ATOM 595 CG LEU A 35 36.735 41.682 26.724 1.00 0.00 C ATOM 596 CD1 LEU A 35 37.022 42.430 25.422 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.237 41.712 27.001 1.00 0.00 C ATOM 0 H LEU A 35 35.187 38.916 26.127 1.00 0.00 H new ATOM 0 HA LEU A 35 37.510 39.862 24.629 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.897 39.738 27.612 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.398 40.347 26.942 1.00 0.00 H new ATOM 0 HG LEU A 35 37.248 42.199 27.535 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.577 43.424 25.468 1.00 0.00 H new ATOM 0 HD12 LEU A 35 38.099 42.521 25.284 1.00 0.00 H new ATOM 0 HD13 LEU A 35 36.594 41.879 24.584 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.881 42.742 26.965 1.00 0.00 H new ATOM 0 HD22 LEU A 35 34.716 41.121 26.248 1.00 0.00 H new ATOM 0 HD23 LEU A 35 35.041 41.295 27.989 1.00 0.00 H new ATOM 609 N LYS A 36 37.451 37.104 26.485 1.00 0.00 N ATOM 610 CA LYS A 36 38.091 35.819 26.831 1.00 0.00 C ATOM 611 C LYS A 36 37.026 34.767 27.179 1.00 0.00 C ATOM 612 O LYS A 36 35.989 35.109 27.739 1.00 0.00 O ATOM 613 CB LYS A 36 39.096 36.061 27.982 1.00 0.00 C ATOM 614 CG LYS A 36 39.860 34.803 28.437 1.00 0.00 C ATOM 615 CD LYS A 36 39.220 34.119 29.661 1.00 0.00 C ATOM 616 CE LYS A 36 39.467 32.605 29.673 1.00 0.00 C ATOM 617 NZ LYS A 36 40.892 32.225 29.814 1.00 0.00 N ATOM 0 H LYS A 36 36.528 37.202 26.908 1.00 0.00 H new ATOM 0 HA LYS A 36 38.643 35.423 25.979 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.817 36.814 27.665 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.559 36.473 28.836 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.903 34.092 27.612 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.888 35.076 28.676 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.624 34.559 30.573 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.147 34.311 29.662 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.901 32.162 30.493 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.078 32.177 28.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.074 31.355 29.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.493 32.991 29.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.110 32.061 30.818 1.00 0.00 H new ATOM 631 N CYS A 37 37.274 33.493 26.878 1.00 0.00 N ATOM 632 CA CYS A 37 36.348 32.390 27.158 1.00 0.00 C ATOM 633 C CYS A 37 37.088 31.091 27.519 1.00 0.00 C ATOM 634 O CYS A 37 38.206 30.852 27.059 1.00 0.00 O ATOM 635 CB CYS A 37 35.411 32.202 25.955 1.00 0.00 C ATOM 636 SG CYS A 37 36.359 31.744 24.470 1.00 0.00 S ATOM 0 H CYS A 37 38.137 33.191 26.426 1.00 0.00 H new ATOM 0 HA CYS A 37 35.752 32.645 28.034 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.676 31.428 26.177 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.858 33.123 25.770 1.00 0.00 H new ATOM 0 HG CYS A 37 37.467 31.164 24.824 1.00 0.00 H new ATOM 642 N ASP A 38 36.480 30.259 28.366 1.00 0.00 N ATOM 643 CA ASP A 38 36.976 28.919 28.718 1.00 0.00 C ATOM 644 C ASP A 38 35.862 28.035 29.305 1.00 0.00 C ATOM 645 O ASP A 38 34.820 28.526 29.757 1.00 0.00 O ATOM 646 CB ASP A 38 38.172 29.014 29.695 1.00 0.00 C ATOM 647 CG ASP A 38 39.532 28.763 29.018 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.658 27.776 28.252 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.491 29.519 29.302 1.00 0.00 O ATOM 0 H ASP A 38 35.609 30.499 28.839 1.00 0.00 H new ATOM 0 HA ASP A 38 37.319 28.446 27.798 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.179 30.002 30.154 1.00 0.00 H new ATOM 0 HB3 ASP A 38 38.035 28.290 30.498 1.00 0.00 H new ATOM 654 N VAL A 39 36.097 26.720 29.310 1.00 0.00 N ATOM 655 CA VAL A 39 35.187 25.699 29.849 1.00 0.00 C ATOM 656 C VAL A 39 35.920 24.845 30.889 1.00 0.00 C ATOM 657 O VAL A 39 37.008 24.329 30.622 1.00 0.00 O ATOM 658 CB VAL A 39 34.575 24.837 28.726 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.599 23.783 29.267 1.00 0.00 C ATOM 660 CG2 VAL A 39 33.814 25.700 27.709 1.00 0.00 C ATOM 0 H VAL A 39 36.954 26.321 28.927 1.00 0.00 H new ATOM 0 HA VAL A 39 34.355 26.200 30.343 1.00 0.00 H new ATOM 0 HB VAL A 39 35.418 24.339 28.246 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.195 23.202 28.438 1.00 0.00 H new ATOM 0 HG12 VAL A 39 34.124 23.119 29.954 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.784 24.279 29.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.395 25.062 26.931 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.008 26.232 28.214 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.498 26.420 27.259 1.00 0.00 H new ATOM 670 N LYS A 40 35.318 24.691 32.074 1.00 0.00 N ATOM 671 CA LYS A 40 35.829 23.896 33.207 1.00 0.00 C ATOM 672 C LYS A 40 34.955 22.662 33.455 1.00 0.00 C ATOM 673 O LYS A 40 33.854 22.560 32.912 1.00 0.00 O ATOM 674 CB LYS A 40 35.930 24.773 34.473 1.00 0.00 C ATOM 675 CG LYS A 40 36.760 26.064 34.282 1.00 0.00 C ATOM 676 CD LYS A 40 35.893 27.339 34.222 1.00 0.00 C ATOM 677 CE LYS A 40 35.670 28.060 35.567 1.00 0.00 C ATOM 678 NZ LYS A 40 35.389 27.141 36.701 1.00 0.00 N ATOM 0 H LYS A 40 34.423 25.134 32.283 1.00 0.00 H new ATOM 0 HA LYS A 40 36.829 23.542 32.955 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.925 25.044 34.795 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.374 24.184 35.276 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.473 26.155 35.102 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.340 25.983 33.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.357 28.040 33.528 1.00 0.00 H new ATOM 0 HD3 LYS A 40 34.920 27.076 33.806 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.554 28.652 35.802 1.00 0.00 H new ATOM 0 HE3 LYS A 40 34.838 28.757 35.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.687 27.575 37.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.016 26.242 36.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.267 26.962 37.229 1.00 0.00 H new ATOM 692 N LYS A 41 35.422 21.742 34.309 1.00 0.00 N ATOM 693 CA LYS A 41 34.657 20.568 34.775 1.00 0.00 C ATOM 694 C LYS A 41 34.932 20.225 36.244 1.00 0.00 C ATOM 695 O LYS A 41 36.037 20.449 36.739 1.00 0.00 O ATOM 696 CB LYS A 41 34.846 19.359 33.829 1.00 0.00 C ATOM 697 CG LYS A 41 36.154 18.553 33.965 1.00 0.00 C ATOM 698 CD LYS A 41 37.466 19.287 33.637 1.00 0.00 C ATOM 699 CE LYS A 41 37.505 19.794 32.189 1.00 0.00 C ATOM 700 NZ LYS A 41 38.830 20.382 31.848 1.00 0.00 N ATOM 0 H LYS A 41 36.360 21.790 34.706 1.00 0.00 H new ATOM 0 HA LYS A 41 33.602 20.839 34.735 1.00 0.00 H new ATOM 0 HB2 LYS A 41 34.011 18.676 33.984 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.777 19.720 32.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 36.219 18.184 34.989 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.083 17.680 33.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.588 20.130 34.318 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.307 18.615 33.807 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.286 18.971 31.509 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.726 20.543 32.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.819 20.714 30.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 39.027 21.183 32.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.570 19.660 31.962 1.00 0.00 H new ATOM 714 N THR A 42 33.929 19.677 36.925 1.00 0.00 N ATOM 715 CA THR A 42 34.047 19.120 38.290 1.00 0.00 C ATOM 716 C THR A 42 34.427 17.634 38.253 1.00 0.00 C ATOM 717 O THR A 42 34.163 16.937 37.269 1.00 0.00 O ATOM 718 CB THR A 42 32.764 19.368 39.112 1.00 0.00 C ATOM 719 OG1 THR A 42 32.836 18.713 40.361 1.00 0.00 O ATOM 720 CG2 THR A 42 31.483 18.865 38.451 1.00 0.00 C ATOM 0 H THR A 42 32.986 19.601 36.544 1.00 0.00 H new ATOM 0 HA THR A 42 34.856 19.646 38.796 1.00 0.00 H new ATOM 0 HB THR A 42 32.715 20.453 39.204 1.00 0.00 H new ATOM 0 HG1 THR A 42 32.015 18.884 40.868 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.632 19.080 39.097 1.00 0.00 H new ATOM 0 HG22 THR A 42 31.347 19.366 37.492 1.00 0.00 H new ATOM 0 HG23 THR A 42 31.554 17.789 38.291 1.00 0.00 H new ATOM 728 N VAL A 43 34.990 17.117 39.349 1.00 0.00 N ATOM 729 CA VAL A 43 35.219 15.672 39.575 1.00 0.00 C ATOM 730 C VAL A 43 33.916 14.850 39.576 1.00 0.00 C ATOM 731 O VAL A 43 33.956 13.643 39.339 1.00 0.00 O ATOM 732 CB VAL A 43 36.005 15.427 40.880 1.00 0.00 C ATOM 733 CG1 VAL A 43 37.391 16.080 40.823 1.00 0.00 C ATOM 734 CG2 VAL A 43 35.273 15.926 42.138 1.00 0.00 C ATOM 0 H VAL A 43 35.309 17.697 40.125 1.00 0.00 H new ATOM 0 HA VAL A 43 35.816 15.327 38.731 1.00 0.00 H new ATOM 0 HB VAL A 43 36.102 14.344 40.958 1.00 0.00 H new ATOM 0 HG11 VAL A 43 37.921 15.890 41.756 1.00 0.00 H new ATOM 0 HG12 VAL A 43 37.957 15.660 39.992 1.00 0.00 H new ATOM 0 HG13 VAL A 43 37.281 17.155 40.680 1.00 0.00 H new ATOM 0 HG21 VAL A 43 35.882 15.722 43.018 1.00 0.00 H new ATOM 0 HG22 VAL A 43 35.101 16.999 42.057 1.00 0.00 H new ATOM 0 HG23 VAL A 43 34.317 15.411 42.231 1.00 0.00 H new ATOM 744 N SER A 44 32.758 15.495 39.777 1.00 0.00 N ATOM 745 CA SER A 44 31.421 14.889 39.616 1.00 0.00 C ATOM 746 C SER A 44 31.034 14.637 38.136 1.00 0.00 C ATOM 747 O SER A 44 30.074 13.917 37.848 1.00 0.00 O ATOM 748 CB SER A 44 30.396 15.775 40.337 1.00 0.00 C ATOM 749 OG SER A 44 29.127 15.146 40.440 1.00 0.00 O ATOM 0 H SER A 44 32.720 16.474 40.062 1.00 0.00 H new ATOM 0 HA SER A 44 31.436 13.897 40.068 1.00 0.00 H new ATOM 0 HB2 SER A 44 30.763 16.016 41.335 1.00 0.00 H new ATOM 0 HB3 SER A 44 30.291 16.718 39.800 1.00 0.00 H new ATOM 0 HG SER A 44 28.972 14.591 39.647 1.00 0.00 H new ATOM 755 N GLY A 45 31.796 15.189 37.179 1.00 0.00 N ATOM 756 CA GLY A 45 31.671 14.957 35.732 1.00 0.00 C ATOM 757 C GLY A 45 30.888 16.024 34.947 1.00 0.00 C ATOM 758 O GLY A 45 30.932 16.018 33.715 1.00 0.00 O ATOM 0 H GLY A 45 32.550 15.838 37.403 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.672 14.883 35.307 1.00 0.00 H new ATOM 0 HA3 GLY A 45 31.187 13.992 35.578 1.00 0.00 H new ATOM 762 N ALA A 46 30.202 16.954 35.623 1.00 0.00 N ATOM 763 CA ALA A 46 29.539 18.096 34.985 1.00 0.00 C ATOM 764 C ALA A 46 30.547 19.146 34.468 1.00 0.00 C ATOM 765 O ALA A 46 31.624 19.325 35.045 1.00 0.00 O ATOM 766 CB ALA A 46 28.532 18.706 35.969 1.00 0.00 C ATOM 0 H ALA A 46 30.091 16.934 36.637 1.00 0.00 H new ATOM 0 HA ALA A 46 29.006 17.741 34.103 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.035 19.556 35.501 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.789 17.956 36.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.055 19.040 36.865 1.00 0.00 H new ATOM 772 N ALA A 47 30.178 19.863 33.403 1.00 0.00 N ATOM 773 CA ALA A 47 30.976 20.922 32.776 1.00 0.00 C ATOM 774 C ALA A 47 30.304 22.307 32.875 1.00 0.00 C ATOM 775 O ALA A 47 29.076 22.404 32.994 1.00 0.00 O ATOM 776 CB ALA A 47 31.273 20.518 31.327 1.00 0.00 C ATOM 0 H ALA A 47 29.283 19.717 32.936 1.00 0.00 H new ATOM 0 HA ALA A 47 31.916 21.027 33.318 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.866 21.296 30.847 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.828 19.580 31.317 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.336 20.390 30.786 1.00 0.00 H new ATOM 782 N PHE A 48 31.103 23.372 32.799 1.00 0.00 N ATOM 783 CA PHE A 48 30.671 24.761 32.991 1.00 0.00 C ATOM 784 C PHE A 48 31.420 25.715 32.045 1.00 0.00 C ATOM 785 O PHE A 48 32.652 25.756 32.070 1.00 0.00 O ATOM 786 CB PHE A 48 30.905 25.199 34.453 1.00 0.00 C ATOM 787 CG PHE A 48 30.547 24.185 35.527 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.241 24.114 36.045 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.540 23.314 36.017 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.924 23.165 37.034 1.00 0.00 C ATOM 791 CE2 PHE A 48 31.226 22.379 37.017 1.00 0.00 C ATOM 792 CZ PHE A 48 29.918 22.299 37.521 1.00 0.00 C ATOM 0 H PHE A 48 32.099 23.292 32.596 1.00 0.00 H new ATOM 0 HA PHE A 48 29.607 24.810 32.762 1.00 0.00 H new ATOM 0 HB2 PHE A 48 31.957 25.461 34.567 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.329 26.107 34.634 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.480 24.789 35.683 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.544 23.365 35.623 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.917 23.102 37.419 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.992 21.720 37.399 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.676 21.572 38.282 1.00 0.00 H new ATOM 802 N ALA A 49 30.706 26.497 31.231 1.00 0.00 N ATOM 803 CA ALA A 49 31.294 27.536 30.379 1.00 0.00 C ATOM 804 C ALA A 49 31.250 28.918 31.052 1.00 0.00 C ATOM 805 O ALA A 49 30.253 29.276 31.685 1.00 0.00 O ATOM 806 CB ALA A 49 30.588 27.572 29.019 1.00 0.00 C ATOM 0 H ALA A 49 29.692 26.426 31.143 1.00 0.00 H new ATOM 0 HA ALA A 49 32.343 27.284 30.224 1.00 0.00 H new ATOM 0 HB1 ALA A 49 31.035 28.348 28.397 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.697 26.605 28.527 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.530 27.788 29.164 1.00 0.00 H new ATOM 812 N PHE A 50 32.308 29.709 30.849 1.00 0.00 N ATOM 813 CA PHE A 50 32.412 31.102 31.295 1.00 0.00 C ATOM 814 C PHE A 50 32.956 31.986 30.161 1.00 0.00 C ATOM 815 O PHE A 50 33.947 31.636 29.515 1.00 0.00 O ATOM 816 CB PHE A 50 33.290 31.205 32.549 1.00 0.00 C ATOM 817 CG PHE A 50 32.716 30.593 33.815 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.774 29.201 34.025 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.171 31.423 34.814 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.311 28.648 35.232 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.717 30.871 36.023 1.00 0.00 C ATOM 822 CZ PHE A 50 31.796 29.484 36.238 1.00 0.00 C ATOM 0 H PHE A 50 33.141 29.388 30.355 1.00 0.00 H new ATOM 0 HA PHE A 50 31.416 31.460 31.556 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.247 30.726 32.339 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.496 32.258 32.739 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.175 28.557 33.257 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.102 32.488 34.650 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.351 27.580 35.386 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.307 31.513 36.788 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.462 29.062 37.174 1.00 0.00 H new ATOM 832 N ILE A 51 32.306 33.132 29.918 1.00 0.00 N ATOM 833 CA ILE A 51 32.556 33.993 28.747 1.00 0.00 C ATOM 834 C ILE A 51 32.596 35.470 29.171 1.00 0.00 C ATOM 835 O ILE A 51 31.565 36.054 29.500 1.00 0.00 O ATOM 836 CB ILE A 51 31.494 33.746 27.637 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.224 32.259 27.294 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.946 34.450 26.349 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.055 31.648 28.079 1.00 0.00 C ATOM 0 H ILE A 51 31.581 33.495 30.536 1.00 0.00 H new ATOM 0 HA ILE A 51 33.529 33.736 28.327 1.00 0.00 H new ATOM 0 HB ILE A 51 30.562 34.143 28.039 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.018 32.173 26.227 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.126 31.680 27.493 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.208 34.283 25.565 1.00 0.00 H new ATOM 0 HG22 ILE A 51 32.043 35.520 26.534 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.909 34.048 26.033 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.925 30.606 27.786 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.266 31.701 29.147 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.142 32.202 27.862 1.00 0.00 H new ATOM 851 N GLU A 52 33.785 36.076 29.182 1.00 0.00 N ATOM 852 CA GLU A 52 34.040 37.466 29.599 1.00 0.00 C ATOM 853 C GLU A 52 33.575 38.485 28.544 1.00 0.00 C ATOM 854 O GLU A 52 33.885 38.339 27.359 1.00 0.00 O ATOM 855 CB GLU A 52 35.536 37.618 29.918 1.00 0.00 C ATOM 856 CG GLU A 52 35.889 38.997 30.489 1.00 0.00 C ATOM 857 CD GLU A 52 37.393 39.144 30.810 1.00 0.00 C ATOM 858 OE1 GLU A 52 38.013 38.199 31.351 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.961 40.227 30.531 1.00 0.00 O ATOM 0 H GLU A 52 34.636 35.596 28.889 1.00 0.00 H new ATOM 0 HA GLU A 52 33.455 37.680 30.493 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.830 36.849 30.632 1.00 0.00 H new ATOM 0 HB3 GLU A 52 36.115 37.448 29.010 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.598 39.767 29.774 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.310 39.169 31.396 1.00 0.00 H new ATOM 866 N PHE A 53 32.853 39.525 28.972 1.00 0.00 N ATOM 867 CA PHE A 53 32.061 40.430 28.121 1.00 0.00 C ATOM 868 C PHE A 53 32.257 41.919 28.474 1.00 0.00 C ATOM 869 O PHE A 53 32.586 42.260 29.611 1.00 0.00 O ATOM 870 CB PHE A 53 30.576 40.042 28.252 1.00 0.00 C ATOM 871 CG PHE A 53 29.998 39.334 27.047 1.00 0.00 C ATOM 872 CD1 PHE A 53 30.572 38.144 26.556 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.845 39.849 26.429 1.00 0.00 C ATOM 874 CE1 PHE A 53 30.007 37.490 25.449 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.256 39.169 25.350 1.00 0.00 C ATOM 876 CZ PHE A 53 28.848 37.998 24.848 1.00 0.00 C ATOM 0 H PHE A 53 32.800 39.773 29.960 1.00 0.00 H new ATOM 0 HA PHE A 53 32.406 40.316 27.093 1.00 0.00 H new ATOM 0 HB2 PHE A 53 30.458 39.400 29.125 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.994 40.944 28.440 1.00 0.00 H new ATOM 0 HD1 PHE A 53 31.450 37.734 27.033 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.410 40.771 26.785 1.00 0.00 H new ATOM 0 HE1 PHE A 53 30.467 36.594 25.060 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.347 39.547 24.906 1.00 0.00 H new ATOM 0 HZ PHE A 53 28.411 37.491 24.001 1.00 0.00 H new ATOM 886 N GLU A 54 32.017 42.813 27.507 1.00 0.00 N ATOM 887 CA GLU A 54 32.142 44.275 27.703 1.00 0.00 C ATOM 888 C GLU A 54 30.825 44.990 28.080 1.00 0.00 C ATOM 889 O GLU A 54 30.871 45.965 28.834 1.00 0.00 O ATOM 890 CB GLU A 54 32.817 44.925 26.478 1.00 0.00 C ATOM 891 CG GLU A 54 31.996 44.901 25.181 1.00 0.00 C ATOM 892 CD GLU A 54 32.808 45.467 23.999 1.00 0.00 C ATOM 893 OE1 GLU A 54 33.898 44.932 23.683 1.00 0.00 O ATOM 894 OE2 GLU A 54 32.347 46.438 23.350 1.00 0.00 O ATOM 0 H GLU A 54 31.730 42.550 26.564 1.00 0.00 H new ATOM 0 HA GLU A 54 32.781 44.407 28.576 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.050 45.962 26.721 1.00 0.00 H new ATOM 0 HB3 GLU A 54 33.765 44.419 26.297 1.00 0.00 H new ATOM 0 HG2 GLU A 54 31.690 43.878 24.960 1.00 0.00 H new ATOM 0 HG3 GLU A 54 31.085 45.485 25.313 1.00 0.00 H new ATOM 901 N ASP A 55 29.661 44.513 27.615 1.00 0.00 N ATOM 902 CA ASP A 55 28.341 45.139 27.829 1.00 0.00 C ATOM 903 C ASP A 55 27.312 44.156 28.421 1.00 0.00 C ATOM 904 O ASP A 55 26.747 43.314 27.718 1.00 0.00 O ATOM 905 CB ASP A 55 27.809 45.752 26.519 1.00 0.00 C ATOM 906 CG ASP A 55 28.535 47.022 26.039 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.044 47.812 26.872 1.00 0.00 O ATOM 908 OD2 ASP A 55 28.529 47.281 24.811 1.00 0.00 O ATOM 0 H ASP A 55 29.607 43.657 27.063 1.00 0.00 H new ATOM 0 HA ASP A 55 28.483 45.934 28.561 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.873 44.999 25.734 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.753 45.986 26.651 1.00 0.00 H new ATOM 913 N ALA A 56 27.035 44.294 29.722 1.00 0.00 N ATOM 914 CA ALA A 56 26.112 43.440 30.477 1.00 0.00 C ATOM 915 C ALA A 56 24.651 43.532 29.993 1.00 0.00 C ATOM 916 O ALA A 56 24.039 42.518 29.660 1.00 0.00 O ATOM 917 CB ALA A 56 26.237 43.824 31.958 1.00 0.00 C ATOM 0 H ALA A 56 27.459 45.024 30.295 1.00 0.00 H new ATOM 0 HA ALA A 56 26.389 42.398 30.318 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.563 43.207 32.552 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.263 43.664 32.290 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.975 44.874 32.085 1.00 0.00 H new ATOM 923 N ARG A 57 24.078 44.743 29.927 1.00 0.00 N ATOM 924 CA ARG A 57 22.651 44.933 29.583 1.00 0.00 C ATOM 925 C ARG A 57 22.317 44.638 28.117 1.00 0.00 C ATOM 926 O ARG A 57 21.186 44.264 27.811 1.00 0.00 O ATOM 927 CB ARG A 57 22.163 46.318 30.039 1.00 0.00 C ATOM 928 CG ARG A 57 22.723 47.511 29.246 1.00 0.00 C ATOM 929 CD ARG A 57 22.416 48.845 29.948 1.00 0.00 C ATOM 930 NE ARG A 57 20.979 49.014 30.252 1.00 0.00 N ATOM 931 CZ ARG A 57 20.030 49.432 29.432 1.00 0.00 C ATOM 932 NH1 ARG A 57 20.271 49.781 28.199 1.00 0.00 N ATOM 933 NH2 ARG A 57 18.796 49.503 29.844 1.00 0.00 N ATOM 0 H ARG A 57 24.580 45.613 30.107 1.00 0.00 H new ATOM 0 HA ARG A 57 22.094 44.179 30.139 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.075 46.340 29.975 1.00 0.00 H new ATOM 0 HB3 ARG A 57 22.423 46.448 31.089 1.00 0.00 H new ATOM 0 HG2 ARG A 57 23.801 47.399 29.130 1.00 0.00 H new ATOM 0 HG3 ARG A 57 22.293 47.518 28.244 1.00 0.00 H new ATOM 0 HD2 ARG A 57 22.988 48.903 30.874 1.00 0.00 H new ATOM 0 HD3 ARG A 57 22.748 49.668 29.316 1.00 0.00 H new ATOM 0 HE ARG A 57 20.687 48.782 31.201 1.00 0.00 H new ATOM 0 HH11 ARG A 57 21.222 49.737 27.833 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.508 50.098 27.600 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.561 49.236 30.800 1.00 0.00 H new ATOM 0 HH22 ARG A 57 18.065 49.826 29.210 1.00 0.00 H new ATOM 947 N ASP A 58 23.300 44.748 27.221 1.00 0.00 N ATOM 948 CA ASP A 58 23.178 44.308 25.823 1.00 0.00 C ATOM 949 C ASP A 58 23.131 42.769 25.729 1.00 0.00 C ATOM 950 O ASP A 58 22.250 42.202 25.079 1.00 0.00 O ATOM 951 CB ASP A 58 24.355 44.878 25.014 1.00 0.00 C ATOM 952 CG ASP A 58 24.213 44.692 23.491 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.074 44.626 22.971 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.258 44.667 22.798 1.00 0.00 O ATOM 0 H ASP A 58 24.212 45.148 27.444 1.00 0.00 H new ATOM 0 HA ASP A 58 22.243 44.683 25.407 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.453 45.941 25.233 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.276 44.399 25.345 1.00 0.00 H new ATOM 959 N ALA A 59 24.028 42.084 26.450 1.00 0.00 N ATOM 960 CA ALA A 59 24.070 40.625 26.520 1.00 0.00 C ATOM 961 C ALA A 59 22.834 40.017 27.205 1.00 0.00 C ATOM 962 O ALA A 59 22.364 38.960 26.785 1.00 0.00 O ATOM 963 CB ALA A 59 25.348 40.217 27.256 1.00 0.00 C ATOM 0 H ALA A 59 24.753 42.537 27.007 1.00 0.00 H new ATOM 0 HA ALA A 59 24.067 40.235 25.502 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.400 39.130 27.320 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.216 40.590 26.712 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.340 40.639 28.261 1.00 0.00 H new ATOM 969 N ALA A 60 22.276 40.686 28.222 1.00 0.00 N ATOM 970 CA ALA A 60 21.109 40.214 28.969 1.00 0.00 C ATOM 971 C ALA A 60 19.890 39.936 28.064 1.00 0.00 C ATOM 972 O ALA A 60 19.223 38.916 28.226 1.00 0.00 O ATOM 973 CB ALA A 60 20.772 41.250 30.050 1.00 0.00 C ATOM 0 H ALA A 60 22.630 41.584 28.552 1.00 0.00 H new ATOM 0 HA ALA A 60 21.357 39.257 29.428 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.904 40.915 30.617 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.623 41.364 30.722 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.550 42.208 29.579 1.00 0.00 H new ATOM 979 N ASP A 61 19.633 40.792 27.067 1.00 0.00 N ATOM 980 CA ASP A 61 18.529 40.623 26.106 1.00 0.00 C ATOM 981 C ASP A 61 18.702 39.394 25.189 1.00 0.00 C ATOM 982 O ASP A 61 17.719 38.791 24.750 1.00 0.00 O ATOM 983 CB ASP A 61 18.412 41.908 25.270 1.00 0.00 C ATOM 984 CG ASP A 61 17.138 41.955 24.405 1.00 0.00 C ATOM 985 OD1 ASP A 61 16.044 41.595 24.899 1.00 0.00 O ATOM 986 OD2 ASP A 61 17.224 42.407 23.237 1.00 0.00 O ATOM 0 H ASP A 61 20.189 41.631 26.901 1.00 0.00 H new ATOM 0 HA ASP A 61 17.615 40.444 26.672 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.423 42.770 25.937 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.286 41.994 24.624 1.00 0.00 H new ATOM 991 N ALA A 62 19.949 38.986 24.919 1.00 0.00 N ATOM 992 CA ALA A 62 20.282 37.783 24.154 1.00 0.00 C ATOM 993 C ALA A 62 20.382 36.511 25.023 1.00 0.00 C ATOM 994 O ALA A 62 20.114 35.411 24.540 1.00 0.00 O ATOM 995 CB ALA A 62 21.586 38.060 23.397 1.00 0.00 C ATOM 0 H ALA A 62 20.773 39.498 25.236 1.00 0.00 H new ATOM 0 HA ALA A 62 19.471 37.573 23.457 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.863 37.181 22.815 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.445 38.908 22.727 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.379 38.288 24.109 1.00 0.00 H new ATOM 1001 N ILE A 63 20.744 36.635 26.307 1.00 0.00 N ATOM 1002 CA ILE A 63 20.806 35.508 27.252 1.00 0.00 C ATOM 1003 C ILE A 63 19.406 35.113 27.754 1.00 0.00 C ATOM 1004 O ILE A 63 19.116 33.924 27.891 1.00 0.00 O ATOM 1005 CB ILE A 63 21.835 35.810 28.379 1.00 0.00 C ATOM 1006 CG1 ILE A 63 22.868 34.669 28.536 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.220 36.207 29.734 1.00 0.00 C ATOM 1008 CD1 ILE A 63 22.326 33.330 29.055 1.00 0.00 C ATOM 0 H ILE A 63 21.005 37.528 26.724 1.00 0.00 H new ATOM 0 HA ILE A 63 21.173 34.621 26.736 1.00 0.00 H new ATOM 0 HB ILE A 63 22.357 36.704 28.038 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.337 34.496 27.567 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.652 35.007 29.214 1.00 0.00 H new ATOM 0 HG21 ILE A 63 22.017 36.397 30.453 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.619 37.108 29.611 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.588 35.397 30.098 1.00 0.00 H new ATOM 0 HD11 ILE A 63 23.141 32.609 29.123 1.00 0.00 H new ATOM 0 HD12 ILE A 63 21.885 33.474 30.042 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.566 32.955 28.369 1.00 0.00 H new ATOM 1020 N LYS A 64 18.493 36.074 27.966 1.00 0.00 N ATOM 1021 CA LYS A 64 17.135 35.804 28.485 1.00 0.00 C ATOM 1022 C LYS A 64 16.246 35.004 27.525 1.00 0.00 C ATOM 1023 O LYS A 64 15.371 34.278 27.980 1.00 0.00 O ATOM 1024 CB LYS A 64 16.473 37.104 28.982 1.00 0.00 C ATOM 1025 CG LYS A 64 16.131 38.142 27.896 1.00 0.00 C ATOM 1026 CD LYS A 64 14.722 37.997 27.304 1.00 0.00 C ATOM 1027 CE LYS A 64 14.509 39.084 26.244 1.00 0.00 C ATOM 1028 NZ LYS A 64 13.144 39.031 25.659 1.00 0.00 N ATOM 0 H LYS A 64 18.672 37.062 27.784 1.00 0.00 H new ATOM 0 HA LYS A 64 17.254 35.143 29.343 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.556 36.843 29.510 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.137 37.572 29.709 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.233 39.141 28.320 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.861 38.061 27.090 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.601 37.009 26.859 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.973 38.087 28.090 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.674 40.064 26.692 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.248 38.967 25.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.042 39.782 24.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.995 38.105 25.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.439 39.168 26.411 1.00 0.00 H new ATOM 1042 N GLU A 65 16.489 35.053 26.214 1.00 0.00 N ATOM 1043 CA GLU A 65 15.790 34.189 25.243 1.00 0.00 C ATOM 1044 C GLU A 65 16.228 32.705 25.310 1.00 0.00 C ATOM 1045 O GLU A 65 15.600 31.856 24.673 1.00 0.00 O ATOM 1046 CB GLU A 65 15.884 34.770 23.818 1.00 0.00 C ATOM 1047 CG GLU A 65 17.320 34.965 23.317 1.00 0.00 C ATOM 1048 CD GLU A 65 17.444 35.080 21.788 1.00 0.00 C ATOM 1049 OE1 GLU A 65 16.558 35.668 21.124 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.462 34.584 21.238 1.00 0.00 O ATOM 0 H GLU A 65 17.169 35.685 25.791 1.00 0.00 H new ATOM 0 HA GLU A 65 14.738 34.184 25.530 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.357 34.107 23.131 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.368 35.730 23.793 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.733 35.865 23.773 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.929 34.127 23.658 1.00 0.00 H new ATOM 1057 N LYS A 66 17.273 32.370 26.089 1.00 0.00 N ATOM 1058 CA LYS A 66 17.673 30.989 26.433 1.00 0.00 C ATOM 1059 C LYS A 66 17.092 30.488 27.772 1.00 0.00 C ATOM 1060 O LYS A 66 17.403 29.368 28.170 1.00 0.00 O ATOM 1061 CB LYS A 66 19.212 30.867 26.458 1.00 0.00 C ATOM 1062 CG LYS A 66 19.956 31.304 25.186 1.00 0.00 C ATOM 1063 CD LYS A 66 19.567 30.494 23.933 1.00 0.00 C ATOM 1064 CE LYS A 66 18.805 31.341 22.907 1.00 0.00 C ATOM 1065 NZ LYS A 66 19.693 32.351 22.276 1.00 0.00 N ATOM 0 H LYS A 66 17.882 33.072 26.510 1.00 0.00 H new ATOM 0 HA LYS A 66 17.254 30.353 25.653 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.587 31.459 27.293 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.468 29.828 26.663 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.755 32.360 25.003 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.029 31.208 25.352 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.467 30.090 23.470 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.951 29.644 24.229 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.383 30.693 22.138 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.969 31.842 23.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.193 33.261 22.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.551 32.467 22.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.957 32.033 21.322 1.00 0.00 H new ATOM 1079 N ASP A 67 16.319 31.306 28.495 1.00 0.00 N ATOM 1080 CA ASP A 67 15.943 31.059 29.901 1.00 0.00 C ATOM 1081 C ASP A 67 15.046 29.818 30.149 1.00 0.00 C ATOM 1082 O ASP A 67 14.566 29.151 29.225 1.00 0.00 O ATOM 1083 CB ASP A 67 15.350 32.330 30.544 1.00 0.00 C ATOM 1084 CG ASP A 67 13.898 32.702 30.163 1.00 0.00 C ATOM 1085 OD1 ASP A 67 13.270 32.059 29.289 1.00 0.00 O ATOM 1086 OD2 ASP A 67 13.357 33.643 30.796 1.00 0.00 O ATOM 0 H ASP A 67 15.929 32.171 28.120 1.00 0.00 H new ATOM 0 HA ASP A 67 16.880 30.806 30.398 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.396 32.214 31.627 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.993 33.171 30.286 1.00 0.00 H new ATOM 1091 N GLY A 68 14.847 29.498 31.435 1.00 0.00 N ATOM 1092 CA GLY A 68 14.192 28.271 31.904 1.00 0.00 C ATOM 1093 C GLY A 68 15.207 27.136 32.061 1.00 0.00 C ATOM 1094 O GLY A 68 15.336 26.278 31.185 1.00 0.00 O ATOM 0 H GLY A 68 15.146 30.104 32.199 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.700 28.459 32.858 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.416 27.975 31.198 1.00 0.00 H new ATOM 1098 N CYS A 69 15.952 27.153 33.171 1.00 0.00 N ATOM 1099 CA CYS A 69 17.007 26.183 33.468 1.00 0.00 C ATOM 1100 C CYS A 69 16.469 24.743 33.608 1.00 0.00 C ATOM 1101 O CYS A 69 15.408 24.496 34.187 1.00 0.00 O ATOM 1102 CB CYS A 69 17.789 26.645 34.711 1.00 0.00 C ATOM 1103 SG CYS A 69 16.703 26.882 36.154 1.00 0.00 S ATOM 0 H CYS A 69 15.835 27.856 33.901 1.00 0.00 H new ATOM 0 HA CYS A 69 17.691 26.146 32.620 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.555 25.908 34.952 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.304 27.579 34.488 1.00 0.00 H new ATOM 0 HG CYS A 69 15.689 26.072 36.072 1.00 0.00 H new ATOM 1109 N ASP A 70 17.221 23.781 33.068 1.00 0.00 N ATOM 1110 CA ASP A 70 16.912 22.349 33.078 1.00 0.00 C ATOM 1111 C ASP A 70 17.718 21.603 34.153 1.00 0.00 C ATOM 1112 O ASP A 70 18.948 21.700 34.216 1.00 0.00 O ATOM 1113 CB ASP A 70 17.158 21.759 31.677 1.00 0.00 C ATOM 1114 CG ASP A 70 15.867 21.514 30.876 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.872 21.016 31.457 1.00 0.00 O ATOM 1116 OD2 ASP A 70 15.867 21.750 29.647 1.00 0.00 O ATOM 0 H ASP A 70 18.099 23.987 32.592 1.00 0.00 H new ATOM 0 HA ASP A 70 15.860 22.221 33.333 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.801 22.436 31.115 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.697 20.817 31.778 1.00 0.00 H new ATOM 1121 N PHE A 71 17.000 20.831 34.970 1.00 0.00 N ATOM 1122 CA PHE A 71 17.489 20.027 36.097 1.00 0.00 C ATOM 1123 C PHE A 71 16.598 18.780 36.290 1.00 0.00 C ATOM 1124 O PHE A 71 15.578 18.635 35.608 1.00 0.00 O ATOM 1125 CB PHE A 71 17.543 20.907 37.363 1.00 0.00 C ATOM 1126 CG PHE A 71 16.192 21.349 37.905 1.00 0.00 C ATOM 1127 CD1 PHE A 71 15.552 22.487 37.375 1.00 0.00 C ATOM 1128 CD2 PHE A 71 15.577 20.626 38.945 1.00 0.00 C ATOM 1129 CE1 PHE A 71 14.298 22.887 37.873 1.00 0.00 C ATOM 1130 CE2 PHE A 71 14.323 21.026 39.442 1.00 0.00 C ATOM 1131 CZ PHE A 71 13.684 22.156 38.905 1.00 0.00 C ATOM 0 H PHE A 71 15.990 20.743 34.856 1.00 0.00 H new ATOM 0 HA PHE A 71 18.498 19.669 35.892 1.00 0.00 H new ATOM 0 HB2 PHE A 71 18.068 20.358 38.145 1.00 0.00 H new ATOM 0 HB3 PHE A 71 18.136 21.795 37.144 1.00 0.00 H new ATOM 0 HD1 PHE A 71 16.024 23.053 36.586 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.070 19.761 39.363 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.807 23.757 37.462 1.00 0.00 H new ATOM 0 HE2 PHE A 71 13.852 20.465 40.236 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.721 22.463 39.285 1.00 0.00 H new ATOM 1141 N GLU A 72 16.964 17.884 37.216 1.00 0.00 N ATOM 1142 CA GLU A 72 16.261 16.621 37.527 1.00 0.00 C ATOM 1143 C GLU A 72 16.107 15.704 36.290 1.00 0.00 C ATOM 1144 O GLU A 72 15.079 15.682 35.609 1.00 0.00 O ATOM 1145 CB GLU A 72 14.945 16.900 38.283 1.00 0.00 C ATOM 1146 CG GLU A 72 14.292 15.618 38.830 1.00 0.00 C ATOM 1147 CD GLU A 72 12.977 15.895 39.585 1.00 0.00 C ATOM 1148 OE1 GLU A 72 12.907 16.853 40.396 1.00 0.00 O ATOM 1149 OE2 GLU A 72 11.997 15.131 39.397 1.00 0.00 O ATOM 0 H GLU A 72 17.792 18.020 37.796 1.00 0.00 H new ATOM 0 HA GLU A 72 16.885 16.042 38.207 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.143 17.583 39.109 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.246 17.402 37.614 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.095 14.935 38.004 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.991 15.116 39.499 1.00 0.00 H new ATOM 1156 N GLY A 73 17.175 14.963 35.971 1.00 0.00 N ATOM 1157 CA GLY A 73 17.292 14.126 34.765 1.00 0.00 C ATOM 1158 C GLY A 73 17.692 14.920 33.513 1.00 0.00 C ATOM 1159 O GLY A 73 18.596 14.506 32.787 1.00 0.00 O ATOM 0 H GLY A 73 18.007 14.926 36.560 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.031 13.345 34.943 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.340 13.628 34.583 1.00 0.00 H new ATOM 1163 N ASN A 74 17.091 16.096 33.302 1.00 0.00 N ATOM 1164 CA ASN A 74 17.573 17.095 32.340 1.00 0.00 C ATOM 1165 C ASN A 74 18.784 17.860 32.912 1.00 0.00 C ATOM 1166 O ASN A 74 18.921 17.989 34.130 1.00 0.00 O ATOM 1167 CB ASN A 74 16.444 18.070 31.959 1.00 0.00 C ATOM 1168 CG ASN A 74 15.193 17.458 31.342 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.088 16.273 31.056 1.00 0.00 O ATOM 1170 ND2 ASN A 74 14.202 18.279 31.087 1.00 0.00 N ATOM 0 H ASN A 74 16.248 16.385 33.799 1.00 0.00 H new ATOM 0 HA ASN A 74 17.893 16.575 31.437 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.149 18.617 32.855 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.847 18.801 31.258 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.348 17.929 30.652 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.285 19.268 31.324 1.00 0.00 H new ATOM 1177 N LYS A 75 19.655 18.389 32.040 1.00 0.00 N ATOM 1178 CA LYS A 75 20.841 19.190 32.404 1.00 0.00 C ATOM 1179 C LYS A 75 21.086 20.316 31.390 1.00 0.00 C ATOM 1180 O LYS A 75 21.595 20.067 30.297 1.00 0.00 O ATOM 1181 CB LYS A 75 22.087 18.283 32.531 1.00 0.00 C ATOM 1182 CG LYS A 75 22.241 17.623 33.915 1.00 0.00 C ATOM 1183 CD LYS A 75 21.647 16.210 34.009 1.00 0.00 C ATOM 1184 CE LYS A 75 21.194 15.871 35.438 1.00 0.00 C ATOM 1185 NZ LYS A 75 22.330 15.810 36.400 1.00 0.00 N ATOM 0 H LYS A 75 19.554 18.270 31.032 1.00 0.00 H new ATOM 0 HA LYS A 75 20.651 19.654 33.372 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.035 17.503 31.771 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.978 18.875 32.320 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.300 17.577 34.167 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.763 18.256 34.662 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.798 16.127 33.330 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.389 15.482 33.681 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.477 16.620 35.775 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.675 14.912 35.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.970 15.578 37.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.003 15.077 36.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.811 16.732 36.428 1.00 0.00 H new ATOM 1199 N LEU A 76 20.714 21.548 31.757 1.00 0.00 N ATOM 1200 CA LEU A 76 21.028 22.785 31.020 1.00 0.00 C ATOM 1201 C LEU A 76 20.757 24.012 31.918 1.00 0.00 C ATOM 1202 O LEU A 76 19.685 24.624 31.864 1.00 0.00 O ATOM 1203 CB LEU A 76 20.229 22.826 29.684 1.00 0.00 C ATOM 1204 CG LEU A 76 21.133 23.030 28.458 1.00 0.00 C ATOM 1205 CD1 LEU A 76 20.326 22.845 27.172 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.765 24.424 28.435 1.00 0.00 C ATOM 0 H LEU A 76 20.169 21.721 32.602 1.00 0.00 H new ATOM 0 HA LEU A 76 22.086 22.807 30.758 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.673 21.896 29.569 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.496 23.632 29.728 1.00 0.00 H new ATOM 0 HG LEU A 76 21.928 22.287 28.524 1.00 0.00 H new ATOM 0 HD11 LEU A 76 20.977 22.992 26.310 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.910 21.838 27.145 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.516 23.573 27.143 1.00 0.00 H new ATOM 0 HD21 LEU A 76 22.395 24.523 27.551 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.980 25.179 28.407 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.371 24.564 29.330 1.00 0.00 H new ATOM 1218 N ARG A 77 21.703 24.362 32.797 1.00 0.00 N ATOM 1219 CA ARG A 77 21.586 25.531 33.687 1.00 0.00 C ATOM 1220 C ARG A 77 22.082 26.806 32.996 1.00 0.00 C ATOM 1221 O ARG A 77 23.164 26.824 32.411 1.00 0.00 O ATOM 1222 CB ARG A 77 22.291 25.245 35.028 1.00 0.00 C ATOM 1223 CG ARG A 77 22.221 26.440 35.992 1.00 0.00 C ATOM 1224 CD ARG A 77 22.637 26.069 37.422 1.00 0.00 C ATOM 1225 NE ARG A 77 21.556 25.346 38.127 1.00 0.00 N ATOM 1226 CZ ARG A 77 21.176 25.514 39.383 1.00 0.00 C ATOM 1227 NH1 ARG A 77 21.810 26.308 40.192 1.00 0.00 N ATOM 1228 NH2 ARG A 77 20.143 24.875 39.852 1.00 0.00 N ATOM 0 H ARG A 77 22.574 23.844 32.914 1.00 0.00 H new ATOM 0 HA ARG A 77 20.535 25.710 33.913 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.833 24.375 35.498 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.335 24.993 34.840 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.867 27.237 35.625 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.205 26.834 36.004 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.533 25.449 37.393 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.893 26.973 37.974 1.00 0.00 H new ATOM 0 HE ARG A 77 21.050 24.644 37.588 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.627 26.824 39.864 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.491 26.416 41.155 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.620 24.239 39.250 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.857 25.010 40.822 1.00 0.00 H new ATOM 1242 N VAL A 78 21.310 27.886 33.109 1.00 0.00 N ATOM 1243 CA VAL A 78 21.597 29.203 32.514 1.00 0.00 C ATOM 1244 C VAL A 78 21.260 30.320 33.505 1.00 0.00 C ATOM 1245 O VAL A 78 20.136 30.418 33.999 1.00 0.00 O ATOM 1246 CB VAL A 78 20.861 29.408 31.170 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.531 28.612 30.046 1.00 0.00 C ATOM 1248 CG2 VAL A 78 19.371 29.026 31.200 1.00 0.00 C ATOM 0 H VAL A 78 20.436 27.874 33.634 1.00 0.00 H new ATOM 0 HA VAL A 78 22.664 29.241 32.296 1.00 0.00 H new ATOM 0 HB VAL A 78 20.926 30.480 30.985 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.992 28.776 29.113 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.563 28.943 29.931 1.00 0.00 H new ATOM 0 HG13 VAL A 78 21.515 27.550 30.293 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.931 29.200 30.218 1.00 0.00 H new ATOM 0 HG22 VAL A 78 19.271 27.972 31.461 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.854 29.634 31.942 1.00 0.00 H new ATOM 1258 N GLU A 79 22.249 31.159 33.814 1.00 0.00 N ATOM 1259 CA GLU A 79 22.157 32.306 34.729 1.00 0.00 C ATOM 1260 C GLU A 79 23.359 33.240 34.492 1.00 0.00 C ATOM 1261 O GLU A 79 24.421 32.777 34.074 1.00 0.00 O ATOM 1262 CB GLU A 79 22.112 31.806 36.189 1.00 0.00 C ATOM 1263 CG GLU A 79 21.864 32.930 37.204 1.00 0.00 C ATOM 1264 CD GLU A 79 21.611 32.379 38.615 1.00 0.00 C ATOM 1265 OE1 GLU A 79 20.613 31.649 38.830 1.00 0.00 O ATOM 1266 OE2 GLU A 79 22.411 32.693 39.528 1.00 0.00 O ATOM 0 H GLU A 79 23.182 31.056 33.416 1.00 0.00 H new ATOM 0 HA GLU A 79 21.242 32.866 34.538 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.326 31.057 36.286 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.054 31.312 36.426 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.725 33.598 37.224 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.007 33.524 36.887 1.00 0.00 H new ATOM 1273 N VAL A 80 23.232 34.542 34.776 1.00 0.00 N ATOM 1274 CA VAL A 80 24.354 35.498 34.681 1.00 0.00 C ATOM 1275 C VAL A 80 24.499 36.337 35.960 1.00 0.00 C ATOM 1276 O VAL A 80 23.496 36.835 36.481 1.00 0.00 O ATOM 1277 CB VAL A 80 24.279 36.373 33.413 1.00 0.00 C ATOM 1278 CG1 VAL A 80 24.300 35.517 32.142 1.00 0.00 C ATOM 1279 CG2 VAL A 80 23.057 37.297 33.360 1.00 0.00 C ATOM 0 H VAL A 80 22.355 34.966 35.077 1.00 0.00 H new ATOM 0 HA VAL A 80 25.263 34.904 34.586 1.00 0.00 H new ATOM 0 HB VAL A 80 25.166 37.004 33.464 1.00 0.00 H new ATOM 0 HG11 VAL A 80 24.246 36.164 31.267 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.223 34.938 32.109 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.446 34.839 32.146 1.00 0.00 H new ATOM 0 HG21 VAL A 80 23.079 37.877 32.438 1.00 0.00 H new ATOM 0 HG22 VAL A 80 22.147 36.698 33.390 1.00 0.00 H new ATOM 0 HG23 VAL A 80 23.075 37.973 34.215 1.00 0.00 H new ATOM 1289 N PRO A 81 25.729 36.537 36.482 1.00 0.00 N ATOM 1290 CA PRO A 81 25.973 37.341 37.685 1.00 0.00 C ATOM 1291 C PRO A 81 25.708 38.843 37.476 1.00 0.00 C ATOM 1292 O PRO A 81 25.451 39.564 38.442 1.00 0.00 O ATOM 1293 CB PRO A 81 27.440 37.070 38.050 1.00 0.00 C ATOM 1294 CG PRO A 81 28.093 36.747 36.706 1.00 0.00 C ATOM 1295 CD PRO A 81 26.985 35.989 35.983 1.00 0.00 C ATOM 0 HA PRO A 81 25.287 37.061 38.484 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.902 37.937 38.522 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.532 36.239 38.750 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.387 37.649 36.169 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.991 36.140 36.825 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.065 36.118 34.904 1.00 0.00 H new ATOM 0 HD3 PRO A 81 27.050 34.919 36.182 1.00 0.00 H new ATOM 1303 N PHE A 82 25.739 39.327 36.227 1.00 0.00 N ATOM 1304 CA PHE A 82 25.503 40.729 35.860 1.00 0.00 C ATOM 1305 C PHE A 82 24.016 41.132 35.750 1.00 0.00 C ATOM 1306 O PHE A 82 23.712 42.227 35.274 1.00 0.00 O ATOM 1307 CB PHE A 82 26.309 41.067 34.595 1.00 0.00 C ATOM 1308 CG PHE A 82 25.967 40.285 33.334 1.00 0.00 C ATOM 1309 CD1 PHE A 82 24.807 40.578 32.588 1.00 0.00 C ATOM 1310 CD2 PHE A 82 26.854 39.299 32.863 1.00 0.00 C ATOM 1311 CE1 PHE A 82 24.546 39.900 31.385 1.00 0.00 C ATOM 1312 CE2 PHE A 82 26.598 38.629 31.653 1.00 0.00 C ATOM 1313 CZ PHE A 82 25.443 38.930 30.913 1.00 0.00 C ATOM 0 H PHE A 82 25.935 38.735 35.420 1.00 0.00 H new ATOM 0 HA PHE A 82 25.861 41.339 36.689 1.00 0.00 H new ATOM 0 HB2 PHE A 82 26.179 42.128 34.383 1.00 0.00 H new ATOM 0 HB3 PHE A 82 27.366 40.913 34.814 1.00 0.00 H new ATOM 0 HD1 PHE A 82 24.115 41.328 32.943 1.00 0.00 H new ATOM 0 HD2 PHE A 82 27.737 39.055 33.435 1.00 0.00 H new ATOM 0 HE1 PHE A 82 23.652 40.126 30.822 1.00 0.00 H new ATOM 0 HE2 PHE A 82 27.290 37.882 31.293 1.00 0.00 H new ATOM 0 HZ PHE A 82 25.246 38.416 29.984 1.00 0.00 H new ATOM 1323 N ASN A 83 23.073 40.282 36.185 1.00 0.00 N ATOM 1324 CA ASN A 83 21.619 40.509 36.140 1.00 0.00 C ATOM 1325 C ASN A 83 21.119 41.565 37.169 1.00 0.00 C ATOM 1326 O ASN A 83 20.258 41.290 38.010 1.00 0.00 O ATOM 1327 CB ASN A 83 20.914 39.142 36.272 1.00 0.00 C ATOM 1328 CG ASN A 83 19.420 39.209 35.992 1.00 0.00 C ATOM 1329 OD1 ASN A 83 18.929 40.035 35.237 1.00 0.00 O ATOM 1330 ND2 ASN A 83 18.643 38.322 36.580 1.00 0.00 N ATOM 0 H ASN A 83 23.312 39.379 36.595 1.00 0.00 H new ATOM 0 HA ASN A 83 21.360 40.956 35.180 1.00 0.00 H new ATOM 0 HB2 ASN A 83 21.375 38.435 35.583 1.00 0.00 H new ATOM 0 HB3 ASN A 83 21.072 38.755 37.279 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.638 38.328 36.404 1.00 0.00 H new ATOM 0 HD22 ASN A 83 19.046 37.630 37.211 1.00 0.00 H new ATOM 1337 N ALA A 84 21.689 42.771 37.115 1.00 0.00 N ATOM 1338 CA ALA A 84 21.430 43.910 38.007 1.00 0.00 C ATOM 1339 C ALA A 84 21.686 45.259 37.287 1.00 0.00 C ATOM 1340 O ALA A 84 22.232 46.200 37.872 1.00 0.00 O ATOM 1341 CB ALA A 84 22.280 43.728 39.278 1.00 0.00 C ATOM 0 H ALA A 84 22.386 42.995 36.405 1.00 0.00 H new ATOM 0 HA ALA A 84 20.379 43.937 38.296 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.104 44.563 39.956 1.00 0.00 H new ATOM 0 HB2 ALA A 84 22.003 42.796 39.771 1.00 0.00 H new ATOM 0 HB3 ALA A 84 23.336 43.696 39.008 1.00 0.00 H new ATOM 1347 N ARG A 85 21.346 45.335 35.990 1.00 0.00 N ATOM 1348 CA ARG A 85 21.776 46.388 35.042 1.00 0.00 C ATOM 1349 C ARG A 85 20.613 47.173 34.400 1.00 0.00 C ATOM 1350 O ARG A 85 20.721 47.664 33.272 1.00 0.00 O ATOM 1351 CB ARG A 85 22.753 45.760 34.023 1.00 0.00 C ATOM 1352 CG ARG A 85 23.855 46.725 33.556 1.00 0.00 C ATOM 1353 CD ARG A 85 24.936 46.910 34.633 1.00 0.00 C ATOM 1354 NE ARG A 85 26.022 47.795 34.166 1.00 0.00 N ATOM 1355 CZ ARG A 85 27.111 48.119 34.842 1.00 0.00 C ATOM 1356 NH1 ARG A 85 27.346 47.661 36.040 1.00 0.00 N ATOM 1357 NH2 ARG A 85 27.997 48.915 34.320 1.00 0.00 N ATOM 0 H ARG A 85 20.741 44.640 35.552 1.00 0.00 H new ATOM 0 HA ARG A 85 22.301 47.165 35.597 1.00 0.00 H new ATOM 0 HB2 ARG A 85 23.217 44.881 34.470 1.00 0.00 H new ATOM 0 HB3 ARG A 85 22.190 45.417 33.155 1.00 0.00 H new ATOM 0 HG2 ARG A 85 24.311 46.343 32.643 1.00 0.00 H new ATOM 0 HG3 ARG A 85 23.414 47.691 33.312 1.00 0.00 H new ATOM 0 HD2 ARG A 85 24.486 47.329 35.533 1.00 0.00 H new ATOM 0 HD3 ARG A 85 25.349 45.939 34.906 1.00 0.00 H new ATOM 0 HE ARG A 85 25.922 48.194 33.233 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.679 47.031 36.485 1.00 0.00 H new ATOM 0 HH12 ARG A 85 28.197 47.933 36.532 1.00 0.00 H new ATOM 0 HH21 ARG A 85 27.854 49.293 33.384 1.00 0.00 H new ATOM 0 HH22 ARG A 85 28.835 49.161 34.847 1.00 0.00 H new ATOM 1371 N GLU A 86 19.499 47.282 35.125 1.00 0.00 N ATOM 1372 CA GLU A 86 18.269 48.018 34.759 1.00 0.00 C ATOM 1373 C GLU A 86 17.918 49.161 35.735 1.00 0.00 C ATOM 1374 O GLU A 86 18.316 49.103 36.922 1.00 0.00 O ATOM 1375 CB GLU A 86 17.102 47.028 34.568 1.00 0.00 C ATOM 1376 CG GLU A 86 16.635 46.323 35.857 1.00 0.00 C ATOM 1377 CD GLU A 86 15.378 45.451 35.636 1.00 0.00 C ATOM 1378 OE1 GLU A 86 15.297 44.694 34.634 1.00 0.00 O ATOM 1379 OE2 GLU A 86 14.445 45.501 36.481 1.00 0.00 O ATOM 1380 OXT GLU A 86 17.257 50.129 35.293 1.00 0.00 O ATOM 0 H GLU A 86 19.417 46.836 36.039 1.00 0.00 H new ATOM 0 HA GLU A 86 18.461 48.519 33.810 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.256 47.564 34.137 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.402 46.270 33.844 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.443 45.699 36.238 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.423 47.072 36.620 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.225 23.817 41.398 1.00 0.00 O ATOM 1389 C5' A B 101 24.353 24.022 40.551 1.00 0.00 C ATOM 1390 C4' A B 101 25.252 25.186 41.008 1.00 0.00 C ATOM 1391 O4' A B 101 24.615 26.455 40.913 1.00 0.00 O ATOM 1392 C3' A B 101 25.736 25.039 42.475 1.00 0.00 C ATOM 1393 O3' A B 101 26.988 24.401 42.748 1.00 0.00 O ATOM 1394 C2' A B 101 25.663 26.479 43.030 1.00 0.00 C ATOM 1395 O2' A B 101 26.862 26.982 43.621 1.00 0.00 O ATOM 1396 C1' A B 101 25.317 27.310 41.798 1.00 0.00 C ATOM 1397 N9 A B 101 24.564 28.542 42.155 1.00 0.00 N ATOM 1398 C8 A B 101 25.011 29.840 42.083 1.00 0.00 C ATOM 1399 N7 A B 101 24.131 30.740 42.432 1.00 0.00 N ATOM 1400 C5 A B 101 23.006 29.972 42.767 1.00 0.00 C ATOM 1401 C6 A B 101 21.696 30.266 43.225 1.00 0.00 C ATOM 1402 N6 A B 101 21.213 31.479 43.425 1.00 0.00 N ATOM 1403 N1 A B 101 20.825 29.299 43.513 1.00 0.00 N ATOM 1404 C2 A B 101 21.220 28.045 43.338 1.00 0.00 C ATOM 1405 N3 A B 101 22.396 27.608 42.893 1.00 0.00 N ATOM 1406 C4 A B 101 23.263 28.631 42.621 1.00 0.00 C ATOM 0 H5' A B 101 24.006 24.216 39.536 1.00 0.00 H new ATOM 0 H5'' A B 101 24.944 23.107 40.516 1.00 0.00 H new ATOM 0 H4' A B 101 26.099 25.138 40.323 1.00 0.00 H new ATOM 0 H3' A B 101 25.091 24.312 42.970 1.00 0.00 H new ATOM 0 H2' A B 101 24.945 26.517 43.849 1.00 0.00 H new ATOM 0 HO2' A B 101 27.544 26.279 43.626 1.00 0.00 H new ATOM 0 HO5' A B 101 22.692 23.068 41.058 1.00 0.00 H new ATOM 0 H1' A B 101 26.217 27.681 41.307 1.00 0.00 H new ATOM 0 H8 A B 101 26.010 30.095 41.763 1.00 0.00 H new ATOM 0 H61 A B 101 20.256 31.599 43.757 1.00 0.00 H new ATOM 0 H62 A B 101 21.797 32.296 43.248 1.00 0.00 H new ATOM 0 H2 A B 101 20.497 27.283 43.588 1.00 0.00 H new ATOM 1419 P C B 102 28.153 24.146 41.668 1.00 0.00 P ATOM 1420 OP1 C B 102 27.615 23.216 40.646 1.00 0.00 O ATOM 1421 OP2 C B 102 29.361 23.741 42.422 1.00 0.00 O ATOM 1422 O5' C B 102 28.461 25.567 40.964 1.00 0.00 O ATOM 1423 C5' C B 102 29.162 25.593 39.730 1.00 0.00 C ATOM 1424 C4' C B 102 29.585 26.996 39.274 1.00 0.00 C ATOM 1425 O4' C B 102 28.500 27.810 38.839 1.00 0.00 O ATOM 1426 C3' C B 102 30.345 27.801 40.344 1.00 0.00 C ATOM 1427 O3' C B 102 31.591 28.181 39.773 1.00 0.00 O ATOM 1428 C2' C B 102 29.403 29.005 40.534 1.00 0.00 C ATOM 1429 O2' C B 102 30.020 30.167 41.083 1.00 0.00 O ATOM 1430 C1' C B 102 28.890 29.150 39.101 1.00 0.00 C ATOM 1431 N1 C B 102 27.802 30.159 38.942 1.00 0.00 N ATOM 1432 C2 C B 102 28.153 31.487 38.642 1.00 0.00 C ATOM 1433 O2 C B 102 29.319 31.818 38.422 1.00 0.00 O ATOM 1434 N3 C B 102 27.208 32.457 38.601 1.00 0.00 N ATOM 1435 C4 C B 102 25.953 32.118 38.794 1.00 0.00 C ATOM 1436 N4 C B 102 25.104 33.107 38.805 1.00 0.00 N ATOM 1437 C5 C B 102 25.522 30.782 39.015 1.00 0.00 C ATOM 1438 C6 C B 102 26.478 29.821 39.071 1.00 0.00 C ATOM 0 H5' C B 102 28.534 25.147 38.959 1.00 0.00 H new ATOM 0 H5'' C B 102 30.051 24.968 39.817 1.00 0.00 H new ATOM 0 H4' C B 102 30.248 26.776 38.437 1.00 0.00 H new ATOM 0 H3' C B 102 30.566 27.294 41.283 1.00 0.00 H new ATOM 0 H2' C B 102 28.621 28.863 41.280 1.00 0.00 H new ATOM 0 HO2' C B 102 29.731 30.958 40.582 1.00 0.00 H new ATOM 0 H1' C B 102 29.620 29.546 38.395 1.00 0.00 H new ATOM 0 H41 C B 102 24.111 32.925 38.949 1.00 0.00 H new ATOM 0 H42 C B 102 25.433 34.063 38.669 1.00 0.00 H new ATOM 0 H5 C B 102 24.476 30.541 39.134 1.00 0.00 H new ATOM 0 H6 C B 102 26.197 28.789 39.217 1.00 0.00 H new ATOM 1450 P A B 103 32.951 27.408 40.110 1.00 0.00 P ATOM 1451 OP1 A B 103 33.673 27.205 38.831 1.00 0.00 O ATOM 1452 OP2 A B 103 32.675 26.231 40.968 1.00 0.00 O ATOM 1453 O5' A B 103 33.681 28.526 41.020 1.00 0.00 O ATOM 1454 C5' A B 103 35.061 28.869 40.933 1.00 0.00 C ATOM 1455 C4' A B 103 35.525 29.377 39.555 1.00 0.00 C ATOM 1456 O4' A B 103 34.553 30.181 38.885 1.00 0.00 O ATOM 1457 C3' A B 103 36.815 30.206 39.654 1.00 0.00 C ATOM 1458 O3' A B 103 37.630 29.954 38.517 1.00 0.00 O ATOM 1459 C2' A B 103 36.226 31.629 39.631 1.00 0.00 C ATOM 1460 O2' A B 103 37.163 32.656 39.312 1.00 0.00 O ATOM 1461 C1' A B 103 35.149 31.426 38.565 1.00 0.00 C ATOM 1462 N9 A B 103 34.131 32.498 38.496 1.00 0.00 N ATOM 1463 C8 A B 103 33.804 33.254 37.399 1.00 0.00 C ATOM 1464 N7 A B 103 32.815 34.088 37.590 1.00 0.00 N ATOM 1465 C5 A B 103 32.431 33.826 38.916 1.00 0.00 C ATOM 1466 C6 A B 103 31.430 34.330 39.785 1.00 0.00 C ATOM 1467 N6 A B 103 30.553 35.265 39.469 1.00 0.00 N ATOM 1468 N1 A B 103 31.334 33.921 41.049 1.00 0.00 N ATOM 1469 C2 A B 103 32.197 33.000 41.461 1.00 0.00 C ATOM 1470 N3 A B 103 33.186 32.435 40.775 1.00 0.00 N ATOM 1471 C4 A B 103 33.243 32.880 39.485 1.00 0.00 C ATOM 0 H5' A B 103 35.654 27.994 41.198 1.00 0.00 H new ATOM 0 H5'' A B 103 35.276 29.637 41.677 1.00 0.00 H new ATOM 0 H4' A B 103 35.692 28.467 38.978 1.00 0.00 H new ATOM 0 H3' A B 103 37.451 30.003 40.516 1.00 0.00 H new ATOM 0 H2' A B 103 35.869 31.988 40.596 1.00 0.00 H new ATOM 0 HO2' A B 103 37.867 32.290 38.737 1.00 0.00 H new ATOM 0 H1' A B 103 35.605 31.450 37.575 1.00 0.00 H new ATOM 0 H8 A B 103 34.321 33.167 36.455 1.00 0.00 H new ATOM 0 H61 A B 103 29.864 35.571 40.156 1.00 0.00 H new ATOM 0 H62 A B 103 30.564 35.681 38.538 1.00 0.00 H new ATOM 0 H2 A B 103 32.081 32.668 42.482 1.00 0.00 H new ATOM 1483 P U B 104 38.588 28.680 38.439 1.00 0.00 P ATOM 1484 OP1 U B 104 37.756 27.499 38.098 1.00 0.00 O ATOM 1485 OP2 U B 104 39.441 28.653 39.650 1.00 0.00 O ATOM 1486 O5' U B 104 39.477 29.116 37.176 1.00 0.00 O ATOM 1487 C5' U B 104 39.557 28.355 35.980 1.00 0.00 C ATOM 1488 C4' U B 104 39.617 29.234 34.725 1.00 0.00 C ATOM 1489 O4' U B 104 38.371 29.833 34.387 1.00 0.00 O ATOM 1490 C3' U B 104 40.583 30.413 34.835 1.00 0.00 C ATOM 1491 O3' U B 104 41.931 29.970 34.790 1.00 0.00 O ATOM 1492 C2' U B 104 40.126 31.299 33.664 1.00 0.00 C ATOM 1493 O2' U B 104 40.875 31.072 32.475 1.00 0.00 O ATOM 1494 C1' U B 104 38.677 30.831 33.418 1.00 0.00 C ATOM 1495 N1 U B 104 37.672 31.934 33.354 1.00 0.00 N ATOM 1496 C2 U B 104 37.555 32.848 34.414 1.00 0.00 C ATOM 1497 O2 U B 104 38.172 32.769 35.476 1.00 0.00 O ATOM 1498 N3 U B 104 36.692 33.913 34.231 1.00 0.00 N ATOM 1499 C4 U B 104 35.920 34.144 33.118 1.00 0.00 C ATOM 1500 O4 U B 104 35.193 35.129 33.066 1.00 0.00 O ATOM 1501 C5 U B 104 36.046 33.136 32.091 1.00 0.00 C ATOM 1502 C6 U B 104 36.877 32.068 32.233 1.00 0.00 C ATOM 0 H5' U B 104 38.692 27.694 35.915 1.00 0.00 H new ATOM 0 H5'' U B 104 40.442 27.719 36.017 1.00 0.00 H new ATOM 0 H4' U B 104 39.943 28.518 33.970 1.00 0.00 H new ATOM 0 H3' U B 104 40.561 30.964 35.775 1.00 0.00 H new ATOM 0 H2' U B 104 40.244 32.356 33.901 1.00 0.00 H new ATOM 0 HO2' U B 104 40.776 30.137 32.200 1.00 0.00 H new ATOM 0 H1' U B 104 38.612 30.403 32.418 1.00 0.00 H new ATOM 0 H3 U B 104 36.622 34.589 34.992 1.00 0.00 H new ATOM 0 H5 U B 104 35.465 33.233 31.186 1.00 0.00 H new ATOM 0 H6 U B 104 36.915 31.316 31.459 1.00 0.00 H new ATOM 1513 P C B 105 43.155 30.956 35.069 1.00 0.00 P ATOM 1514 OP1 C B 105 44.198 30.193 35.777 1.00 0.00 O ATOM 1515 OP2 C B 105 42.652 32.212 35.672 1.00 0.00 O ATOM 1516 O5' C B 105 43.654 31.304 33.577 1.00 0.00 O ATOM 1517 C5' C B 105 44.147 30.325 32.661 1.00 0.00 C ATOM 1518 C4' C B 105 45.682 30.203 32.573 1.00 0.00 C ATOM 1519 O4' C B 105 46.295 31.489 32.618 1.00 0.00 O ATOM 1520 C3' C B 105 46.323 29.319 33.655 1.00 0.00 C ATOM 1521 O3' C B 105 47.075 28.282 33.038 1.00 0.00 O ATOM 1522 C2' C B 105 47.192 30.295 34.461 1.00 0.00 C ATOM 1523 O2' C B 105 48.418 29.742 34.944 1.00 0.00 O ATOM 1524 C1' C B 105 47.419 31.452 33.489 1.00 0.00 C ATOM 1525 N1 C B 105 47.557 32.728 34.248 1.00 0.00 N ATOM 1526 C2 C B 105 48.834 33.261 34.478 1.00 0.00 C ATOM 1527 O2 C B 105 49.842 32.774 33.958 1.00 0.00 O ATOM 1528 N3 C B 105 48.998 34.334 35.292 1.00 0.00 N ATOM 1529 C4 C B 105 47.930 34.869 35.851 1.00 0.00 C ATOM 1530 N4 C B 105 48.152 35.882 36.644 1.00 0.00 N ATOM 1531 C5 C B 105 46.608 34.398 35.635 1.00 0.00 C ATOM 1532 C6 C B 105 46.457 33.321 34.822 1.00 0.00 C ATOM 0 H5' C B 105 43.762 30.557 31.668 1.00 0.00 H new ATOM 0 H5'' C B 105 43.739 29.354 32.942 1.00 0.00 H new ATOM 0 H4' C B 105 45.861 29.712 31.616 1.00 0.00 H new ATOM 0 H3' C B 105 45.608 28.811 34.302 1.00 0.00 H new ATOM 0 H2' C B 105 46.697 30.593 35.385 1.00 0.00 H new ATOM 0 HO2' C B 105 48.656 28.956 34.409 1.00 0.00 H new ATOM 0 H1' C B 105 48.334 31.317 32.913 1.00 0.00 H new ATOM 0 H41 C B 105 47.372 36.345 37.111 1.00 0.00 H new ATOM 0 H42 C B 105 49.105 36.211 36.797 1.00 0.00 H new ATOM 0 H5 C B 105 45.758 34.877 36.098 1.00 0.00 H new ATOM 0 H6 C B 105 45.470 32.929 34.626 1.00 0.00 H new ATOM 1544 P A B 106 46.488 26.795 33.003 1.00 0.00 P ATOM 1545 OP1 A B 106 47.419 25.947 32.219 1.00 0.00 O ATOM 1546 OP2 A B 106 45.063 26.864 32.607 1.00 0.00 O ATOM 1547 O5' A B 106 46.574 26.350 34.545 1.00 0.00 O ATOM 1548 C5' A B 106 45.910 25.185 35.019 1.00 0.00 C ATOM 1549 C4' A B 106 44.894 25.500 36.127 1.00 0.00 C ATOM 1550 O4' A B 106 45.518 25.898 37.342 1.00 0.00 O ATOM 1551 C3' A B 106 43.911 26.628 35.798 1.00 0.00 C ATOM 1552 O3' A B 106 42.903 26.262 34.858 1.00 0.00 O ATOM 1553 C2' A B 106 43.359 26.929 37.196 1.00 0.00 C ATOM 1554 O2' A B 106 42.318 26.024 37.556 1.00 0.00 O ATOM 1555 C1' A B 106 44.575 26.656 38.097 1.00 0.00 C ATOM 1556 N9 A B 106 45.221 27.903 38.579 1.00 0.00 N ATOM 1557 C8 A B 106 45.975 28.819 37.880 1.00 0.00 C ATOM 1558 N7 A B 106 46.430 29.810 38.608 1.00 0.00 N ATOM 1559 C5 A B 106 45.920 29.527 39.887 1.00 0.00 C ATOM 1560 C6 A B 106 45.989 30.153 41.159 1.00 0.00 C ATOM 1561 N6 A B 106 46.620 31.281 41.427 1.00 0.00 N ATOM 1562 N1 A B 106 45.392 29.620 42.226 1.00 0.00 N ATOM 1563 C2 A B 106 44.725 28.483 42.061 1.00 0.00 C ATOM 1564 N3 A B 106 44.567 27.783 40.939 1.00 0.00 N ATOM 1565 C4 A B 106 45.191 28.367 39.876 1.00 0.00 C ATOM 0 H5' A B 106 46.648 24.478 35.397 1.00 0.00 H new ATOM 0 H5'' A B 106 45.399 24.698 34.189 1.00 0.00 H new ATOM 0 H4' A B 106 44.360 24.555 36.223 1.00 0.00 H new ATOM 0 H3' A B 106 44.367 27.482 35.297 1.00 0.00 H new ATOM 0 H2' A B 106 42.940 27.933 37.269 1.00 0.00 H new ATOM 0 HO2' A B 106 41.942 25.619 36.747 1.00 0.00 H new ATOM 0 HO3' A B 106 43.260 26.340 33.949 1.00 0.00 H new ATOM 0 H1' A B 106 44.234 26.114 38.979 1.00 0.00 H new ATOM 0 H8 A B 106 46.175 28.729 36.822 1.00 0.00 H new ATOM 0 H61 A B 106 46.614 31.656 42.376 1.00 0.00 H new ATOM 0 H62 A B 106 47.113 31.778 40.685 1.00 0.00 H new ATOM 0 H2 A B 106 44.254 28.077 42.944 1.00 0.00 H new TER 1578 A B 106