USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 804 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: B 16 ASN : amide:sc= -3.2! K(o=-2.2!,f=-6) USER MOD Set 1.2: B 77 LYS NZ :NH3+ 160:sc= 1.03 (180deg=-0.112) USER MOD Set 2.1: B 17 THR OG1 : rot -50:sc= 2.23 USER MOD Set 2.2: B 47 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0) USER MOD Single : A 96 A O2' : rot -74:sc= 0.346 USER MOD Single : A 96 A O5' : rot -95:sc= 0.00929 USER MOD Single : A 97 U O2' : rot 18:sc= 0.36 USER MOD Single : A 98 C O2' : rot 25:sc= 0.109 USER MOD Single : A 99 A O2' : rot 143:sc= 0.0228 USER MOD Single : A 100 A O2' : rot -89:sc= 0.286 USER MOD Single : A 101 A O2' : rot 180:sc= 0 USER MOD Single : A 101 A O3' : rot 132:sc= 0.158 USER MOD Single : B 1 MET CE :methyl -162:sc= 0 (180deg=-0.326) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 167:sc= 2.01 (180deg=1.53) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc=-0.00899 X(o=-0.009,f=-0.009) USER MOD Single : B 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0251) USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00478) USER MOD Single : B 31 TYR OH : rot 150:sc= -0.861 USER MOD Single : B 40 MET CE :methyl -122:sc= -0.612 (180deg=-3.1!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 180:sc= -0.328 USER MOD Single : B 46 ASN : amide:sc= -0.097 K(o=-0.097,f=-2.2!) USER MOD Single : B 48 SER OG : rot 35:sc= 0.542 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0.0198 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -146:sc= -2.04! (180deg=-3.11!) USER MOD Single : B 70 ASN : amide:sc= 0.413 K(o=0.41,f=-3.7!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.025 USER MOD Single : B 80 LYS NZ :NH3+ 165:sc= -0.0153 (180deg=-0.246) USER MOD Single : B 83 GLN : amide:sc= -0.0377 K(o=-0.038,f=-0.6) USER MOD Single : B 85 THR OG1 : rot -64:sc= 0.167 USER MOD Single : B 86 LYS NZ :NH3+ 177:sc= 0.885 (180deg=0.875) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 91 SER OG : rot -43:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 N MET B 1 0.189 3.897 0.706 1.00 0.00 N ATOM 2 CA MET B 1 -0.120 4.245 -0.691 1.00 0.00 C ATOM 3 C MET B 1 0.212 3.087 -1.619 1.00 0.00 C ATOM 4 O MET B 1 1.378 2.850 -1.930 1.00 0.00 O ATOM 5 CB MET B 1 0.618 5.519 -1.106 1.00 0.00 C ATOM 6 CG MET B 1 0.161 5.971 -2.493 1.00 0.00 C ATOM 7 SD MET B 1 -1.612 6.337 -2.588 1.00 0.00 S ATOM 8 CE MET B 1 -1.735 6.777 -4.339 1.00 0.00 C ATOM 0 H1 MET B 1 -0.045 4.700 1.324 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.371 3.068 0.989 1.00 0.00 H new ATOM 0 H3 MET B 1 1.202 3.676 0.793 1.00 0.00 H new ATOM 0 HA MET B 1 -1.190 4.439 -0.770 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.430 6.309 -0.379 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.693 5.339 -1.111 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.723 6.860 -2.780 1.00 0.00 H new ATOM 0 HG3 MET B 1 0.402 5.193 -3.218 1.00 0.00 H new ATOM 0 HE1 MET B 1 -2.659 7.329 -4.511 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.884 7.398 -4.619 1.00 0.00 H new ATOM 0 HE3 MET B 1 -1.737 5.870 -4.943 1.00 0.00 H new ATOM 20 N VAL B 2 -0.819 2.362 -2.058 1.00 0.00 N ATOM 21 CA VAL B 2 -0.664 1.304 -3.040 1.00 0.00 C ATOM 22 C VAL B 2 -0.946 1.913 -4.405 1.00 0.00 C ATOM 23 O VAL B 2 -2.072 2.298 -4.713 1.00 0.00 O ATOM 24 CB VAL B 2 -1.550 0.103 -2.694 1.00 0.00 C ATOM 25 CG1 VAL B 2 -3.029 0.462 -2.528 1.00 0.00 C ATOM 26 CG2 VAL B 2 -1.417 -0.965 -3.779 1.00 0.00 C ATOM 0 H VAL B 2 -1.779 2.496 -1.740 1.00 0.00 H new ATOM 0 HA VAL B 2 0.349 0.902 -3.046 1.00 0.00 H new ATOM 0 HB VAL B 2 -1.200 -0.269 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -3.596 -0.436 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.139 1.190 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -3.407 0.888 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -2.049 -1.818 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.729 -0.551 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -0.379 -1.290 -3.845 1.00 0.00 H new ATOM 36 N GLU B 3 0.098 2.002 -5.229 1.00 0.00 N ATOM 37 CA GLU B 3 0.004 2.621 -6.537 1.00 0.00 C ATOM 38 C GLU B 3 0.594 1.735 -7.626 1.00 0.00 C ATOM 39 O GLU B 3 1.633 1.102 -7.443 1.00 0.00 O ATOM 40 CB GLU B 3 0.644 4.009 -6.508 1.00 0.00 C ATOM 41 CG GLU B 3 2.054 4.019 -5.919 1.00 0.00 C ATOM 42 CD GLU B 3 2.529 5.457 -5.701 1.00 0.00 C ATOM 43 OE1 GLU B 3 2.267 6.292 -6.597 1.00 0.00 O ATOM 44 OE2 GLU B 3 3.148 5.706 -4.643 1.00 0.00 O ATOM 0 H GLU B 3 1.027 1.646 -5.003 1.00 0.00 H new ATOM 0 HA GLU B 3 -1.050 2.743 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU B 3 0.680 4.405 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU B 3 0.011 4.680 -5.927 1.00 0.00 H new ATOM 0 HG2 GLU B 3 2.064 3.478 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU B 3 2.739 3.500 -6.590 1.00 0.00 H new ATOM 51 N ALA B 4 -0.102 1.710 -8.765 1.00 0.00 N ATOM 52 CA ALA B 4 0.259 0.912 -9.916 1.00 0.00 C ATOM 53 C ALA B 4 0.761 1.833 -11.017 1.00 0.00 C ATOM 54 O ALA B 4 0.009 2.633 -11.578 1.00 0.00 O ATOM 55 CB ALA B 4 -0.947 0.086 -10.360 1.00 0.00 C ATOM 0 H ALA B 4 -0.950 2.260 -8.905 1.00 0.00 H new ATOM 0 HA ALA B 4 1.060 0.215 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -0.676 -0.516 -11.227 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -1.259 -0.569 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -1.768 0.753 -10.623 1.00 0.00 H new ATOM 61 N ASP B 5 2.049 1.702 -11.310 1.00 0.00 N ATOM 62 CA ASP B 5 2.700 2.406 -12.402 1.00 0.00 C ATOM 63 C ASP B 5 2.071 1.954 -13.723 1.00 0.00 C ATOM 64 O ASP B 5 1.298 0.997 -13.752 1.00 0.00 O ATOM 65 CB ASP B 5 4.206 2.137 -12.304 1.00 0.00 C ATOM 66 CG ASP B 5 5.017 2.852 -13.380 1.00 0.00 C ATOM 67 OD1 ASP B 5 4.599 3.957 -13.796 1.00 0.00 O ATOM 68 OD2 ASP B 5 6.057 2.281 -13.780 1.00 0.00 O ATOM 0 H ASP B 5 2.678 1.094 -10.786 1.00 0.00 H new ATOM 0 HA ASP B 5 2.560 3.486 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP B 5 4.561 2.451 -11.322 1.00 0.00 H new ATOM 0 HB3 ASP B 5 4.382 1.064 -12.379 1.00 0.00 H new ATOM 73 N ARG B 6 2.389 2.638 -14.825 1.00 0.00 N ATOM 74 CA ARG B 6 1.700 2.441 -16.096 1.00 0.00 C ATOM 75 C ARG B 6 1.804 0.997 -16.600 1.00 0.00 C ATOM 76 O ARG B 6 2.756 0.291 -16.263 1.00 0.00 O ATOM 77 CB ARG B 6 2.239 3.435 -17.132 1.00 0.00 C ATOM 78 CG ARG B 6 2.151 4.901 -16.675 1.00 0.00 C ATOM 79 CD ARG B 6 0.721 5.358 -16.370 1.00 0.00 C ATOM 80 NE ARG B 6 0.233 4.831 -15.085 1.00 0.00 N ATOM 81 CZ ARG B 6 -1.029 4.940 -14.659 1.00 0.00 C ATOM 82 NH1 ARG B 6 -1.932 5.586 -15.391 1.00 0.00 N ATOM 83 NH2 ARG B 6 -1.390 4.403 -13.498 1.00 0.00 N ATOM 0 H ARG B 6 3.128 3.340 -14.858 1.00 0.00 H new ATOM 0 HA ARG B 6 0.638 2.630 -15.937 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.279 3.192 -17.351 1.00 0.00 H new ATOM 0 HB3 ARG B 6 1.682 3.318 -18.061 1.00 0.00 H new ATOM 0 HG2 ARG B 6 2.765 5.034 -15.784 1.00 0.00 H new ATOM 0 HG3 ARG B 6 2.572 5.541 -17.450 1.00 0.00 H new ATOM 0 HD2 ARG B 6 0.685 6.447 -16.352 1.00 0.00 H new ATOM 0 HD3 ARG B 6 0.058 5.031 -17.171 1.00 0.00 H new ATOM 0 HE ARG B 6 0.901 4.352 -14.481 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -1.663 6.002 -16.283 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -2.894 5.666 -15.061 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -0.703 3.907 -12.930 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -2.354 4.487 -13.175 1.00 0.00 H new ATOM 97 N PRO B 7 0.825 0.557 -17.408 1.00 0.00 N ATOM 98 CA PRO B 7 0.752 -0.780 -17.982 1.00 0.00 C ATOM 99 C PRO B 7 2.035 -1.221 -18.675 1.00 0.00 C ATOM 100 O PRO B 7 2.817 -0.391 -19.141 1.00 0.00 O ATOM 101 CB PRO B 7 -0.361 -0.700 -19.020 1.00 0.00 C ATOM 102 CG PRO B 7 -1.307 0.338 -18.440 1.00 0.00 C ATOM 103 CD PRO B 7 -0.330 1.340 -17.822 1.00 0.00 C ATOM 0 HA PRO B 7 0.579 -1.508 -17.189 1.00 0.00 H new ATOM 0 HB2 PRO B 7 0.020 -0.397 -19.995 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -0.854 -1.662 -19.156 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -1.932 0.796 -19.207 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -1.978 -0.091 -17.696 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -0.046 2.106 -18.543 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -0.780 1.853 -16.972 1.00 0.00 H new ATOM 111 N GLY B 8 2.247 -2.537 -18.748 1.00 0.00 N ATOM 112 CA GLY B 8 3.357 -3.111 -19.484 1.00 0.00 C ATOM 113 C GLY B 8 4.489 -3.464 -18.539 1.00 0.00 C ATOM 114 O GLY B 8 5.392 -4.201 -18.932 1.00 0.00 O ATOM 0 H GLY B 8 1.649 -3.228 -18.295 1.00 0.00 H new ATOM 0 HA2 GLY B 8 3.027 -4.003 -20.016 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.709 -2.404 -20.235 1.00 0.00 H new ATOM 118 N LYS B 9 4.453 -2.960 -17.301 1.00 0.00 N ATOM 119 CA LYS B 9 5.500 -3.262 -16.344 1.00 0.00 C ATOM 120 C LYS B 9 5.027 -4.370 -15.423 1.00 0.00 C ATOM 121 O LYS B 9 3.950 -4.278 -14.836 1.00 0.00 O ATOM 122 CB LYS B 9 5.921 -2.012 -15.574 1.00 0.00 C ATOM 123 CG LYS B 9 7.092 -2.407 -14.669 1.00 0.00 C ATOM 124 CD LYS B 9 7.560 -1.230 -13.823 1.00 0.00 C ATOM 125 CE LYS B 9 8.195 -0.152 -14.700 1.00 0.00 C ATOM 126 NZ LYS B 9 8.552 1.035 -13.907 1.00 0.00 N ATOM 0 H LYS B 9 3.716 -2.349 -16.950 1.00 0.00 H new ATOM 0 HA LYS B 9 6.388 -3.609 -16.873 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.217 -1.219 -16.261 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.090 -1.628 -14.982 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.791 -3.228 -14.018 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.919 -2.771 -15.279 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.715 -0.810 -13.277 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.281 -1.573 -13.081 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.086 -0.551 -15.184 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.502 0.131 -15.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.172 1.654 -14.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.688 1.553 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.049 0.739 -13.043 1.00 0.00 H new ATOM 140 N LEU B 10 5.835 -5.419 -15.301 1.00 0.00 N ATOM 141 CA LEU B 10 5.468 -6.580 -14.514 1.00 0.00 C ATOM 142 C LEU B 10 6.394 -6.720 -13.319 1.00 0.00 C ATOM 143 O LEU B 10 7.523 -6.234 -13.337 1.00 0.00 O ATOM 144 CB LEU B 10 5.551 -7.815 -15.401 1.00 0.00 C ATOM 145 CG LEU B 10 4.525 -7.855 -16.533 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.742 -9.170 -17.285 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.090 -7.839 -16.019 1.00 0.00 C ATOM 0 H LEU B 10 6.752 -5.484 -15.742 1.00 0.00 H new ATOM 0 HA LEU B 10 4.451 -6.466 -14.139 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.551 -7.870 -15.832 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.422 -8.702 -14.780 1.00 0.00 H new ATOM 0 HG LEU B 10 4.662 -6.975 -17.161 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.028 -9.242 -18.106 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.756 -9.198 -17.683 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.596 -10.008 -16.603 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.401 -7.869 -16.863 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.922 -8.708 -15.382 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.920 -6.929 -15.443 1.00 0.00 H new ATOM 159 N PHE B 11 5.897 -7.397 -12.281 1.00 0.00 N ATOM 160 CA PHE B 11 6.663 -7.764 -11.111 1.00 0.00 C ATOM 161 C PHE B 11 6.867 -9.271 -11.146 1.00 0.00 C ATOM 162 O PHE B 11 5.905 -10.016 -11.326 1.00 0.00 O ATOM 163 CB PHE B 11 5.917 -7.352 -9.846 1.00 0.00 C ATOM 164 CG PHE B 11 6.579 -7.878 -8.597 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.720 -7.236 -8.102 1.00 0.00 C ATOM 166 CD2 PHE B 11 6.068 -9.010 -7.947 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.349 -7.722 -6.951 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.709 -9.504 -6.801 1.00 0.00 C ATOM 169 CZ PHE B 11 7.854 -8.860 -6.310 1.00 0.00 C ATOM 0 H PHE B 11 4.926 -7.708 -12.240 1.00 0.00 H new ATOM 0 HA PHE B 11 7.627 -7.255 -11.108 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.863 -6.264 -9.796 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.892 -7.720 -9.894 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.114 -6.367 -8.608 1.00 0.00 H new ATOM 0 HD2 PHE B 11 5.184 -9.500 -8.327 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.219 -7.217 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE B 11 6.322 -10.378 -6.298 1.00 0.00 H new ATOM 0 HZ PHE B 11 8.354 -9.245 -5.434 1.00 0.00 H new ATOM 179 N ILE B 12 8.111 -9.715 -10.980 1.00 0.00 N ATOM 180 CA ILE B 12 8.476 -11.116 -11.126 1.00 0.00 C ATOM 181 C ILE B 12 9.092 -11.625 -9.821 1.00 0.00 C ATOM 182 O ILE B 12 10.304 -11.798 -9.741 1.00 0.00 O ATOM 183 CB ILE B 12 9.456 -11.286 -12.298 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.169 -10.437 -13.545 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.469 -12.758 -12.687 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.796 -10.639 -14.177 1.00 0.00 C ATOM 0 H ILE B 12 8.895 -9.108 -10.740 1.00 0.00 H new ATOM 0 HA ILE B 12 7.584 -11.704 -11.342 1.00 0.00 H new ATOM 0 HB ILE B 12 10.420 -10.928 -11.937 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.276 -9.385 -13.279 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.930 -10.655 -14.294 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.158 -12.909 -13.518 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.792 -13.357 -11.835 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.467 -13.064 -12.986 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.698 -9.992 -15.049 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.686 -11.679 -14.483 1.00 0.00 H new ATOM 0 HD13 ILE B 12 7.021 -10.390 -13.452 1.00 0.00 H new ATOM 198 N GLY B 13 8.276 -11.867 -8.791 1.00 0.00 N ATOM 199 CA GLY B 13 8.806 -12.268 -7.492 1.00 0.00 C ATOM 200 C GLY B 13 8.872 -13.783 -7.339 1.00 0.00 C ATOM 201 O GLY B 13 8.021 -14.488 -7.874 1.00 0.00 O ATOM 0 H GLY B 13 7.260 -11.793 -8.833 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.804 -11.848 -7.363 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.181 -11.852 -6.702 1.00 0.00 H new ATOM 205 N GLY B 14 9.866 -14.293 -6.608 1.00 0.00 N ATOM 206 CA GLY B 14 9.943 -15.706 -6.264 1.00 0.00 C ATOM 207 C GLY B 14 11.008 -16.436 -7.079 1.00 0.00 C ATOM 208 O GLY B 14 11.070 -17.666 -7.069 1.00 0.00 O ATOM 0 H GLY B 14 10.637 -13.735 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.165 -15.809 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.973 -16.174 -6.433 1.00 0.00 H new ATOM 212 N LEU B 15 11.847 -15.681 -7.792 1.00 0.00 N ATOM 213 CA LEU B 15 12.849 -16.238 -8.686 1.00 0.00 C ATOM 214 C LEU B 15 13.912 -17.044 -7.933 1.00 0.00 C ATOM 215 O LEU B 15 14.018 -16.975 -6.709 1.00 0.00 O ATOM 216 CB LEU B 15 13.500 -15.112 -9.489 1.00 0.00 C ATOM 217 CG LEU B 15 12.506 -14.323 -10.342 1.00 0.00 C ATOM 218 CD1 LEU B 15 13.134 -13.001 -10.769 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.205 -15.136 -11.593 1.00 0.00 C ATOM 0 H LEU B 15 11.845 -14.661 -7.761 1.00 0.00 H new ATOM 0 HA LEU B 15 12.347 -16.930 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU B 15 14.001 -14.429 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.268 -15.534 -10.137 1.00 0.00 H new ATOM 0 HG LEU B 15 11.598 -14.131 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU B 15 12.424 -12.440 -11.377 1.00 0.00 H new ATOM 0 HD12 LEU B 15 13.393 -12.419 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU B 15 14.034 -13.197 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.497 -14.593 -12.218 1.00 0.00 H new ATOM 0 HD22 LEU B 15 13.127 -15.302 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.775 -16.096 -11.308 1.00 0.00 H new ATOM 231 N ASN B 16 14.700 -17.814 -8.690 1.00 0.00 N ATOM 232 CA ASN B 16 15.650 -18.782 -8.172 1.00 0.00 C ATOM 233 C ASN B 16 16.956 -18.183 -7.673 1.00 0.00 C ATOM 234 O ASN B 16 17.816 -18.902 -7.174 1.00 0.00 O ATOM 235 CB ASN B 16 15.898 -19.769 -9.301 1.00 0.00 C ATOM 236 CG ASN B 16 16.720 -20.980 -8.914 1.00 0.00 C ATOM 237 OD1 ASN B 16 16.806 -21.370 -7.754 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.330 -21.581 -9.923 1.00 0.00 N ATOM 0 H ASN B 16 14.688 -17.774 -9.709 1.00 0.00 H new ATOM 0 HA ASN B 16 15.228 -19.255 -7.285 1.00 0.00 H new ATOM 0 HB2 ASN B 16 14.937 -20.108 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.403 -19.249 -10.115 1.00 0.00 H new ATOM 0 HD21 ASN B 16 17.903 -22.408 -9.753 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.227 -21.218 -10.871 1.00 0.00 H new ATOM 245 N THR B 17 17.113 -16.869 -7.810 1.00 0.00 N ATOM 246 CA THR B 17 18.366 -16.151 -7.601 1.00 0.00 C ATOM 247 C THR B 17 19.438 -16.508 -8.631 1.00 0.00 C ATOM 248 O THR B 17 20.450 -15.820 -8.737 1.00 0.00 O ATOM 249 CB THR B 17 18.920 -16.274 -6.172 1.00 0.00 C ATOM 250 OG1 THR B 17 19.753 -17.408 -6.072 1.00 0.00 O ATOM 251 CG2 THR B 17 17.825 -16.415 -5.124 1.00 0.00 C ATOM 0 H THR B 17 16.345 -16.254 -8.079 1.00 0.00 H new ATOM 0 HA THR B 17 18.102 -15.104 -7.747 1.00 0.00 H new ATOM 0 HB THR B 17 19.471 -15.354 -5.980 1.00 0.00 H new ATOM 0 HG1 THR B 17 19.289 -18.188 -6.441 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.276 -16.498 -4.135 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.177 -15.539 -5.155 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.237 -17.309 -5.330 1.00 0.00 H new ATOM 259 N GLU B 18 19.214 -17.584 -9.389 1.00 0.00 N ATOM 260 CA GLU B 18 20.109 -18.037 -10.441 1.00 0.00 C ATOM 261 C GLU B 18 19.695 -17.401 -11.765 1.00 0.00 C ATOM 262 O GLU B 18 20.401 -17.506 -12.766 1.00 0.00 O ATOM 263 CB GLU B 18 20.048 -19.567 -10.520 1.00 0.00 C ATOM 264 CG GLU B 18 20.164 -20.199 -9.129 1.00 0.00 C ATOM 265 CD GLU B 18 21.486 -19.867 -8.441 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.495 -19.699 -9.165 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.485 -19.784 -7.192 1.00 0.00 O ATOM 0 H GLU B 18 18.387 -18.172 -9.282 1.00 0.00 H new ATOM 0 HA GLU B 18 21.135 -17.739 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.110 -19.873 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU B 18 20.853 -19.933 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.338 -19.853 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.066 -21.281 -9.216 1.00 0.00 H new ATOM 274 N THR B 19 18.535 -16.739 -11.756 1.00 0.00 N ATOM 275 CA THR B 19 17.986 -16.034 -12.899 1.00 0.00 C ATOM 276 C THR B 19 18.687 -14.687 -13.055 1.00 0.00 C ATOM 277 O THR B 19 19.045 -14.056 -12.061 1.00 0.00 O ATOM 278 CB THR B 19 16.484 -15.826 -12.681 1.00 0.00 C ATOM 279 OG1 THR B 19 15.881 -17.042 -12.295 1.00 0.00 O ATOM 280 CG2 THR B 19 15.795 -15.327 -13.947 1.00 0.00 C ATOM 0 H THR B 19 17.942 -16.682 -10.928 1.00 0.00 H new ATOM 0 HA THR B 19 18.143 -16.617 -13.806 1.00 0.00 H new ATOM 0 HB THR B 19 16.370 -15.076 -11.899 1.00 0.00 H new ATOM 0 HG1 THR B 19 14.921 -16.901 -12.156 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.731 -15.191 -13.753 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.233 -14.376 -14.249 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.928 -16.057 -14.745 1.00 0.00 H new ATOM 288 N ASN B 20 18.879 -14.256 -14.302 1.00 0.00 N ATOM 289 CA ASN B 20 19.453 -12.955 -14.600 1.00 0.00 C ATOM 290 C ASN B 20 18.665 -12.297 -15.722 1.00 0.00 C ATOM 291 O ASN B 20 17.620 -12.794 -16.142 1.00 0.00 O ATOM 292 CB ASN B 20 20.942 -13.048 -14.959 1.00 0.00 C ATOM 293 CG ASN B 20 21.533 -14.432 -14.739 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.053 -14.736 -13.672 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.451 -15.273 -15.767 1.00 0.00 N ATOM 0 H ASN B 20 18.639 -14.803 -15.129 1.00 0.00 H new ATOM 0 HA ASN B 20 19.386 -12.342 -13.701 1.00 0.00 H new ATOM 0 HB2 ASN B 20 21.074 -12.767 -16.004 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.498 -12.325 -14.362 1.00 0.00 H new ATOM 0 HD21 ASN B 20 21.831 -16.216 -15.686 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.009 -14.974 -16.636 1.00 0.00 H new ATOM 302 N GLU B 21 19.179 -11.171 -16.202 1.00 0.00 N ATOM 303 CA GLU B 21 18.476 -10.301 -17.123 1.00 0.00 C ATOM 304 C GLU B 21 18.250 -11.009 -18.452 1.00 0.00 C ATOM 305 O GLU B 21 17.201 -10.853 -19.069 1.00 0.00 O ATOM 306 CB GLU B 21 19.302 -9.026 -17.333 1.00 0.00 C ATOM 307 CG GLU B 21 19.685 -8.401 -15.989 1.00 0.00 C ATOM 308 CD GLU B 21 20.953 -8.991 -15.361 1.00 0.00 C ATOM 309 OE1 GLU B 21 21.582 -9.867 -15.996 1.00 0.00 O ATOM 310 OE2 GLU B 21 21.287 -8.556 -14.236 1.00 0.00 O ATOM 0 H GLU B 21 20.110 -10.836 -15.956 1.00 0.00 H new ATOM 0 HA GLU B 21 17.503 -10.041 -16.707 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.203 -9.260 -17.901 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.730 -8.310 -17.923 1.00 0.00 H new ATOM 0 HG2 GLU B 21 19.826 -7.329 -16.126 1.00 0.00 H new ATOM 0 HG3 GLU B 21 18.856 -8.527 -15.293 1.00 0.00 H new ATOM 317 N LYS B 22 19.236 -11.794 -18.887 1.00 0.00 N ATOM 318 CA LYS B 22 19.184 -12.483 -20.165 1.00 0.00 C ATOM 319 C LYS B 22 18.065 -13.520 -20.159 1.00 0.00 C ATOM 320 O LYS B 22 17.444 -13.786 -21.183 1.00 0.00 O ATOM 321 CB LYS B 22 20.559 -13.122 -20.392 1.00 0.00 C ATOM 322 CG LYS B 22 20.975 -13.231 -21.860 1.00 0.00 C ATOM 323 CD LYS B 22 20.029 -14.086 -22.701 1.00 0.00 C ATOM 324 CE LYS B 22 19.901 -15.516 -22.170 1.00 0.00 C ATOM 325 NZ LYS B 22 21.181 -16.248 -22.262 1.00 0.00 N ATOM 0 H LYS B 22 20.091 -11.966 -18.359 1.00 0.00 H new ATOM 0 HA LYS B 22 18.963 -11.794 -20.980 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.309 -12.539 -19.858 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.559 -14.120 -19.953 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.026 -12.231 -22.290 1.00 0.00 H new ATOM 0 HG3 LYS B 22 21.978 -13.653 -21.914 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.044 -13.620 -22.721 1.00 0.00 H new ATOM 0 HD3 LYS B 22 20.388 -14.115 -23.730 1.00 0.00 H new ATOM 0 HE2 LYS B 22 19.570 -15.491 -21.132 1.00 0.00 H new ATOM 0 HE3 LYS B 22 19.136 -16.048 -22.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 21.037 -17.237 -21.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 21.527 -16.220 -23.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 21.881 -15.803 -21.635 1.00 0.00 H new ATOM 339 N ALA B 23 17.790 -14.118 -18.997 1.00 0.00 N ATOM 340 CA ALA B 23 16.854 -15.225 -18.912 1.00 0.00 C ATOM 341 C ALA B 23 15.449 -14.673 -18.723 1.00 0.00 C ATOM 342 O ALA B 23 14.456 -15.342 -19.002 1.00 0.00 O ATOM 343 CB ALA B 23 17.257 -16.132 -17.749 1.00 0.00 C ATOM 0 H ALA B 23 18.206 -13.849 -18.106 1.00 0.00 H new ATOM 0 HA ALA B 23 16.871 -15.815 -19.828 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.558 -16.966 -17.679 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.263 -16.515 -17.918 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.237 -15.563 -16.820 1.00 0.00 H new ATOM 349 N LEU B 24 15.383 -13.434 -18.246 1.00 0.00 N ATOM 350 CA LEU B 24 14.159 -12.729 -17.943 1.00 0.00 C ATOM 351 C LEU B 24 13.652 -12.050 -19.206 1.00 0.00 C ATOM 352 O LEU B 24 12.454 -11.831 -19.365 1.00 0.00 O ATOM 353 CB LEU B 24 14.528 -11.725 -16.854 1.00 0.00 C ATOM 354 CG LEU B 24 14.099 -12.247 -15.485 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.887 -11.575 -14.364 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.620 -11.964 -15.274 1.00 0.00 C ATOM 0 H LEU B 24 16.217 -12.879 -18.055 1.00 0.00 H new ATOM 0 HA LEU B 24 13.358 -13.382 -17.597 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.603 -11.548 -16.863 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.046 -10.768 -17.053 1.00 0.00 H new ATOM 0 HG LEU B 24 14.293 -13.319 -15.459 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.558 -11.968 -13.402 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.950 -11.777 -14.495 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.716 -10.499 -14.394 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.314 -12.337 -14.297 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.444 -10.889 -15.324 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.040 -12.463 -16.050 1.00 0.00 H new ATOM 368 N GLU B 25 14.565 -11.715 -20.116 1.00 0.00 N ATOM 369 CA GLU B 25 14.172 -11.195 -21.415 1.00 0.00 C ATOM 370 C GLU B 25 13.799 -12.340 -22.343 1.00 0.00 C ATOM 371 O GLU B 25 13.003 -12.183 -23.266 1.00 0.00 O ATOM 372 CB GLU B 25 15.333 -10.433 -22.047 1.00 0.00 C ATOM 373 CG GLU B 25 15.568 -9.142 -21.285 1.00 0.00 C ATOM 374 CD GLU B 25 16.614 -8.268 -21.972 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.821 -8.543 -21.779 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.200 -7.327 -22.686 1.00 0.00 O ATOM 0 H GLU B 25 15.572 -11.795 -19.976 1.00 0.00 H new ATOM 0 HA GLU B 25 13.319 -10.531 -21.273 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.235 -11.045 -22.032 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.113 -10.216 -23.092 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.631 -8.592 -21.202 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.894 -9.371 -20.270 1.00 0.00 H new ATOM 383 N ALA B 26 14.394 -13.502 -22.081 1.00 0.00 N ATOM 384 CA ALA B 26 14.241 -14.684 -22.908 1.00 0.00 C ATOM 385 C ALA B 26 12.970 -15.447 -22.565 1.00 0.00 C ATOM 386 O ALA B 26 12.485 -16.235 -23.374 1.00 0.00 O ATOM 387 CB ALA B 26 15.453 -15.573 -22.657 1.00 0.00 C ATOM 0 H ALA B 26 15.003 -13.645 -21.276 1.00 0.00 H new ATOM 0 HA ALA B 26 14.170 -14.390 -23.955 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.374 -16.475 -23.263 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.362 -15.034 -22.925 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.491 -15.847 -21.603 1.00 0.00 H new ATOM 393 N VAL B 27 12.427 -15.216 -21.367 1.00 0.00 N ATOM 394 CA VAL B 27 11.264 -15.940 -20.880 1.00 0.00 C ATOM 395 C VAL B 27 9.993 -15.104 -20.945 1.00 0.00 C ATOM 396 O VAL B 27 8.911 -15.626 -21.203 1.00 0.00 O ATOM 397 CB VAL B 27 11.573 -16.374 -19.461 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.501 -15.219 -18.478 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.613 -17.448 -18.989 1.00 0.00 C ATOM 0 H VAL B 27 12.786 -14.521 -20.712 1.00 0.00 H new ATOM 0 HA VAL B 27 11.072 -16.805 -21.515 1.00 0.00 H new ATOM 0 HB VAL B 27 12.591 -16.763 -19.487 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.730 -15.580 -17.475 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.223 -14.454 -18.762 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.498 -14.793 -18.490 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.863 -17.736 -17.968 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.594 -17.063 -19.018 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.691 -18.318 -19.641 1.00 0.00 H new ATOM 409 N PHE B 28 10.124 -13.803 -20.710 1.00 0.00 N ATOM 410 CA PHE B 28 8.994 -12.896 -20.843 1.00 0.00 C ATOM 411 C PHE B 28 8.938 -12.290 -22.238 1.00 0.00 C ATOM 412 O PHE B 28 7.949 -11.655 -22.594 1.00 0.00 O ATOM 413 CB PHE B 28 9.028 -11.835 -19.749 1.00 0.00 C ATOM 414 CG PHE B 28 8.770 -12.411 -18.380 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.459 -12.700 -17.977 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.841 -12.668 -17.517 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.228 -13.266 -16.719 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.612 -13.243 -16.263 1.00 0.00 C ATOM 419 CZ PHE B 28 8.302 -13.537 -15.862 1.00 0.00 C ATOM 0 H PHE B 28 10.997 -13.356 -20.428 1.00 0.00 H new ATOM 0 HA PHE B 28 8.073 -13.465 -20.713 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.000 -11.342 -19.755 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.282 -11.071 -19.965 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.630 -12.486 -18.636 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.848 -12.421 -17.820 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.219 -13.495 -16.408 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.442 -13.460 -15.606 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.120 -13.973 -14.891 1.00 0.00 H new ATOM 429 N GLY B 29 9.989 -12.488 -23.038 1.00 0.00 N ATOM 430 CA GLY B 29 9.983 -12.029 -24.421 1.00 0.00 C ATOM 431 C GLY B 29 9.146 -12.965 -25.285 1.00 0.00 C ATOM 432 O GLY B 29 8.967 -12.729 -26.478 1.00 0.00 O ATOM 0 H GLY B 29 10.847 -12.960 -22.751 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.581 -11.017 -24.474 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.003 -11.987 -24.802 1.00 0.00 H new ATOM 436 N LYS B 30 8.633 -14.037 -24.669 1.00 0.00 N ATOM 437 CA LYS B 30 7.838 -15.057 -25.321 1.00 0.00 C ATOM 438 C LYS B 30 6.386 -14.613 -25.460 1.00 0.00 C ATOM 439 O LYS B 30 5.603 -15.245 -26.165 1.00 0.00 O ATOM 440 CB LYS B 30 7.927 -16.328 -24.469 1.00 0.00 C ATOM 441 CG LYS B 30 9.389 -16.728 -24.285 1.00 0.00 C ATOM 442 CD LYS B 30 9.564 -17.910 -23.327 1.00 0.00 C ATOM 443 CE LYS B 30 8.697 -19.108 -23.711 1.00 0.00 C ATOM 444 NZ LYS B 30 9.064 -19.652 -25.031 1.00 0.00 N ATOM 0 H LYS B 30 8.770 -14.214 -23.674 1.00 0.00 H new ATOM 0 HA LYS B 30 8.217 -15.240 -26.326 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.462 -16.159 -23.498 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.377 -17.137 -24.949 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.815 -16.986 -25.255 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.950 -15.873 -23.907 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.611 -18.212 -23.316 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.313 -17.593 -22.315 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.800 -19.887 -22.956 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.649 -18.809 -23.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.476 -20.484 -25.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.910 -18.927 -25.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.066 -19.930 -25.026 1.00 0.00 H new ATOM 458 N TYR B 31 6.047 -13.519 -24.777 1.00 0.00 N ATOM 459 CA TYR B 31 4.696 -12.989 -24.745 1.00 0.00 C ATOM 460 C TYR B 31 4.577 -11.632 -25.433 1.00 0.00 C ATOM 461 O TYR B 31 3.475 -11.225 -25.799 1.00 0.00 O ATOM 462 CB TYR B 31 4.287 -12.895 -23.281 1.00 0.00 C ATOM 463 CG TYR B 31 4.395 -14.222 -22.559 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.432 -15.212 -22.784 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.468 -14.461 -21.684 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.557 -16.462 -22.167 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.595 -15.707 -21.049 1.00 0.00 C ATOM 468 CZ TYR B 31 4.653 -16.724 -21.322 1.00 0.00 C ATOM 469 OH TYR B 31 4.796 -17.970 -20.786 1.00 0.00 O ATOM 0 H TYR B 31 6.713 -12.976 -24.228 1.00 0.00 H new ATOM 0 HA TYR B 31 4.033 -13.654 -25.299 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.916 -12.160 -22.779 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.261 -12.533 -23.217 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.593 -15.012 -23.433 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.196 -13.685 -21.499 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.813 -17.226 -22.339 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.406 -15.886 -20.358 1.00 0.00 H new ATOM 0 HH TYR B 31 5.748 -18.160 -20.650 1.00 0.00 H new ATOM 479 N GLY B 32 5.697 -10.927 -25.611 1.00 0.00 N ATOM 480 CA GLY B 32 5.712 -9.624 -26.250 1.00 0.00 C ATOM 481 C GLY B 32 7.125 -9.108 -26.419 1.00 0.00 C ATOM 482 O GLY B 32 8.043 -9.580 -25.751 1.00 0.00 O ATOM 0 H GLY B 32 6.617 -11.251 -25.313 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.228 -9.689 -27.224 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.134 -8.918 -25.654 1.00 0.00 H new ATOM 486 N ARG B 33 7.298 -8.136 -27.317 1.00 0.00 N ATOM 487 CA ARG B 33 8.616 -7.560 -27.486 1.00 0.00 C ATOM 488 C ARG B 33 8.890 -6.667 -26.286 1.00 0.00 C ATOM 489 O ARG B 33 8.143 -5.737 -25.981 1.00 0.00 O ATOM 490 CB ARG B 33 8.784 -6.883 -28.848 1.00 0.00 C ATOM 491 CG ARG B 33 8.124 -5.506 -28.927 1.00 0.00 C ATOM 492 CD ARG B 33 8.384 -4.927 -30.312 1.00 0.00 C ATOM 493 NE ARG B 33 7.593 -5.616 -31.338 1.00 0.00 N ATOM 494 CZ ARG B 33 6.427 -5.168 -31.815 1.00 0.00 C ATOM 495 NH1 ARG B 33 5.904 -4.025 -31.384 1.00 0.00 N ATOM 496 NH2 ARG B 33 5.777 -5.875 -32.734 1.00 0.00 N ATOM 0 H ARG B 33 6.567 -7.749 -27.914 1.00 0.00 H new ATOM 0 HA ARG B 33 9.379 -8.338 -27.505 1.00 0.00 H new ATOM 0 HB2 ARG B 33 9.847 -6.781 -29.066 1.00 0.00 H new ATOM 0 HB3 ARG B 33 8.360 -7.526 -29.620 1.00 0.00 H new ATOM 0 HG2 ARG B 33 7.052 -5.588 -28.745 1.00 0.00 H new ATOM 0 HG3 ARG B 33 8.528 -4.847 -28.158 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.140 -3.865 -30.315 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.444 -5.012 -30.550 1.00 0.00 H new ATOM 0 HE ARG B 33 7.956 -6.493 -31.711 1.00 0.00 H new ATOM 0 HH11 ARG B 33 6.393 -3.474 -30.678 1.00 0.00 H new ATOM 0 HH12 ARG B 33 5.013 -3.698 -31.759 1.00 0.00 H new ATOM 0 HH21 ARG B 33 6.168 -6.754 -33.072 1.00 0.00 H new ATOM 0 HH22 ARG B 33 4.887 -5.538 -33.101 1.00 0.00 H new ATOM 510 N ILE B 34 9.984 -6.981 -25.613 1.00 0.00 N ATOM 511 CA ILE B 34 10.429 -6.279 -24.422 1.00 0.00 C ATOM 512 C ILE B 34 11.097 -4.964 -24.803 1.00 0.00 C ATOM 513 O ILE B 34 11.790 -4.878 -25.817 1.00 0.00 O ATOM 514 CB ILE B 34 11.355 -7.197 -23.627 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.500 -8.340 -23.059 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.067 -6.442 -22.503 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.318 -9.306 -22.203 1.00 0.00 C ATOM 0 H ILE B 34 10.600 -7.747 -25.885 1.00 0.00 H new ATOM 0 HA ILE B 34 9.579 -6.024 -23.789 1.00 0.00 H new ATOM 0 HB ILE B 34 12.135 -7.589 -24.280 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.691 -7.922 -22.459 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.038 -8.888 -23.880 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.717 -7.127 -21.959 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.664 -5.635 -22.928 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.327 -6.024 -21.820 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.669 -10.096 -21.825 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.111 -9.746 -22.808 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.759 -8.766 -21.365 1.00 0.00 H new ATOM 529 N VAL B 35 10.883 -3.943 -23.970 1.00 0.00 N ATOM 530 CA VAL B 35 11.473 -2.624 -24.158 1.00 0.00 C ATOM 531 C VAL B 35 12.479 -2.341 -23.046 1.00 0.00 C ATOM 532 O VAL B 35 13.374 -1.517 -23.218 1.00 0.00 O ATOM 533 CB VAL B 35 10.386 -1.538 -24.199 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.498 -0.753 -25.501 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.964 -2.094 -24.122 1.00 0.00 C ATOM 0 H VAL B 35 10.291 -4.013 -23.142 1.00 0.00 H new ATOM 0 HA VAL B 35 11.994 -2.609 -25.115 1.00 0.00 H new ATOM 0 HB VAL B 35 10.555 -0.912 -23.323 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.727 0.017 -25.529 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.481 -0.285 -25.560 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.367 -1.429 -26.346 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.249 -1.272 -24.156 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.789 -2.762 -24.965 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.839 -2.645 -23.190 1.00 0.00 H new ATOM 545 N GLU B 36 12.334 -3.025 -21.907 1.00 0.00 N ATOM 546 CA GLU B 36 13.253 -2.912 -20.784 1.00 0.00 C ATOM 547 C GLU B 36 13.080 -4.109 -19.854 1.00 0.00 C ATOM 548 O GLU B 36 11.988 -4.663 -19.759 1.00 0.00 O ATOM 549 CB GLU B 36 12.970 -1.606 -20.032 1.00 0.00 C ATOM 550 CG GLU B 36 13.910 -1.432 -18.841 1.00 0.00 C ATOM 551 CD GLU B 36 13.770 -0.038 -18.230 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.466 0.881 -18.719 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.970 0.098 -17.278 1.00 0.00 O ATOM 0 H GLU B 36 11.567 -3.677 -21.743 1.00 0.00 H new ATOM 0 HA GLU B 36 14.281 -2.900 -21.147 1.00 0.00 H new ATOM 0 HB2 GLU B 36 13.082 -0.762 -20.712 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.937 -1.601 -19.685 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.690 -2.187 -18.086 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.940 -1.591 -19.160 1.00 0.00 H new ATOM 560 N VAL B 37 14.149 -4.511 -19.161 1.00 0.00 N ATOM 561 CA VAL B 37 14.071 -5.531 -18.125 1.00 0.00 C ATOM 562 C VAL B 37 14.892 -5.101 -16.922 1.00 0.00 C ATOM 563 O VAL B 37 15.933 -4.460 -17.053 1.00 0.00 O ATOM 564 CB VAL B 37 14.503 -6.912 -18.645 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.174 -7.778 -17.576 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.254 -7.663 -19.100 1.00 0.00 C ATOM 0 H VAL B 37 15.087 -4.137 -19.305 1.00 0.00 H new ATOM 0 HA VAL B 37 13.030 -5.633 -17.819 1.00 0.00 H new ATOM 0 HB VAL B 37 15.220 -6.739 -19.447 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.454 -8.738 -18.009 1.00 0.00 H new ATOM 0 HG12 VAL B 37 16.066 -7.273 -17.206 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.480 -7.940 -16.751 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.537 -8.647 -19.473 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.571 -7.777 -18.258 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.761 -7.102 -19.894 1.00 0.00 H new ATOM 576 N LEU B 38 14.397 -5.476 -15.742 1.00 0.00 N ATOM 577 CA LEU B 38 15.075 -5.255 -14.477 1.00 0.00 C ATOM 578 C LEU B 38 15.353 -6.601 -13.846 1.00 0.00 C ATOM 579 O LEU B 38 14.657 -7.579 -14.108 1.00 0.00 O ATOM 580 CB LEU B 38 14.156 -4.448 -13.573 1.00 0.00 C ATOM 581 CG LEU B 38 14.387 -2.937 -13.621 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.369 -2.245 -12.722 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.771 -2.553 -13.107 1.00 0.00 C ATOM 0 H LEU B 38 13.499 -5.949 -15.643 1.00 0.00 H new ATOM 0 HA LEU B 38 16.011 -4.716 -14.625 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.122 -4.654 -13.850 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.285 -4.790 -12.546 1.00 0.00 H new ATOM 0 HG LEU B 38 14.291 -2.630 -14.662 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.530 -1.167 -12.753 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.362 -2.472 -13.071 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.487 -2.600 -11.698 1.00 0.00 H new ATOM 0 HD21 LEU B 38 15.891 -1.471 -13.159 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.879 -2.881 -12.073 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.533 -3.033 -13.721 1.00 0.00 H new ATOM 595 N LEU B 39 16.379 -6.640 -13.007 1.00 0.00 N ATOM 596 CA LEU B 39 16.677 -7.798 -12.199 1.00 0.00 C ATOM 597 C LEU B 39 17.310 -7.259 -10.931 1.00 0.00 C ATOM 598 O LEU B 39 18.371 -6.634 -10.982 1.00 0.00 O ATOM 599 CB LEU B 39 17.591 -8.717 -13.009 1.00 0.00 C ATOM 600 CG LEU B 39 18.032 -10.014 -12.327 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.268 -9.795 -11.461 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.938 -10.669 -11.490 1.00 0.00 C ATOM 0 H LEU B 39 17.026 -5.863 -12.873 1.00 0.00 H new ATOM 0 HA LEU B 39 15.808 -8.396 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU B 39 17.080 -8.976 -13.936 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.484 -8.155 -13.283 1.00 0.00 H new ATOM 0 HG LEU B 39 18.269 -10.697 -13.143 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.554 -10.736 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU B 39 20.088 -9.435 -12.082 1.00 0.00 H new ATOM 0 HD13 LEU B 39 19.046 -9.057 -10.690 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.324 -11.583 -11.038 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.620 -9.982 -10.706 1.00 0.00 H new ATOM 0 HD23 LEU B 39 16.088 -10.911 -12.128 1.00 0.00 H new ATOM 614 N MET B 40 16.660 -7.493 -9.794 1.00 0.00 N ATOM 615 CA MET B 40 17.059 -6.827 -8.570 1.00 0.00 C ATOM 616 C MET B 40 18.043 -7.692 -7.809 1.00 0.00 C ATOM 617 O MET B 40 17.869 -8.906 -7.758 1.00 0.00 O ATOM 618 CB MET B 40 15.832 -6.482 -7.719 1.00 0.00 C ATOM 619 CG MET B 40 14.679 -5.872 -8.528 1.00 0.00 C ATOM 620 SD MET B 40 15.113 -4.915 -10.008 1.00 0.00 S ATOM 621 CE MET B 40 16.169 -3.618 -9.319 1.00 0.00 C ATOM 0 H MET B 40 15.868 -8.129 -9.700 1.00 0.00 H new ATOM 0 HA MET B 40 17.556 -5.889 -8.818 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.479 -7.385 -7.222 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.127 -5.782 -6.937 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.016 -6.682 -8.833 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.107 -5.224 -7.864 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.748 -2.641 -9.557 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.229 -3.734 -8.237 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.168 -3.696 -9.748 1.00 0.00 H new ATOM 631 N LYS B 41 19.074 -7.081 -7.214 1.00 0.00 N ATOM 632 CA LYS B 41 20.057 -7.821 -6.438 1.00 0.00 C ATOM 633 C LYS B 41 20.639 -6.992 -5.298 1.00 0.00 C ATOM 634 O LYS B 41 20.719 -5.765 -5.372 1.00 0.00 O ATOM 635 CB LYS B 41 21.186 -8.373 -7.323 1.00 0.00 C ATOM 636 CG LYS B 41 21.256 -7.739 -8.710 1.00 0.00 C ATOM 637 CD LYS B 41 22.484 -8.277 -9.446 1.00 0.00 C ATOM 638 CE LYS B 41 22.463 -7.784 -10.893 1.00 0.00 C ATOM 639 NZ LYS B 41 23.605 -8.326 -11.655 1.00 0.00 N ATOM 0 H LYS B 41 19.243 -6.076 -7.259 1.00 0.00 H new ATOM 0 HA LYS B 41 19.522 -8.663 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.139 -8.219 -6.816 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.054 -9.449 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.351 -7.966 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.314 -6.654 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.395 -7.943 -8.949 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.488 -9.367 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.529 -8.083 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.495 -6.695 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.567 -7.976 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.495 -8.020 -11.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.559 -9.365 -11.657 1.00 0.00 H new ATOM 653 N ASP B 42 21.038 -7.700 -4.242 1.00 0.00 N ATOM 654 CA ASP B 42 21.704 -7.146 -3.074 1.00 0.00 C ATOM 655 C ASP B 42 23.037 -6.494 -3.450 1.00 0.00 C ATOM 656 O ASP B 42 23.627 -6.816 -4.480 1.00 0.00 O ATOM 657 CB ASP B 42 21.922 -8.273 -2.064 1.00 0.00 C ATOM 658 CG ASP B 42 22.099 -7.733 -0.651 1.00 0.00 C ATOM 659 OD1 ASP B 42 23.252 -7.394 -0.308 1.00 0.00 O ATOM 660 OD2 ASP B 42 21.081 -7.666 0.072 1.00 0.00 O ATOM 0 H ASP B 42 20.900 -8.709 -4.178 1.00 0.00 H new ATOM 0 HA ASP B 42 21.079 -6.367 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP B 42 21.072 -8.955 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP B 42 22.802 -8.850 -2.346 1.00 0.00 H new ATOM 665 N ARG B 43 23.515 -5.572 -2.611 1.00 0.00 N ATOM 666 CA ARG B 43 24.757 -4.849 -2.856 1.00 0.00 C ATOM 667 C ARG B 43 25.943 -5.536 -2.185 1.00 0.00 C ATOM 668 O ARG B 43 27.086 -5.336 -2.586 1.00 0.00 O ATOM 669 CB ARG B 43 24.586 -3.419 -2.342 1.00 0.00 C ATOM 670 CG ARG B 43 25.749 -2.523 -2.778 1.00 0.00 C ATOM 671 CD ARG B 43 25.607 -1.143 -2.143 1.00 0.00 C ATOM 672 NE ARG B 43 25.805 -1.215 -0.689 1.00 0.00 N ATOM 673 CZ ARG B 43 25.456 -0.260 0.172 1.00 0.00 C ATOM 674 NH1 ARG B 43 24.876 0.865 -0.243 1.00 0.00 N ATOM 675 NH2 ARG B 43 25.686 -0.428 1.473 1.00 0.00 N ATOM 0 H ARG B 43 23.049 -5.308 -1.743 1.00 0.00 H new ATOM 0 HA ARG B 43 24.968 -4.837 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG B 43 23.648 -3.007 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG B 43 24.520 -3.428 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG B 43 26.697 -2.973 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG B 43 25.763 -2.433 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG B 43 26.335 -0.460 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG B 43 24.619 -0.738 -2.360 1.00 0.00 H new ATOM 0 HE ARG B 43 26.241 -2.056 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG B 43 24.691 1.007 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG B 43 24.616 1.584 0.432 1.00 0.00 H new ATOM 0 HH21 ARG B 43 26.128 -1.285 1.806 1.00 0.00 H new ATOM 0 HH22 ARG B 43 25.421 0.300 2.136 1.00 0.00 H new ATOM 689 N GLU B 44 25.671 -6.346 -1.161 1.00 0.00 N ATOM 690 CA GLU B 44 26.710 -6.979 -0.358 1.00 0.00 C ATOM 691 C GLU B 44 26.913 -8.446 -0.734 1.00 0.00 C ATOM 692 O GLU B 44 27.921 -9.042 -0.356 1.00 0.00 O ATOM 693 CB GLU B 44 26.350 -6.855 1.124 1.00 0.00 C ATOM 694 CG GLU B 44 26.070 -5.410 1.541 1.00 0.00 C ATOM 695 CD GLU B 44 27.244 -4.479 1.235 1.00 0.00 C ATOM 696 OE1 GLU B 44 28.384 -4.850 1.586 1.00 0.00 O ATOM 697 OE2 GLU B 44 26.987 -3.402 0.650 1.00 0.00 O ATOM 0 H GLU B 44 24.723 -6.580 -0.867 1.00 0.00 H new ATOM 0 HA GLU B 44 27.651 -6.466 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU B 44 25.472 -7.467 1.334 1.00 0.00 H new ATOM 0 HB3 GLU B 44 27.167 -7.252 1.727 1.00 0.00 H new ATOM 0 HG2 GLU B 44 25.180 -5.051 1.024 1.00 0.00 H new ATOM 0 HG3 GLU B 44 25.853 -5.378 2.609 1.00 0.00 H new ATOM 704 N THR B 45 25.965 -9.029 -1.471 1.00 0.00 N ATOM 705 CA THR B 45 26.059 -10.416 -1.922 1.00 0.00 C ATOM 706 C THR B 45 25.902 -10.505 -3.428 1.00 0.00 C ATOM 707 O THR B 45 26.232 -11.534 -4.014 1.00 0.00 O ATOM 708 CB THR B 45 24.994 -11.276 -1.241 1.00 0.00 C ATOM 709 OG1 THR B 45 23.722 -10.956 -1.747 1.00 0.00 O ATOM 710 CG2 THR B 45 25.000 -11.015 0.258 1.00 0.00 C ATOM 0 H THR B 45 25.114 -8.553 -1.770 1.00 0.00 H new ATOM 0 HA THR B 45 27.046 -10.790 -1.649 1.00 0.00 H new ATOM 0 HB THR B 45 25.217 -12.325 -1.437 1.00 0.00 H new ATOM 0 HG1 THR B 45 23.046 -11.512 -1.307 1.00 0.00 H new ATOM 0 HG21 THR B 45 24.239 -11.631 0.738 1.00 0.00 H new ATOM 0 HG22 THR B 45 25.979 -11.264 0.667 1.00 0.00 H new ATOM 0 HG23 THR B 45 24.786 -9.963 0.445 1.00 0.00 H new ATOM 718 N ASN B 46 25.402 -9.432 -4.052 1.00 0.00 N ATOM 719 CA ASN B 46 25.218 -9.385 -5.488 1.00 0.00 C ATOM 720 C ASN B 46 24.242 -10.462 -5.970 1.00 0.00 C ATOM 721 O ASN B 46 24.076 -10.665 -7.171 1.00 0.00 O ATOM 722 CB ASN B 46 26.596 -9.472 -6.149 1.00 0.00 C ATOM 723 CG ASN B 46 26.669 -8.741 -7.484 1.00 0.00 C ATOM 724 OD1 ASN B 46 25.720 -8.095 -7.920 1.00 0.00 O ATOM 725 ND2 ASN B 46 27.815 -8.838 -8.151 1.00 0.00 N ATOM 0 H ASN B 46 25.118 -8.580 -3.568 1.00 0.00 H new ATOM 0 HA ASN B 46 24.754 -8.442 -5.779 1.00 0.00 H new ATOM 0 HB2 ASN B 46 27.343 -9.056 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN B 46 26.853 -10.520 -6.302 1.00 0.00 H new ATOM 0 HD21 ASN B 46 27.923 -8.369 -9.050 1.00 0.00 H new ATOM 0 HD22 ASN B 46 28.586 -9.382 -7.764 1.00 0.00 H new ATOM 732 N LYS B 47 23.596 -11.153 -5.024 1.00 0.00 N ATOM 733 CA LYS B 47 22.594 -12.162 -5.312 1.00 0.00 C ATOM 734 C LYS B 47 21.278 -11.467 -5.582 1.00 0.00 C ATOM 735 O LYS B 47 20.997 -10.422 -5.000 1.00 0.00 O ATOM 736 CB LYS B 47 22.442 -13.104 -4.117 1.00 0.00 C ATOM 737 CG LYS B 47 23.609 -14.089 -4.048 1.00 0.00 C ATOM 738 CD LYS B 47 23.235 -15.429 -4.684 1.00 0.00 C ATOM 739 CE LYS B 47 22.286 -16.184 -3.753 1.00 0.00 C ATOM 740 NZ LYS B 47 21.945 -17.510 -4.300 1.00 0.00 N ATOM 0 H LYS B 47 23.763 -11.019 -4.027 1.00 0.00 H new ATOM 0 HA LYS B 47 22.896 -12.746 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS B 47 22.395 -12.524 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS B 47 21.503 -13.651 -4.197 1.00 0.00 H new ATOM 0 HG2 LYS B 47 24.475 -13.669 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS B 47 23.898 -14.244 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS B 47 22.760 -15.265 -5.651 1.00 0.00 H new ATOM 0 HD3 LYS B 47 24.132 -16.021 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS B 47 22.750 -16.300 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS B 47 21.376 -15.602 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 21.760 -18.171 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 21.096 -17.432 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 22.738 -17.864 -4.872 1.00 0.00 H new ATOM 754 N SER B 48 20.468 -12.048 -6.464 1.00 0.00 N ATOM 755 CA SER B 48 19.165 -11.489 -6.758 1.00 0.00 C ATOM 756 C SER B 48 18.361 -11.348 -5.472 1.00 0.00 C ATOM 757 O SER B 48 18.475 -12.169 -4.559 1.00 0.00 O ATOM 758 CB SER B 48 18.429 -12.380 -7.747 1.00 0.00 C ATOM 759 OG SER B 48 17.136 -11.872 -8.001 1.00 0.00 O ATOM 0 H SER B 48 20.694 -12.898 -6.980 1.00 0.00 H new ATOM 0 HA SER B 48 19.291 -10.502 -7.204 1.00 0.00 H new ATOM 0 HB2 SER B 48 18.992 -12.442 -8.679 1.00 0.00 H new ATOM 0 HB3 SER B 48 18.357 -13.393 -7.350 1.00 0.00 H new ATOM 0 HG SER B 48 17.160 -10.892 -7.981 1.00 0.00 H new ATOM 765 N ARG B 49 17.540 -10.300 -5.410 1.00 0.00 N ATOM 766 CA ARG B 49 16.627 -10.062 -4.305 1.00 0.00 C ATOM 767 C ARG B 49 15.553 -11.148 -4.302 1.00 0.00 C ATOM 768 O ARG B 49 14.765 -11.240 -3.360 1.00 0.00 O ATOM 769 CB ARG B 49 15.963 -8.707 -4.513 1.00 0.00 C ATOM 770 CG ARG B 49 16.918 -7.512 -4.415 1.00 0.00 C ATOM 771 CD ARG B 49 17.139 -7.045 -2.980 1.00 0.00 C ATOM 772 NE ARG B 49 15.877 -6.685 -2.319 1.00 0.00 N ATOM 773 CZ ARG B 49 15.345 -5.458 -2.282 1.00 0.00 C ATOM 774 NH1 ARG B 49 15.951 -4.430 -2.865 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.191 -5.262 -1.653 1.00 0.00 N ATOM 0 H ARG B 49 17.494 -9.587 -6.138 1.00 0.00 H new ATOM 0 HA ARG B 49 17.167 -10.078 -3.358 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.486 -8.696 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.172 -8.586 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG B 49 17.878 -7.783 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.519 -6.686 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.633 -7.835 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG B 49 17.808 -6.185 -2.977 1.00 0.00 H new ATOM 0 HE ARG B 49 15.365 -7.432 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG B 49 16.837 -4.569 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.531 -3.501 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG B 49 13.717 -6.044 -1.202 1.00 0.00 H new ATOM 0 HH22 ARG B 49 13.780 -4.329 -1.621 1.00 0.00 H new ATOM 789 N GLY B 50 15.526 -11.967 -5.361 1.00 0.00 N ATOM 790 CA GLY B 50 14.527 -12.996 -5.564 1.00 0.00 C ATOM 791 C GLY B 50 13.344 -12.454 -6.358 1.00 0.00 C ATOM 792 O GLY B 50 12.400 -13.187 -6.625 1.00 0.00 O ATOM 0 H GLY B 50 16.217 -11.923 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.970 -13.840 -6.093 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.183 -13.370 -4.600 1.00 0.00 H new ATOM 796 N PHE B 51 13.384 -11.173 -6.742 1.00 0.00 N ATOM 797 CA PHE B 51 12.347 -10.602 -7.580 1.00 0.00 C ATOM 798 C PHE B 51 12.943 -9.680 -8.639 1.00 0.00 C ATOM 799 O PHE B 51 14.084 -9.233 -8.526 1.00 0.00 O ATOM 800 CB PHE B 51 11.314 -9.885 -6.715 1.00 0.00 C ATOM 801 CG PHE B 51 11.828 -8.664 -5.997 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.471 -8.786 -4.757 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.642 -7.398 -6.569 1.00 0.00 C ATOM 804 CE1 PHE B 51 12.909 -7.639 -4.080 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.065 -6.254 -5.887 1.00 0.00 C ATOM 806 CZ PHE B 51 12.713 -6.375 -4.647 1.00 0.00 C ATOM 0 H PHE B 51 14.125 -10.522 -6.482 1.00 0.00 H new ATOM 0 HA PHE B 51 11.840 -11.407 -8.112 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.474 -9.592 -7.345 1.00 0.00 H new ATOM 0 HB3 PHE B 51 10.929 -10.588 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.629 -9.763 -4.324 1.00 0.00 H new ATOM 0 HD2 PHE B 51 11.172 -7.307 -7.537 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.397 -7.731 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.894 -5.277 -6.314 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.060 -5.492 -4.131 1.00 0.00 H new ATOM 816 N ALA B 52 12.157 -9.401 -9.678 1.00 0.00 N ATOM 817 CA ALA B 52 12.601 -8.620 -10.816 1.00 0.00 C ATOM 818 C ALA B 52 11.421 -7.891 -11.456 1.00 0.00 C ATOM 819 O ALA B 52 10.289 -8.000 -10.983 1.00 0.00 O ATOM 820 CB ALA B 52 13.242 -9.581 -11.816 1.00 0.00 C ATOM 0 H ALA B 52 11.189 -9.716 -9.748 1.00 0.00 H new ATOM 0 HA ALA B 52 13.321 -7.865 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.588 -9.023 -12.686 1.00 0.00 H new ATOM 0 HB2 ALA B 52 14.088 -10.083 -11.347 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.508 -10.323 -12.129 1.00 0.00 H new ATOM 826 N PHE B 53 11.686 -7.149 -12.533 1.00 0.00 N ATOM 827 CA PHE B 53 10.656 -6.424 -13.265 1.00 0.00 C ATOM 828 C PHE B 53 10.925 -6.523 -14.762 1.00 0.00 C ATOM 829 O PHE B 53 12.034 -6.847 -15.179 1.00 0.00 O ATOM 830 CB PHE B 53 10.598 -4.956 -12.816 1.00 0.00 C ATOM 831 CG PHE B 53 10.332 -4.743 -11.349 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.371 -4.939 -10.432 1.00 0.00 C ATOM 833 CD2 PHE B 53 9.066 -4.339 -10.908 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.142 -4.745 -9.067 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.838 -4.140 -9.541 1.00 0.00 C ATOM 836 CZ PHE B 53 9.875 -4.345 -8.621 1.00 0.00 C ATOM 0 H PHE B 53 12.623 -7.036 -12.919 1.00 0.00 H new ATOM 0 HA PHE B 53 9.687 -6.874 -13.050 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.544 -4.478 -13.070 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.820 -4.449 -13.387 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.349 -5.240 -10.779 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.269 -4.182 -11.619 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.940 -4.903 -8.357 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.863 -3.829 -9.196 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.698 -4.194 -7.566 1.00 0.00 H new ATOM 846 N VAL B 54 9.913 -6.239 -15.581 1.00 0.00 N ATOM 847 CA VAL B 54 10.053 -6.253 -17.030 1.00 0.00 C ATOM 848 C VAL B 54 9.044 -5.300 -17.645 1.00 0.00 C ATOM 849 O VAL B 54 7.922 -5.203 -17.159 1.00 0.00 O ATOM 850 CB VAL B 54 9.868 -7.677 -17.573 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.626 -8.349 -17.054 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.855 -7.716 -19.102 1.00 0.00 C ATOM 0 H VAL B 54 8.978 -5.994 -15.257 1.00 0.00 H new ATOM 0 HA VAL B 54 11.056 -5.923 -17.299 1.00 0.00 H new ATOM 0 HB VAL B 54 10.734 -8.230 -17.208 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.552 -9.352 -17.474 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.675 -8.414 -15.967 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.750 -7.769 -17.344 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.722 -8.744 -19.439 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.034 -7.103 -19.475 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.800 -7.329 -19.484 1.00 0.00 H new ATOM 862 N THR B 55 9.442 -4.601 -18.710 1.00 0.00 N ATOM 863 CA THR B 55 8.556 -3.696 -19.425 1.00 0.00 C ATOM 864 C THR B 55 8.300 -4.220 -20.833 1.00 0.00 C ATOM 865 O THR B 55 9.237 -4.413 -21.610 1.00 0.00 O ATOM 866 CB THR B 55 9.125 -2.279 -19.485 1.00 0.00 C ATOM 867 OG1 THR B 55 9.434 -1.832 -18.182 1.00 0.00 O ATOM 868 CG2 THR B 55 8.077 -1.343 -20.089 1.00 0.00 C ATOM 0 H THR B 55 10.385 -4.650 -19.096 1.00 0.00 H new ATOM 0 HA THR B 55 7.614 -3.651 -18.879 1.00 0.00 H new ATOM 0 HB THR B 55 10.028 -2.280 -20.096 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.800 -0.924 -18.226 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.477 -0.330 -20.135 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.825 -1.679 -21.095 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.181 -1.352 -19.469 1.00 0.00 H new ATOM 876 N PHE B 56 7.022 -4.444 -21.143 1.00 0.00 N ATOM 877 CA PHE B 56 6.570 -4.831 -22.464 1.00 0.00 C ATOM 878 C PHE B 56 6.192 -3.604 -23.286 1.00 0.00 C ATOM 879 O PHE B 56 5.872 -2.555 -22.729 1.00 0.00 O ATOM 880 CB PHE B 56 5.356 -5.742 -22.316 1.00 0.00 C ATOM 881 CG PHE B 56 5.671 -7.120 -21.786 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.186 -7.313 -20.492 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.436 -8.221 -22.614 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.464 -8.607 -20.034 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.687 -9.513 -22.147 1.00 0.00 C ATOM 886 CZ PHE B 56 6.188 -9.711 -20.851 1.00 0.00 C ATOM 0 H PHE B 56 6.265 -4.358 -20.465 1.00 0.00 H new ATOM 0 HA PHE B 56 7.375 -5.353 -22.981 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.638 -5.265 -21.649 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.871 -5.842 -23.287 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.367 -6.463 -19.851 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.060 -8.073 -23.616 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.890 -8.753 -19.053 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.495 -10.363 -22.785 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.360 -10.712 -20.484 1.00 0.00 H new ATOM 896 N GLU B 57 6.225 -3.732 -24.615 1.00 0.00 N ATOM 897 CA GLU B 57 5.780 -2.660 -25.490 1.00 0.00 C ATOM 898 C GLU B 57 4.260 -2.636 -25.568 1.00 0.00 C ATOM 899 O GLU B 57 3.683 -1.591 -25.869 1.00 0.00 O ATOM 900 CB GLU B 57 6.361 -2.856 -26.885 1.00 0.00 C ATOM 901 CG GLU B 57 7.189 -1.643 -27.303 1.00 0.00 C ATOM 902 CD GLU B 57 7.700 -1.789 -28.735 1.00 0.00 C ATOM 903 OE1 GLU B 57 6.851 -1.994 -29.631 1.00 0.00 O ATOM 904 OE2 GLU B 57 8.933 -1.694 -28.924 1.00 0.00 O ATOM 0 H GLU B 57 6.555 -4.566 -25.101 1.00 0.00 H new ATOM 0 HA GLU B 57 6.127 -1.711 -25.083 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.984 -3.750 -26.902 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.554 -3.015 -27.601 1.00 0.00 H new ATOM 0 HG2 GLU B 57 6.584 -0.740 -27.221 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.033 -1.524 -26.623 1.00 0.00 H new ATOM 911 N SER B 58 3.602 -3.770 -25.297 1.00 0.00 N ATOM 912 CA SER B 58 2.154 -3.807 -25.246 1.00 0.00 C ATOM 913 C SER B 58 1.711 -4.106 -23.825 1.00 0.00 C ATOM 914 O SER B 58 2.300 -4.958 -23.159 1.00 0.00 O ATOM 915 CB SER B 58 1.630 -4.839 -26.241 1.00 0.00 C ATOM 916 OG SER B 58 0.240 -5.021 -26.065 1.00 0.00 O ATOM 0 H SER B 58 4.056 -4.665 -25.112 1.00 0.00 H new ATOM 0 HA SER B 58 1.739 -2.840 -25.530 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.835 -4.510 -27.260 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.149 -5.787 -26.101 1.00 0.00 H new ATOM 0 HG SER B 58 -0.087 -5.683 -26.709 1.00 0.00 H new ATOM 922 N PRO B 59 0.674 -3.417 -23.342 1.00 0.00 N ATOM 923 CA PRO B 59 0.193 -3.586 -21.991 1.00 0.00 C ATOM 924 C PRO B 59 -0.573 -4.892 -21.860 1.00 0.00 C ATOM 925 O PRO B 59 -0.926 -5.271 -20.748 1.00 0.00 O ATOM 926 CB PRO B 59 -0.743 -2.405 -21.766 1.00 0.00 C ATOM 927 CG PRO B 59 -1.338 -2.208 -23.152 1.00 0.00 C ATOM 928 CD PRO B 59 -0.124 -2.432 -24.049 1.00 0.00 C ATOM 0 HA PRO B 59 1.005 -3.620 -21.265 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.507 -2.626 -21.021 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.208 -1.520 -21.421 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.136 -2.921 -23.359 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.760 -1.211 -23.277 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.420 -2.794 -25.034 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.432 -1.507 -24.203 1.00 0.00 H new ATOM 936 N ALA B 60 -0.833 -5.578 -22.979 1.00 0.00 N ATOM 937 CA ALA B 60 -1.600 -6.811 -22.975 1.00 0.00 C ATOM 938 C ALA B 60 -0.719 -8.000 -23.337 1.00 0.00 C ATOM 939 O ALA B 60 -1.113 -9.141 -23.117 1.00 0.00 O ATOM 940 CB ALA B 60 -2.797 -6.668 -23.908 1.00 0.00 C ATOM 0 H ALA B 60 -0.516 -5.289 -23.904 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.978 -7.002 -21.971 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.373 -7.593 -23.905 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.428 -5.847 -23.567 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.447 -6.461 -24.919 1.00 0.00 H new ATOM 946 N ASP B 61 0.469 -7.742 -23.888 1.00 0.00 N ATOM 947 CA ASP B 61 1.463 -8.787 -24.048 1.00 0.00 C ATOM 948 C ASP B 61 1.994 -9.122 -22.656 1.00 0.00 C ATOM 949 O ASP B 61 2.422 -10.244 -22.397 1.00 0.00 O ATOM 950 CB ASP B 61 2.595 -8.287 -24.937 1.00 0.00 C ATOM 951 CG ASP B 61 2.217 -8.212 -26.416 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.057 -8.538 -26.752 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.106 -7.821 -27.206 1.00 0.00 O ATOM 0 H ASP B 61 0.758 -6.824 -24.226 1.00 0.00 H new ATOM 0 HA ASP B 61 1.030 -9.671 -24.516 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.904 -7.298 -24.598 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.455 -8.946 -24.822 1.00 0.00 H new ATOM 958 N ALA B 62 1.955 -8.129 -21.763 1.00 0.00 N ATOM 959 CA ALA B 62 2.324 -8.312 -20.374 1.00 0.00 C ATOM 960 C ALA B 62 1.196 -8.999 -19.613 1.00 0.00 C ATOM 961 O ALA B 62 1.459 -9.742 -18.671 1.00 0.00 O ATOM 962 CB ALA B 62 2.629 -6.947 -19.767 1.00 0.00 C ATOM 0 H ALA B 62 1.665 -7.178 -21.992 1.00 0.00 H new ATOM 0 HA ALA B 62 3.208 -8.947 -20.306 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.909 -7.068 -18.720 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.452 -6.483 -20.311 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.745 -6.313 -19.835 1.00 0.00 H new ATOM 968 N LYS B 63 -0.062 -8.763 -20.010 1.00 0.00 N ATOM 969 CA LYS B 63 -1.194 -9.450 -19.402 1.00 0.00 C ATOM 970 C LYS B 63 -1.144 -10.917 -19.784 1.00 0.00 C ATOM 971 O LYS B 63 -1.436 -11.779 -18.966 1.00 0.00 O ATOM 972 CB LYS B 63 -2.517 -8.862 -19.900 1.00 0.00 C ATOM 973 CG LYS B 63 -2.756 -7.466 -19.322 1.00 0.00 C ATOM 974 CD LYS B 63 -3.981 -6.789 -19.945 1.00 0.00 C ATOM 975 CE LYS B 63 -5.239 -7.627 -19.699 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.432 -6.992 -20.296 1.00 0.00 N ATOM 0 H LYS B 63 -0.314 -8.104 -20.746 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.135 -9.329 -18.320 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.508 -8.811 -20.989 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.339 -9.520 -19.619 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.892 -7.539 -18.243 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.875 -6.848 -19.492 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.110 -5.794 -19.519 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.827 -6.659 -21.016 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.104 -8.622 -20.122 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.390 -7.754 -18.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.268 -7.583 -20.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.573 -6.052 -19.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.296 -6.893 -21.322 1.00 0.00 H new ATOM 990 N ASP B 64 -0.772 -11.207 -21.030 1.00 0.00 N ATOM 991 CA ASP B 64 -0.746 -12.571 -21.519 1.00 0.00 C ATOM 992 C ASP B 64 0.348 -13.362 -20.817 1.00 0.00 C ATOM 993 O ASP B 64 0.201 -14.561 -20.593 1.00 0.00 O ATOM 994 CB ASP B 64 -0.490 -12.530 -23.023 1.00 0.00 C ATOM 995 CG ASP B 64 -0.731 -13.893 -23.668 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.882 -14.380 -23.569 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.230 -14.440 -24.251 1.00 0.00 O ATOM 0 H ASP B 64 -0.485 -10.508 -21.716 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.697 -13.062 -21.315 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.141 -11.788 -23.484 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.536 -12.214 -23.210 1.00 0.00 H new ATOM 1002 N ALA B 65 1.445 -12.687 -20.465 1.00 0.00 N ATOM 1003 CA ALA B 65 2.505 -13.311 -19.694 1.00 0.00 C ATOM 1004 C ALA B 65 2.075 -13.441 -18.239 1.00 0.00 C ATOM 1005 O ALA B 65 2.280 -14.478 -17.615 1.00 0.00 O ATOM 1006 CB ALA B 65 3.777 -12.470 -19.790 1.00 0.00 C ATOM 0 H ALA B 65 1.616 -11.710 -20.705 1.00 0.00 H new ATOM 0 HA ALA B 65 2.705 -14.304 -20.095 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.570 -12.942 -19.210 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.086 -12.395 -20.833 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.584 -11.472 -19.396 1.00 0.00 H new ATOM 1012 N ALA B 66 1.469 -12.387 -17.690 1.00 0.00 N ATOM 1013 CA ALA B 66 1.058 -12.374 -16.299 1.00 0.00 C ATOM 1014 C ALA B 66 -0.147 -13.295 -16.075 1.00 0.00 C ATOM 1015 O ALA B 66 -0.565 -13.509 -14.941 1.00 0.00 O ATOM 1016 CB ALA B 66 0.768 -10.926 -15.896 1.00 0.00 C ATOM 0 H ALA B 66 1.254 -11.529 -18.198 1.00 0.00 H new ATOM 0 HA ALA B 66 1.856 -12.762 -15.665 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.457 -10.894 -14.852 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.668 -10.325 -16.025 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.028 -10.526 -16.524 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.702 -13.837 -17.163 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.771 -14.826 -17.133 1.00 0.00 C ATOM 1024 C ARG B 67 -1.277 -16.226 -17.496 1.00 0.00 C ATOM 1025 O ARG B 67 -2.094 -17.141 -17.603 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.876 -14.387 -18.097 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.600 -13.156 -17.550 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.487 -12.511 -18.618 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.541 -13.424 -19.082 1.00 0.00 N ATOM 1030 CZ ARG B 67 -6.710 -13.609 -18.461 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -7.002 -12.955 -17.336 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -7.599 -14.458 -18.966 1.00 0.00 N ATOM 0 H ARG B 67 -0.410 -13.591 -18.109 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.155 -14.883 -16.115 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.447 -14.161 -19.073 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.587 -15.201 -18.241 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.209 -13.441 -16.692 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.869 -12.430 -17.194 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.942 -11.607 -18.214 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.872 -12.207 -19.465 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.369 -13.953 -19.937 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -6.328 -12.302 -16.936 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -7.899 -13.108 -16.875 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -7.388 -14.966 -19.825 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -8.492 -14.602 -18.495 1.00 0.00 H new ATOM 1046 N ASP B 68 0.034 -16.412 -17.689 1.00 0.00 N ATOM 1047 CA ASP B 68 0.585 -17.678 -18.124 1.00 0.00 C ATOM 1048 C ASP B 68 1.694 -18.095 -17.182 1.00 0.00 C ATOM 1049 O ASP B 68 1.697 -19.198 -16.643 1.00 0.00 O ATOM 1050 CB ASP B 68 1.211 -17.452 -19.495 1.00 0.00 C ATOM 1051 CG ASP B 68 0.345 -17.994 -20.630 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.841 -17.600 -20.701 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.878 -18.807 -21.421 1.00 0.00 O ATOM 0 H ASP B 68 0.733 -15.683 -17.545 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.193 -18.441 -18.148 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.374 -16.385 -19.645 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.189 -17.932 -19.528 1.00 0.00 H new ATOM 1058 N MET B 69 2.632 -17.170 -17.008 1.00 0.00 N ATOM 1059 CA MET B 69 3.831 -17.323 -16.223 1.00 0.00 C ATOM 1060 C MET B 69 3.579 -17.084 -14.738 1.00 0.00 C ATOM 1061 O MET B 69 4.450 -17.357 -13.915 1.00 0.00 O ATOM 1062 CB MET B 69 4.818 -16.308 -16.781 1.00 0.00 C ATOM 1063 CG MET B 69 5.722 -16.918 -17.846 1.00 0.00 C ATOM 1064 SD MET B 69 6.728 -18.325 -17.318 1.00 0.00 S ATOM 1065 CE MET B 69 7.589 -17.491 -15.967 1.00 0.00 C ATOM 0 H MET B 69 2.563 -16.248 -17.438 1.00 0.00 H new ATOM 0 HA MET B 69 4.213 -18.342 -16.291 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.271 -15.467 -17.208 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.429 -15.912 -15.970 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.101 -17.234 -18.684 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.388 -16.140 -18.219 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.604 -17.880 -15.888 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.625 -16.420 -16.165 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.058 -17.670 -15.032 1.00 0.00 H new ATOM 1075 N ASN B 70 2.397 -16.576 -14.378 1.00 0.00 N ATOM 1076 CA ASN B 70 2.074 -16.352 -12.982 1.00 0.00 C ATOM 1077 C ASN B 70 1.786 -17.690 -12.302 1.00 0.00 C ATOM 1078 O ASN B 70 0.944 -18.459 -12.766 1.00 0.00 O ATOM 1079 CB ASN B 70 0.888 -15.392 -12.886 1.00 0.00 C ATOM 1080 CG ASN B 70 0.569 -15.015 -11.444 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.387 -15.199 -10.547 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.628 -14.482 -11.214 1.00 0.00 N ATOM 0 H ASN B 70 1.660 -16.317 -15.033 1.00 0.00 H new ATOM 0 HA ASN B 70 2.917 -15.895 -12.465 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.106 -14.489 -13.456 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.012 -15.853 -13.342 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.892 -14.211 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.282 -14.344 -11.985 1.00 0.00 H new ATOM 1089 N GLY B 71 2.489 -17.963 -11.201 1.00 0.00 N ATOM 1090 CA GLY B 71 2.321 -19.193 -10.438 1.00 0.00 C ATOM 1091 C GLY B 71 3.189 -20.322 -10.995 1.00 0.00 C ATOM 1092 O GLY B 71 3.263 -21.393 -10.389 1.00 0.00 O ATOM 0 H GLY B 71 3.192 -17.333 -10.815 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.581 -19.014 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.274 -19.494 -10.458 1.00 0.00 H new ATOM 1096 N LYS B 72 3.847 -20.095 -12.136 1.00 0.00 N ATOM 1097 CA LYS B 72 4.803 -21.009 -12.717 1.00 0.00 C ATOM 1098 C LYS B 72 6.139 -20.842 -12.019 1.00 0.00 C ATOM 1099 O LYS B 72 6.199 -20.421 -10.867 1.00 0.00 O ATOM 1100 CB LYS B 72 4.921 -20.691 -14.198 1.00 0.00 C ATOM 1101 CG LYS B 72 3.571 -20.698 -14.917 1.00 0.00 C ATOM 1102 CD LYS B 72 2.859 -22.044 -14.759 1.00 0.00 C ATOM 1103 CE LYS B 72 1.554 -22.028 -15.553 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.833 -23.308 -15.429 1.00 0.00 N ATOM 0 H LYS B 72 3.718 -19.246 -12.686 1.00 0.00 H new ATOM 0 HA LYS B 72 4.481 -22.043 -12.595 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.386 -19.713 -14.319 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.582 -21.418 -14.669 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.941 -19.903 -14.518 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.720 -20.486 -15.976 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.502 -22.851 -15.112 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.654 -22.237 -13.706 1.00 0.00 H new ATOM 0 HE2 LYS B 72 0.920 -21.216 -15.198 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.768 -21.829 -16.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.048 -23.265 -15.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.430 -24.079 -15.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.608 -23.484 -14.429 1.00 0.00 H new ATOM 1118 N SER B 73 7.211 -21.176 -12.729 1.00 0.00 N ATOM 1119 CA SER B 73 8.550 -21.209 -12.175 1.00 0.00 C ATOM 1120 C SER B 73 9.582 -20.616 -13.115 1.00 0.00 C ATOM 1121 O SER B 73 9.374 -20.510 -14.320 1.00 0.00 O ATOM 1122 CB SER B 73 8.845 -22.670 -11.869 1.00 0.00 C ATOM 1123 OG SER B 73 10.089 -22.826 -11.226 1.00 0.00 O ATOM 0 H SER B 73 7.169 -21.433 -13.715 1.00 0.00 H new ATOM 0 HA SER B 73 8.606 -20.595 -11.276 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.055 -23.076 -11.237 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.839 -23.244 -12.795 1.00 0.00 H new ATOM 0 HG SER B 73 10.246 -23.776 -11.043 1.00 0.00 H new ATOM 1129 N LEU B 74 10.710 -20.231 -12.519 1.00 0.00 N ATOM 1130 CA LEU B 74 11.849 -19.711 -13.245 1.00 0.00 C ATOM 1131 C LEU B 74 13.085 -20.402 -12.723 1.00 0.00 C ATOM 1132 O LEU B 74 13.326 -20.401 -11.517 1.00 0.00 O ATOM 1133 CB LEU B 74 12.025 -18.214 -13.013 1.00 0.00 C ATOM 1134 CG LEU B 74 12.355 -17.435 -14.284 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.506 -18.024 -15.097 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.113 -17.380 -15.162 1.00 0.00 C ATOM 0 H LEU B 74 10.852 -20.275 -11.510 1.00 0.00 H new ATOM 0 HA LEU B 74 11.692 -19.886 -14.309 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.110 -17.812 -12.577 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.820 -18.058 -12.284 1.00 0.00 H new ATOM 0 HG LEU B 74 12.676 -16.444 -13.965 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.676 -17.412 -15.983 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.410 -18.041 -14.488 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.254 -19.040 -15.401 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.336 -16.826 -16.074 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.804 -18.393 -15.420 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.308 -16.882 -14.622 1.00 0.00 H new ATOM 1148 N ASP B 75 13.859 -20.982 -13.635 1.00 0.00 N ATOM 1149 CA ASP B 75 15.100 -21.662 -13.326 1.00 0.00 C ATOM 1150 C ASP B 75 14.942 -22.858 -12.390 1.00 0.00 C ATOM 1151 O ASP B 75 15.824 -23.712 -12.324 1.00 0.00 O ATOM 1152 CB ASP B 75 16.059 -20.627 -12.743 1.00 0.00 C ATOM 1153 CG ASP B 75 17.518 -20.917 -13.090 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.086 -21.865 -12.505 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.059 -20.182 -13.946 1.00 0.00 O ATOM 0 H ASP B 75 13.631 -20.989 -14.629 1.00 0.00 H new ATOM 0 HA ASP B 75 15.492 -22.092 -14.248 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.791 -19.638 -13.115 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.945 -20.602 -11.659 1.00 0.00 H new ATOM 1160 N GLY B 76 13.828 -22.930 -11.664 1.00 0.00 N ATOM 1161 CA GLY B 76 13.570 -24.040 -10.781 1.00 0.00 C ATOM 1162 C GLY B 76 12.682 -23.670 -9.595 1.00 0.00 C ATOM 1163 O GLY B 76 12.265 -24.559 -8.854 1.00 0.00 O ATOM 0 H GLY B 76 13.093 -22.223 -11.678 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.096 -24.843 -11.346 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.518 -24.429 -10.410 1.00 0.00 H new ATOM 1167 N LYS B 77 12.389 -22.374 -9.400 1.00 0.00 N ATOM 1168 CA LYS B 77 11.638 -21.904 -8.243 1.00 0.00 C ATOM 1169 C LYS B 77 10.382 -21.165 -8.684 1.00 0.00 C ATOM 1170 O LYS B 77 10.415 -20.389 -9.637 1.00 0.00 O ATOM 1171 CB LYS B 77 12.515 -21.006 -7.367 1.00 0.00 C ATOM 1172 CG LYS B 77 13.838 -21.682 -7.002 1.00 0.00 C ATOM 1173 CD LYS B 77 13.647 -22.950 -6.167 1.00 0.00 C ATOM 1174 CE LYS B 77 14.950 -23.744 -6.083 1.00 0.00 C ATOM 1175 NZ LYS B 77 16.041 -22.941 -5.495 1.00 0.00 N ATOM 0 H LYS B 77 12.668 -21.632 -10.042 1.00 0.00 H new ATOM 0 HA LYS B 77 11.334 -22.769 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.717 -20.072 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS B 77 11.975 -20.749 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.377 -21.932 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.459 -20.978 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.312 -22.684 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS B 77 12.866 -23.569 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS B 77 14.792 -24.640 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.239 -24.076 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.787 -23.574 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 16.437 -22.310 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 15.668 -22.373 -4.708 1.00 0.00 H new ATOM 1189 N ALA B 78 9.274 -21.414 -7.984 1.00 0.00 N ATOM 1190 CA ALA B 78 7.980 -20.866 -8.346 1.00 0.00 C ATOM 1191 C ALA B 78 7.920 -19.357 -8.121 1.00 0.00 C ATOM 1192 O ALA B 78 8.429 -18.852 -7.120 1.00 0.00 O ATOM 1193 CB ALA B 78 6.886 -21.595 -7.575 1.00 0.00 C ATOM 0 H ALA B 78 9.256 -22.002 -7.151 1.00 0.00 H new ATOM 0 HA ALA B 78 7.821 -21.022 -9.413 1.00 0.00 H new ATOM 0 HB1 ALA B 78 5.914 -21.184 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA B 78 6.913 -22.656 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.048 -21.467 -6.505 1.00 0.00 H new ATOM 1199 N ILE B 79 7.292 -18.645 -9.059 1.00 0.00 N ATOM 1200 CA ILE B 79 7.227 -17.190 -9.046 1.00 0.00 C ATOM 1201 C ILE B 79 5.802 -16.648 -9.021 1.00 0.00 C ATOM 1202 O ILE B 79 4.825 -17.394 -9.078 1.00 0.00 O ATOM 1203 CB ILE B 79 7.943 -16.622 -10.278 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.145 -16.909 -11.558 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.359 -17.177 -10.389 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.713 -16.134 -12.745 1.00 0.00 C ATOM 0 H ILE B 79 6.812 -19.069 -9.853 1.00 0.00 H new ATOM 0 HA ILE B 79 7.717 -16.874 -8.125 1.00 0.00 H new ATOM 0 HB ILE B 79 8.011 -15.541 -10.157 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.168 -17.977 -11.773 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.100 -16.636 -11.408 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.846 -16.759 -11.270 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.927 -16.907 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.318 -18.263 -10.477 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.129 -16.356 -13.638 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.666 -15.065 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.750 -16.427 -12.908 1.00 0.00 H new ATOM 1218 N LYS B 80 5.716 -15.319 -8.938 1.00 0.00 N ATOM 1219 CA LYS B 80 4.506 -14.537 -9.104 1.00 0.00 C ATOM 1220 C LYS B 80 4.731 -13.588 -10.272 1.00 0.00 C ATOM 1221 O LYS B 80 5.832 -13.055 -10.419 1.00 0.00 O ATOM 1222 CB LYS B 80 4.230 -13.733 -7.836 1.00 0.00 C ATOM 1223 CG LYS B 80 2.817 -13.146 -7.884 1.00 0.00 C ATOM 1224 CD LYS B 80 2.624 -12.142 -6.748 1.00 0.00 C ATOM 1225 CE LYS B 80 1.196 -11.594 -6.736 1.00 0.00 C ATOM 1226 NZ LYS B 80 0.207 -12.651 -6.444 1.00 0.00 N ATOM 0 H LYS B 80 6.532 -14.738 -8.744 1.00 0.00 H new ATOM 0 HA LYS B 80 3.652 -15.188 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.337 -14.372 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.962 -12.932 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.651 -12.657 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.080 -13.945 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.841 -12.622 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.331 -11.320 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.116 -10.804 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.971 -11.143 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -0.703 -12.215 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 0.084 -13.253 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 0.543 -13.231 -5.649 1.00 0.00 H new ATOM 1240 N VAL B 81 3.704 -13.372 -11.095 1.00 0.00 N ATOM 1241 CA VAL B 81 3.783 -12.406 -12.181 1.00 0.00 C ATOM 1242 C VAL B 81 2.524 -11.552 -12.165 1.00 0.00 C ATOM 1243 O VAL B 81 1.413 -12.076 -12.214 1.00 0.00 O ATOM 1244 CB VAL B 81 3.978 -13.103 -13.531 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.166 -12.055 -14.628 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.222 -13.986 -13.490 1.00 0.00 C ATOM 0 H VAL B 81 2.809 -13.856 -11.026 1.00 0.00 H new ATOM 0 HA VAL B 81 4.652 -11.764 -12.037 1.00 0.00 H new ATOM 0 HB VAL B 81 3.098 -13.713 -13.738 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.305 -12.553 -15.587 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.285 -11.416 -14.675 1.00 0.00 H new ATOM 0 HG13 VAL B 81 5.043 -11.448 -14.405 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.352 -14.477 -14.454 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.097 -13.372 -13.275 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.107 -14.740 -12.711 1.00 0.00 H new ATOM 1256 N GLU B 82 2.702 -10.232 -12.093 1.00 0.00 N ATOM 1257 CA GLU B 82 1.587 -9.306 -11.970 1.00 0.00 C ATOM 1258 C GLU B 82 2.029 -7.920 -12.425 1.00 0.00 C ATOM 1259 O GLU B 82 3.226 -7.664 -12.514 1.00 0.00 O ATOM 1260 CB GLU B 82 1.157 -9.274 -10.497 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.110 -8.454 -10.249 1.00 0.00 C ATOM 1262 CD GLU B 82 -1.279 -8.942 -11.100 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -1.989 -9.860 -10.638 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.451 -8.387 -12.209 1.00 0.00 O ATOM 0 H GLU B 82 3.617 -9.782 -12.118 1.00 0.00 H new ATOM 0 HA GLU B 82 0.750 -9.623 -12.592 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.993 -10.295 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.970 -8.862 -9.898 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.379 -8.512 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.087 -7.405 -10.470 1.00 0.00 H new ATOM 1271 N GLN B 83 1.092 -7.017 -12.714 1.00 0.00 N ATOM 1272 CA GLN B 83 1.439 -5.637 -13.009 1.00 0.00 C ATOM 1273 C GLN B 83 2.138 -5.064 -11.775 1.00 0.00 C ATOM 1274 O GLN B 83 1.669 -5.247 -10.649 1.00 0.00 O ATOM 1275 CB GLN B 83 0.166 -4.867 -13.370 1.00 0.00 C ATOM 1276 CG GLN B 83 0.347 -3.350 -13.356 1.00 0.00 C ATOM 1277 CD GLN B 83 1.318 -2.828 -14.404 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.366 -3.310 -15.532 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.100 -1.826 -14.020 1.00 0.00 N ATOM 0 H GLN B 83 0.093 -7.220 -12.749 1.00 0.00 H new ATOM 0 HA GLN B 83 2.114 -5.558 -13.861 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.168 -5.176 -14.361 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.624 -5.137 -12.669 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.624 -2.878 -13.509 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.697 -3.046 -12.369 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.026 -1.456 -13.072 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.774 -1.426 -14.673 1.00 0.00 H new ATOM 1288 N ALA B 84 3.258 -4.374 -11.984 1.00 0.00 N ATOM 1289 CA ALA B 84 4.107 -3.939 -10.887 1.00 0.00 C ATOM 1290 C ALA B 84 3.570 -2.701 -10.175 1.00 0.00 C ATOM 1291 O ALA B 84 2.848 -1.895 -10.766 1.00 0.00 O ATOM 1292 CB ALA B 84 5.509 -3.662 -11.428 1.00 0.00 C ATOM 0 H ALA B 84 3.596 -4.106 -12.908 1.00 0.00 H new ATOM 0 HA ALA B 84 4.128 -4.739 -10.147 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.155 -3.335 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.915 -4.572 -11.870 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.458 -2.881 -12.187 1.00 0.00 H new ATOM 1298 N THR B 85 3.939 -2.566 -8.901 1.00 0.00 N ATOM 1299 CA THR B 85 3.700 -1.352 -8.134 1.00 0.00 C ATOM 1300 C THR B 85 5.016 -0.623 -7.928 1.00 0.00 C ATOM 1301 O THR B 85 6.084 -1.131 -8.265 1.00 0.00 O ATOM 1302 CB THR B 85 3.050 -1.635 -6.779 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.828 -2.558 -6.047 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.641 -2.199 -6.960 1.00 0.00 C ATOM 0 H THR B 85 4.413 -3.300 -8.374 1.00 0.00 H new ATOM 0 HA THR B 85 3.005 -0.734 -8.702 1.00 0.00 H new ATOM 0 HB THR B 85 2.989 -0.694 -6.233 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.848 -3.416 -6.520 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.198 -2.393 -5.983 1.00 0.00 H new ATOM 0 HG22 THR B 85 1.027 -1.478 -7.500 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.691 -3.129 -7.526 1.00 0.00 H new ATOM 1312 N LYS B 86 4.928 0.580 -7.366 1.00 0.00 N ATOM 1313 CA LYS B 86 6.074 1.444 -7.149 1.00 0.00 C ATOM 1314 C LYS B 86 6.850 1.025 -5.897 1.00 0.00 C ATOM 1315 O LYS B 86 6.267 0.429 -4.991 1.00 0.00 O ATOM 1316 CB LYS B 86 5.555 2.878 -7.074 1.00 0.00 C ATOM 1317 CG LYS B 86 4.842 3.204 -8.388 1.00 0.00 C ATOM 1318 CD LYS B 86 4.453 4.678 -8.440 1.00 0.00 C ATOM 1319 CE LYS B 86 3.208 4.832 -9.315 1.00 0.00 C ATOM 1320 NZ LYS B 86 2.787 6.243 -9.389 1.00 0.00 N ATOM 0 H LYS B 86 4.047 0.982 -7.047 1.00 0.00 H new ATOM 0 HA LYS B 86 6.787 1.364 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS B 86 4.870 2.990 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS B 86 6.379 3.571 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS B 86 5.492 2.965 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS B 86 3.951 2.584 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS B 86 4.256 5.051 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS B 86 5.274 5.270 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS B 86 3.415 4.457 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS B 86 2.397 4.227 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 1.971 6.329 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 2.520 6.576 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 3.572 6.821 -9.750 1.00 0.00 H new ATOM 1334 N PRO B 87 8.155 1.324 -5.834 1.00 0.00 N ATOM 1335 CA PRO B 87 9.022 0.907 -4.742 1.00 0.00 C ATOM 1336 C PRO B 87 8.626 1.599 -3.439 1.00 0.00 C ATOM 1337 O PRO B 87 7.991 2.654 -3.458 1.00 0.00 O ATOM 1338 CB PRO B 87 10.439 1.270 -5.187 1.00 0.00 C ATOM 1339 CG PRO B 87 10.211 2.467 -6.109 1.00 0.00 C ATOM 1340 CD PRO B 87 8.905 2.094 -6.811 1.00 0.00 C ATOM 0 HA PRO B 87 8.944 -0.161 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO B 87 11.075 1.528 -4.340 1.00 0.00 H new ATOM 0 HB3 PRO B 87 10.923 0.444 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO B 87 10.121 3.399 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO B 87 11.030 2.597 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO B 87 8.355 2.983 -7.118 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.095 1.510 -7.712 1.00 0.00 H new ATOM 1348 N SER B 88 8.998 1.007 -2.301 1.00 0.00 N ATOM 1349 CA SER B 88 8.563 1.478 -0.993 1.00 0.00 C ATOM 1350 C SER B 88 9.525 2.489 -0.368 1.00 0.00 C ATOM 1351 O SER B 88 9.208 3.064 0.669 1.00 0.00 O ATOM 1352 CB SER B 88 8.347 0.284 -0.064 1.00 0.00 C ATOM 1353 OG SER B 88 9.582 -0.344 0.216 1.00 0.00 O ATOM 0 H SER B 88 9.608 0.190 -2.265 1.00 0.00 H new ATOM 0 HA SER B 88 7.622 2.009 -1.135 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.880 0.615 0.864 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.665 -0.429 -0.528 1.00 0.00 H new ATOM 0 HG SER B 88 9.433 -1.107 0.813 1.00 0.00 H new ATOM 1359 N PHE B 89 10.688 2.711 -0.986 1.00 0.00 N ATOM 1360 CA PHE B 89 11.633 3.712 -0.504 1.00 0.00 C ATOM 1361 C PHE B 89 11.423 5.053 -1.201 1.00 0.00 C ATOM 1362 O PHE B 89 12.282 5.933 -1.146 1.00 0.00 O ATOM 1363 CB PHE B 89 13.073 3.218 -0.616 1.00 0.00 C ATOM 1364 CG PHE B 89 13.572 2.973 -2.022 1.00 0.00 C ATOM 1365 CD1 PHE B 89 13.323 1.749 -2.655 1.00 0.00 C ATOM 1366 CD2 PHE B 89 14.304 3.971 -2.685 1.00 0.00 C ATOM 1367 CE1 PHE B 89 13.822 1.518 -3.943 1.00 0.00 C ATOM 1368 CE2 PHE B 89 14.800 3.739 -3.975 1.00 0.00 C ATOM 1369 CZ PHE B 89 14.559 2.509 -4.601 1.00 0.00 C ATOM 0 H PHE B 89 10.994 2.210 -1.820 1.00 0.00 H new ATOM 0 HA PHE B 89 11.439 3.873 0.556 1.00 0.00 H new ATOM 0 HB2 PHE B 89 13.727 3.949 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE B 89 13.165 2.291 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE B 89 12.748 0.986 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE B 89 14.485 4.919 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE B 89 13.637 0.572 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE B 89 15.366 4.505 -4.484 1.00 0.00 H new ATOM 0 HZ PHE B 89 14.943 2.325 -5.594 1.00 0.00 H new ATOM 1379 N GLU B 90 10.275 5.211 -1.862 1.00 0.00 N ATOM 1380 CA GLU B 90 9.967 6.406 -2.619 1.00 0.00 C ATOM 1381 C GLU B 90 8.507 6.810 -2.416 1.00 0.00 C ATOM 1382 O GLU B 90 7.672 5.987 -2.044 1.00 0.00 O ATOM 1383 CB GLU B 90 10.284 6.139 -4.093 1.00 0.00 C ATOM 1384 CG GLU B 90 10.555 7.451 -4.824 1.00 0.00 C ATOM 1385 CD GLU B 90 10.843 7.205 -6.301 1.00 0.00 C ATOM 1386 OE1 GLU B 90 9.865 7.176 -7.081 1.00 0.00 O ATOM 1387 OE2 GLU B 90 12.037 7.045 -6.640 1.00 0.00 O ATOM 0 H GLU B 90 9.537 4.507 -1.882 1.00 0.00 H new ATOM 0 HA GLU B 90 10.575 7.241 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU B 90 11.152 5.485 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU B 90 9.449 5.619 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU B 90 9.694 8.112 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU B 90 11.403 7.959 -4.364 1.00 0.00 H new ATOM 1394 N SER B 91 8.208 8.086 -2.662 1.00 0.00 N ATOM 1395 CA SER B 91 6.888 8.660 -2.454 1.00 0.00 C ATOM 1396 C SER B 91 6.188 8.961 -3.783 1.00 0.00 C ATOM 1397 O SER B 91 5.156 9.629 -3.811 1.00 0.00 O ATOM 1398 CB SER B 91 7.043 9.900 -1.573 1.00 0.00 C ATOM 1399 OG SER B 91 5.796 10.317 -1.061 1.00 0.00 O ATOM 0 H SER B 91 8.890 8.756 -3.017 1.00 0.00 H new ATOM 0 HA SER B 91 6.242 7.943 -1.946 1.00 0.00 H new ATOM 0 HB2 SER B 91 7.724 9.683 -0.750 1.00 0.00 H new ATOM 0 HB3 SER B 91 7.491 10.708 -2.152 1.00 0.00 H new ATOM 0 HG SER B 91 5.119 10.267 -1.768 1.00 0.00 H new ATOM 1405 N GLY B 92 6.749 8.468 -4.895 1.00 0.00 N ATOM 1406 CA GLY B 92 6.195 8.680 -6.227 1.00 0.00 C ATOM 1407 C GLY B 92 6.466 10.088 -6.759 1.00 0.00 C ATOM 1408 O GLY B 92 6.054 10.414 -7.870 1.00 0.00 O ATOM 0 H GLY B 92 7.603 7.910 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY B 92 6.620 7.948 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY B 92 5.119 8.506 -6.201 1.00 0.00 H new ATOM 1412 N ARG B 93 7.157 10.921 -5.971 1.00 0.00 N ATOM 1413 CA ARG B 93 7.502 12.288 -6.351 1.00 0.00 C ATOM 1414 C ARG B 93 8.841 12.697 -5.739 1.00 0.00 C ATOM 1415 O ARG B 93 9.533 13.557 -6.279 1.00 0.00 O ATOM 1416 CB ARG B 93 6.385 13.213 -5.855 1.00 0.00 C ATOM 1417 CG ARG B 93 6.604 14.655 -6.313 1.00 0.00 C ATOM 1418 CD ARG B 93 5.484 15.538 -5.770 1.00 0.00 C ATOM 1419 NE ARG B 93 5.657 16.932 -6.198 1.00 0.00 N ATOM 1420 CZ ARG B 93 4.835 17.926 -5.853 1.00 0.00 C ATOM 1421 NH1 ARG B 93 3.780 17.697 -5.078 1.00 0.00 N ATOM 1422 NH2 ARG B 93 5.068 19.162 -6.284 1.00 0.00 N ATOM 0 H ARG B 93 7.493 10.659 -5.044 1.00 0.00 H new ATOM 0 HA ARG B 93 7.600 12.360 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG B 93 5.424 12.855 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG B 93 6.340 13.179 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG B 93 7.570 15.017 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG B 93 6.624 14.703 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG B 93 4.521 15.164 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG B 93 5.472 15.487 -4.681 1.00 0.00 H new ATOM 0 HE ARG B 93 6.453 17.154 -6.795 1.00 0.00 H new ATOM 0 HH11 ARG B 93 3.591 16.753 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG B 93 3.159 18.465 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG B 93 5.875 19.351 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG B 93 4.440 19.921 -6.020 1.00 0.00 H new ATOM 1436 N ARG B 94 9.203 12.080 -4.609 1.00 0.00 N ATOM 1437 CA ARG B 94 10.436 12.371 -3.892 1.00 0.00 C ATOM 1438 C ARG B 94 10.914 11.130 -3.146 1.00 0.00 C ATOM 1439 O ARG B 94 10.155 10.173 -2.993 1.00 0.00 O ATOM 1440 CB ARG B 94 10.197 13.536 -2.925 1.00 0.00 C ATOM 1441 CG ARG B 94 9.138 13.188 -1.875 1.00 0.00 C ATOM 1442 CD ARG B 94 8.935 14.370 -0.930 1.00 0.00 C ATOM 1443 NE ARG B 94 7.926 14.064 0.092 1.00 0.00 N ATOM 1444 CZ ARG B 94 8.180 13.424 1.238 1.00 0.00 C ATOM 1445 NH1 ARG B 94 9.413 13.011 1.529 1.00 0.00 N ATOM 1446 NH2 ARG B 94 7.196 13.190 2.100 1.00 0.00 N ATOM 0 H ARG B 94 8.637 11.356 -4.166 1.00 0.00 H new ATOM 0 HA ARG B 94 11.214 12.657 -4.600 1.00 0.00 H new ATOM 0 HB2 ARG B 94 11.132 13.795 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG B 94 9.880 14.416 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG B 94 8.197 12.937 -2.364 1.00 0.00 H new ATOM 0 HG3 ARG B 94 9.448 12.309 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG B 94 9.880 14.621 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG B 94 8.625 15.246 -1.500 1.00 0.00 H new ATOM 0 HE ARG B 94 6.966 14.360 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG B 94 10.176 13.182 0.874 1.00 0.00 H new ATOM 0 HH12 ARG B 94 9.594 12.524 2.407 1.00 0.00 H new ATOM 0 HH21 ARG B 94 6.247 13.499 1.887 1.00 0.00 H new ATOM 0 HH22 ARG B 94 7.389 12.702 2.974 1.00 0.00 H new ATOM 1460 N GLY B 95 12.166 11.146 -2.684 1.00 0.00 N ATOM 1461 CA GLY B 95 12.752 10.032 -1.951 1.00 0.00 C ATOM 1462 C GLY B 95 14.146 10.393 -1.456 1.00 0.00 C ATOM 1463 O GLY B 95 14.252 10.765 -0.267 1.00 0.00 O ATOM 1464 OXT GLY B 95 15.088 10.295 -2.273 1.00 0.00 O ATOM 0 H GLY B 95 12.800 11.935 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY B 95 12.116 9.771 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY B 95 12.804 9.153 -2.594 1.00 0.00 H new TER 1468 GLY B 95 ATOM 1469 O5' A A 96 11.944 -12.965 -3.257 1.00 0.00 O ATOM 1470 C5' A A 96 11.782 -13.979 -2.289 1.00 0.00 C ATOM 1471 C4' A A 96 12.187 -15.334 -2.874 1.00 0.00 C ATOM 1472 O4' A A 96 13.584 -15.362 -3.142 1.00 0.00 O ATOM 1473 C3' A A 96 11.897 -16.433 -1.853 1.00 0.00 C ATOM 1474 O3' A A 96 10.791 -17.230 -2.229 1.00 0.00 O ATOM 1475 C2' A A 96 13.183 -17.260 -1.859 1.00 0.00 C ATOM 1476 O2' A A 96 13.159 -18.249 -2.869 1.00 0.00 O ATOM 1477 C1' A A 96 14.236 -16.223 -2.225 1.00 0.00 C ATOM 1478 N9 A A 96 14.702 -15.491 -1.025 1.00 0.00 N ATOM 1479 C8 A A 96 14.687 -14.140 -0.784 1.00 0.00 C ATOM 1480 N7 A A 96 15.159 -13.796 0.382 1.00 0.00 N ATOM 1481 C5 A A 96 15.525 -15.008 0.958 1.00 0.00 C ATOM 1482 C6 A A 96 16.096 -15.354 2.199 1.00 0.00 C ATOM 1483 N6 A A 96 16.408 -14.463 3.146 1.00 0.00 N ATOM 1484 N1 A A 96 16.342 -16.646 2.452 1.00 0.00 N ATOM 1485 C2 A A 96 16.043 -17.546 1.525 1.00 0.00 C ATOM 1486 N3 A A 96 15.505 -17.361 0.328 1.00 0.00 N ATOM 1487 C4 A A 96 15.263 -16.046 0.103 1.00 0.00 C ATOM 0 H5' A A 96 10.744 -14.013 -1.957 1.00 0.00 H new ATOM 0 H5'' A A 96 12.390 -13.756 -1.412 1.00 0.00 H new ATOM 0 H4' A A 96 11.624 -15.490 -3.794 1.00 0.00 H new ATOM 0 H3' A A 96 11.637 -16.031 -0.874 1.00 0.00 H new ATOM 0 H2' A A 96 13.348 -17.779 -0.915 1.00 0.00 H new ATOM 0 HO2' A A 96 12.552 -18.972 -2.605 1.00 0.00 H new ATOM 0 HO5' A A 96 12.820 -12.541 -3.144 1.00 0.00 H new ATOM 0 H1' A A 96 15.130 -16.673 -2.656 1.00 0.00 H new ATOM 0 H8 A A 96 14.315 -13.422 -1.500 1.00 0.00 H new ATOM 0 H61 A A 96 16.820 -14.776 4.025 1.00 0.00 H new ATOM 0 H62 A A 96 16.234 -13.470 2.989 1.00 0.00 H new ATOM 0 H2 A A 96 16.269 -18.571 1.781 1.00 0.00 H new ATOM 1500 P U A 97 10.215 -18.349 -1.225 1.00 0.00 P ATOM 1501 OP1 U A 97 11.236 -19.409 -1.062 1.00 0.00 O ATOM 1502 OP2 U A 97 8.846 -18.707 -1.661 1.00 0.00 O ATOM 1503 O5' U A 97 10.115 -17.519 0.149 1.00 0.00 O ATOM 1504 C5' U A 97 9.646 -18.123 1.337 1.00 0.00 C ATOM 1505 C4' U A 97 9.662 -17.148 2.521 1.00 0.00 C ATOM 1506 O4' U A 97 10.363 -17.690 3.625 1.00 0.00 O ATOM 1507 C3' U A 97 10.359 -15.808 2.247 1.00 0.00 C ATOM 1508 O3' U A 97 9.789 -14.801 3.062 1.00 0.00 O ATOM 1509 C2' U A 97 11.809 -16.064 2.659 1.00 0.00 C ATOM 1510 O2' U A 97 12.342 -14.979 3.396 1.00 0.00 O ATOM 1511 C1' U A 97 11.728 -17.322 3.529 1.00 0.00 C ATOM 1512 N1 U A 97 12.533 -18.450 3.006 1.00 0.00 N ATOM 1513 C2 U A 97 13.117 -19.301 3.935 1.00 0.00 C ATOM 1514 O2 U A 97 12.976 -19.152 5.149 1.00 0.00 O ATOM 1515 N3 U A 97 13.878 -20.340 3.426 1.00 0.00 N ATOM 1516 C4 U A 97 14.099 -20.601 2.086 1.00 0.00 C ATOM 1517 O4 U A 97 14.797 -21.554 1.742 1.00 0.00 O ATOM 1518 C5 U A 97 13.449 -19.673 1.189 1.00 0.00 C ATOM 1519 C6 U A 97 12.702 -18.649 1.663 1.00 0.00 C ATOM 0 H5' U A 97 10.264 -18.989 1.572 1.00 0.00 H new ATOM 0 H5'' U A 97 8.631 -18.489 1.182 1.00 0.00 H new ATOM 0 H4' U A 97 8.602 -16.984 2.714 1.00 0.00 H new ATOM 0 H3' U A 97 10.267 -15.476 1.213 1.00 0.00 H new ATOM 0 H2' U A 97 12.466 -16.182 1.797 1.00 0.00 H new ATOM 0 HO2' U A 97 11.610 -14.421 3.732 1.00 0.00 H new ATOM 0 H1' U A 97 12.149 -17.093 4.508 1.00 0.00 H new ATOM 0 H3 U A 97 14.315 -20.969 4.100 1.00 0.00 H new ATOM 0 H5 U A 97 13.561 -19.799 0.122 1.00 0.00 H new ATOM 0 H6 U A 97 12.229 -17.974 0.966 1.00 0.00 H new ATOM 1530 P C A 98 8.457 -14.027 2.601 1.00 0.00 P ATOM 1531 OP1 C A 98 8.012 -13.165 3.721 1.00 0.00 O ATOM 1532 OP2 C A 98 7.516 -15.003 2.005 1.00 0.00 O ATOM 1533 O5' C A 98 9.002 -13.072 1.425 1.00 0.00 O ATOM 1534 C5' C A 98 8.169 -12.091 0.850 1.00 0.00 C ATOM 1535 C4' C A 98 8.931 -11.361 -0.260 1.00 0.00 C ATOM 1536 O4' C A 98 9.213 -12.220 -1.352 1.00 0.00 O ATOM 1537 C3' C A 98 8.046 -10.258 -0.834 1.00 0.00 C ATOM 1538 O3' C A 98 8.812 -9.321 -1.573 1.00 0.00 O ATOM 1539 C2' C A 98 7.175 -11.097 -1.764 1.00 0.00 C ATOM 1540 O2' C A 98 6.572 -10.304 -2.763 1.00 0.00 O ATOM 1541 C1' C A 98 8.182 -12.098 -2.320 1.00 0.00 C ATOM 1542 N1 C A 98 7.556 -13.412 -2.581 1.00 0.00 N ATOM 1543 C2 C A 98 7.050 -13.658 -3.851 1.00 0.00 C ATOM 1544 O2 C A 98 7.118 -12.804 -4.732 1.00 0.00 O ATOM 1545 N3 C A 98 6.476 -14.866 -4.101 1.00 0.00 N ATOM 1546 C4 C A 98 6.405 -15.791 -3.145 1.00 0.00 C ATOM 1547 N4 C A 98 5.836 -16.956 -3.439 1.00 0.00 N ATOM 1548 C5 C A 98 6.919 -15.560 -1.831 1.00 0.00 C ATOM 1549 C6 C A 98 7.487 -14.356 -1.598 1.00 0.00 C ATOM 0 H5' C A 98 7.846 -11.381 1.611 1.00 0.00 H new ATOM 0 H5'' C A 98 7.270 -12.555 0.444 1.00 0.00 H new ATOM 0 H4' C A 98 9.853 -10.983 0.182 1.00 0.00 H new ATOM 0 H3' C A 98 7.510 -9.660 -0.097 1.00 0.00 H new ATOM 0 H2' C A 98 6.327 -11.577 -1.276 1.00 0.00 H new ATOM 0 HO2' C A 98 7.110 -9.498 -2.910 1.00 0.00 H new ATOM 0 H1' C A 98 8.574 -11.749 -3.275 1.00 0.00 H new ATOM 0 H41 C A 98 5.767 -17.684 -2.728 1.00 0.00 H new ATOM 0 H42 C A 98 5.468 -17.122 -4.376 1.00 0.00 H new ATOM 0 H5 C A 98 6.856 -16.313 -1.060 1.00 0.00 H new ATOM 0 H6 C A 98 7.892 -14.138 -0.621 1.00 0.00 H new ATOM 1561 P A A 99 9.886 -8.365 -0.849 1.00 0.00 P ATOM 1562 OP1 A A 99 11.147 -9.126 -0.671 1.00 0.00 O ATOM 1563 OP2 A A 99 9.237 -7.738 0.326 1.00 0.00 O ATOM 1564 O5' A A 99 10.145 -7.229 -1.956 1.00 0.00 O ATOM 1565 C5' A A 99 9.342 -6.069 -2.008 1.00 0.00 C ATOM 1566 C4' A A 99 9.650 -5.310 -3.298 1.00 0.00 C ATOM 1567 O4' A A 99 8.868 -5.858 -4.351 1.00 0.00 O ATOM 1568 C3' A A 99 9.282 -3.826 -3.178 1.00 0.00 C ATOM 1569 O3' A A 99 10.216 -3.015 -3.868 1.00 0.00 O ATOM 1570 C2' A A 99 7.938 -3.775 -3.887 1.00 0.00 C ATOM 1571 O2' A A 99 7.638 -2.491 -4.398 1.00 0.00 O ATOM 1572 C1' A A 99 8.189 -4.792 -4.983 1.00 0.00 C ATOM 1573 N9 A A 99 6.917 -5.177 -5.624 1.00 0.00 N ATOM 1574 C8 A A 99 6.395 -4.641 -6.763 1.00 0.00 C ATOM 1575 N7 A A 99 5.255 -5.157 -7.133 1.00 0.00 N ATOM 1576 C5 A A 99 4.997 -6.102 -6.141 1.00 0.00 C ATOM 1577 C6 A A 99 3.937 -6.999 -5.919 1.00 0.00 C ATOM 1578 N6 A A 99 2.881 -7.110 -6.731 1.00 0.00 N ATOM 1579 N1 A A 99 3.976 -7.783 -4.837 1.00 0.00 N ATOM 1580 C2 A A 99 5.014 -7.687 -4.016 1.00 0.00 C ATOM 1581 N3 A A 99 6.074 -6.895 -4.101 1.00 0.00 N ATOM 1582 C4 A A 99 6.005 -6.116 -5.208 1.00 0.00 C ATOM 0 H5' A A 99 9.538 -5.436 -1.143 1.00 0.00 H new ATOM 0 H5'' A A 99 8.287 -6.339 -1.973 1.00 0.00 H new ATOM 0 H4' A A 99 10.718 -5.402 -3.494 1.00 0.00 H new ATOM 0 H3' A A 99 9.267 -3.466 -2.149 1.00 0.00 H new ATOM 0 H2' A A 99 7.077 -3.984 -3.252 1.00 0.00 H new ATOM 0 HO2' A A 99 7.173 -2.581 -5.256 1.00 0.00 H new ATOM 0 H1' A A 99 8.798 -4.409 -5.802 1.00 0.00 H new ATOM 0 H8 A A 99 6.885 -3.853 -7.315 1.00 0.00 H new ATOM 0 H61 A A 99 2.142 -7.780 -6.518 1.00 0.00 H new ATOM 0 H62 A A 99 2.814 -6.525 -7.564 1.00 0.00 H new ATOM 0 H2 A A 99 4.992 -8.345 -3.160 1.00 0.00 H new ATOM 1594 P A A 100 11.427 -2.297 -3.085 1.00 0.00 P ATOM 1595 OP1 A A 100 11.997 -3.253 -2.110 1.00 0.00 O ATOM 1596 OP2 A A 100 10.970 -0.963 -2.638 1.00 0.00 O ATOM 1597 O5' A A 100 12.496 -2.091 -4.265 1.00 0.00 O ATOM 1598 C5' A A 100 13.165 -3.216 -4.773 1.00 0.00 C ATOM 1599 C4' A A 100 14.005 -2.970 -6.025 1.00 0.00 C ATOM 1600 O4' A A 100 13.177 -3.038 -7.179 1.00 0.00 O ATOM 1601 C3' A A 100 14.641 -1.587 -6.003 1.00 0.00 C ATOM 1602 O3' A A 100 15.791 -1.598 -6.823 1.00 0.00 O ATOM 1603 C2' A A 100 13.522 -0.777 -6.639 1.00 0.00 C ATOM 1604 O2' A A 100 13.976 0.443 -7.187 1.00 0.00 O ATOM 1605 C1' A A 100 13.013 -1.734 -7.704 1.00 0.00 C ATOM 1606 N9 A A 100 11.599 -1.469 -8.041 1.00 0.00 N ATOM 1607 C8 A A 100 10.490 -1.533 -7.236 1.00 0.00 C ATOM 1608 N7 A A 100 9.375 -1.219 -7.836 1.00 0.00 N ATOM 1609 C5 A A 100 9.777 -0.925 -9.139 1.00 0.00 C ATOM 1610 C6 A A 100 9.088 -0.519 -10.300 1.00 0.00 C ATOM 1611 N6 A A 100 7.767 -0.329 -10.348 1.00 0.00 N ATOM 1612 N1 A A 100 9.789 -0.314 -11.424 1.00 0.00 N ATOM 1613 C2 A A 100 11.100 -0.512 -11.399 1.00 0.00 C ATOM 1614 N3 A A 100 11.866 -0.885 -10.387 1.00 0.00 N ATOM 1615 C4 A A 100 11.131 -1.078 -9.270 1.00 0.00 C ATOM 0 H5' A A 100 12.427 -3.986 -4.997 1.00 0.00 H new ATOM 0 H5'' A A 100 13.814 -3.614 -3.993 1.00 0.00 H new ATOM 0 H4' A A 100 14.784 -3.732 -6.049 1.00 0.00 H new ATOM 0 H3' A A 100 14.967 -1.219 -5.030 1.00 0.00 H new ATOM 0 H2' A A 100 12.758 -0.461 -5.929 1.00 0.00 H new ATOM 0 HO2' A A 100 13.934 1.144 -6.504 1.00 0.00 H new ATOM 0 H1' A A 100 13.570 -1.610 -8.633 1.00 0.00 H new ATOM 0 H8 A A 100 10.536 -1.819 -6.195 1.00 0.00 H new ATOM 0 H61 A A 100 7.325 -0.034 -11.219 1.00 0.00 H new ATOM 0 H62 A A 100 7.200 -0.478 -9.514 1.00 0.00 H new ATOM 0 H2 A A 100 11.613 -0.346 -12.334 1.00 0.00 H new ATOM 1627 P A A 101 17.229 -2.010 -6.230 1.00 0.00 P ATOM 1628 OP1 A A 101 18.117 -2.392 -7.349 1.00 0.00 O ATOM 1629 OP2 A A 101 17.030 -2.940 -5.095 1.00 0.00 O ATOM 1630 O5' A A 101 17.733 -0.601 -5.653 1.00 0.00 O ATOM 1631 C5' A A 101 17.743 0.525 -6.498 1.00 0.00 C ATOM 1632 C4' A A 101 18.550 1.685 -5.918 1.00 0.00 C ATOM 1633 O4' A A 101 17.982 2.155 -4.707 1.00 0.00 O ATOM 1634 C3' A A 101 19.985 1.266 -5.607 1.00 0.00 C ATOM 1635 O3' A A 101 20.838 2.392 -5.716 1.00 0.00 O ATOM 1636 C2' A A 101 19.874 0.796 -4.164 1.00 0.00 C ATOM 1637 O2' A A 101 21.090 0.970 -3.460 1.00 0.00 O ATOM 1638 C1' A A 101 18.753 1.680 -3.614 1.00 0.00 C ATOM 1639 N9 A A 101 17.908 0.952 -2.646 1.00 0.00 N ATOM 1640 C8 A A 101 17.598 -0.383 -2.600 1.00 0.00 C ATOM 1641 N7 A A 101 16.831 -0.721 -1.595 1.00 0.00 N ATOM 1642 C5 A A 101 16.629 0.484 -0.924 1.00 0.00 C ATOM 1643 C6 A A 101 15.920 0.831 0.242 1.00 0.00 C ATOM 1644 N6 A A 101 15.231 -0.044 0.978 1.00 0.00 N ATOM 1645 N1 A A 101 15.932 2.110 0.642 1.00 0.00 N ATOM 1646 C2 A A 101 16.609 3.000 -0.076 1.00 0.00 C ATOM 1647 N3 A A 101 17.310 2.812 -1.186 1.00 0.00 N ATOM 1648 C4 A A 101 17.276 1.510 -1.561 1.00 0.00 C ATOM 0 H5' A A 101 16.718 0.852 -6.674 1.00 0.00 H new ATOM 0 H5'' A A 101 18.159 0.245 -7.466 1.00 0.00 H new ATOM 0 H4' A A 101 18.538 2.469 -6.675 1.00 0.00 H new ATOM 0 H3' A A 101 20.395 0.507 -6.273 1.00 0.00 H new ATOM 0 H2' A A 101 19.664 -0.269 -4.067 1.00 0.00 H new ATOM 0 HO2' A A 101 20.981 0.659 -2.537 1.00 0.00 H new ATOM 0 HO3' A A 101 21.417 2.441 -4.927 1.00 0.00 H new ATOM 0 H1' A A 101 19.189 2.520 -3.073 1.00 0.00 H new ATOM 0 H8 A A 101 17.956 -1.094 -3.330 1.00 0.00 H new ATOM 0 H61 A A 101 14.737 0.270 1.814 1.00 0.00 H new ATOM 0 H62 A A 101 15.198 -1.026 0.705 1.00 0.00 H new ATOM 0 H2 A A 101 16.585 4.014 0.295 1.00 0.00 H new TER 1661 A A 101