USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1062 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 39 MET CE :methyl 135:sc= -8.89! (180deg=-16.4!) USER MOD Set 1.2: B 59 MET CE :methyl -128:sc= -18! (180deg=-20.5!) USER MOD Set 2.1: B 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 70 GLN :FLIP amide:sc= -3.68! C(o=-5!,f=-3.7!) USER MOD Set 3.1: A 12 SER OG : rot -66:sc= 0.555 USER MOD Set 3.2: B 9 CYS SG : rot 81:sc= 1.95 USER MOD Set 4.1: A 74 GLN :FLIP amide:sc= -3.53 F(o=-9.7,f=-7.2) USER MOD Set 4.2: B 74 GLN :FLIP amide:sc= -3.64 F(o=-9.6!,f=-7.2) USER MOD Set 5.1: A 39 MET CE :methyl 137:sc= -8.96! (180deg=-16.3!) USER MOD Set 5.2: A 59 MET CE :methyl -131:sc= -17.8! (180deg=-20.3!) USER MOD Set 6.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 70 GLN :FLIP amide:sc= -3.8! C(o=-5.2!,f=-3.8!) USER MOD Set 7.1: A 9 CYS SG : rot 58:sc= 2 USER MOD Set 7.2: B 12 SER OG : rot -63:sc= 0.542 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -130:sc= -1.25 USER MOD Single : A 18 GLN : amide:sc= 0.357 K(o=0.36,f=-0.32) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -15:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.169 X(o=0.17,f=-0.041) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -177:sc= -2.5 (180deg=-2.54) USER MOD Single : A 78 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 87 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 88 HIS :FLIP no HE2:sc= -1.95 F(o=-2.5,f=-1.9) USER MOD Single : A 90 SER OG : rot 114:sc= -0.0645 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -130:sc= -1.25 USER MOD Single : B 18 GLN : amide:sc= 0.371 K(o=0.37,f=-0.32) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot -15:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= -0.0597 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 ASN : amide:sc= 0.211 X(o=0.21,f=-0.035) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl -177:sc= -2.33 (180deg=-2.49) USER MOD Single : B 78 ASN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : B 87 CYS SG : rot 180:sc= -1.02 USER MOD Single : B 88 HIS :FLIP no HE2:sc= -2.02 F(o=-2.6,f=-2) USER MOD Single : B 90 SER OG : rot 115:sc= -0.0511 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.719 -4.601 15.266 1.00 0.00 N ATOM 52 CA THR A 4 8.378 -3.402 14.755 1.00 0.00 C ATOM 53 C THR A 4 7.364 -2.419 14.196 1.00 0.00 C ATOM 54 O THR A 4 6.347 -2.807 13.622 1.00 0.00 O ATOM 55 CB THR A 4 9.446 -3.743 13.702 1.00 0.00 C ATOM 56 OG1 THR A 4 9.725 -2.617 12.890 1.00 0.00 O ATOM 57 CG2 THR A 4 9.073 -4.883 12.779 1.00 0.00 C ATOM 0 HA THR A 4 8.886 -2.929 15.596 1.00 0.00 H new ATOM 0 HB THR A 4 10.314 -4.051 14.284 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.408 -2.853 12.227 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.882 -5.056 12.069 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.906 -5.786 13.366 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.162 -4.629 12.237 1.00 0.00 H new ATOM 65 N GLU A 5 7.654 -1.142 14.393 1.00 0.00 N ATOM 66 CA GLU A 5 6.786 -0.067 13.941 1.00 0.00 C ATOM 67 C GLU A 5 6.290 -0.315 12.521 1.00 0.00 C ATOM 68 O GLU A 5 5.107 -0.141 12.231 1.00 0.00 O ATOM 69 CB GLU A 5 7.545 1.254 14.019 1.00 0.00 C ATOM 70 CG GLU A 5 6.751 2.376 14.668 1.00 0.00 C ATOM 71 CD GLU A 5 6.901 2.397 16.177 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.053 2.421 16.659 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.867 2.388 16.877 1.00 0.00 O ATOM 0 H GLU A 5 8.497 -0.823 14.870 1.00 0.00 H new ATOM 0 HA GLU A 5 5.911 -0.026 14.589 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.467 1.101 14.580 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.832 1.558 13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.080 3.332 14.260 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.697 2.266 14.412 1.00 0.00 H new ATOM 80 N THR A 6 7.192 -0.736 11.644 1.00 0.00 N ATOM 81 CA THR A 6 6.832 -1.020 10.266 1.00 0.00 C ATOM 82 C THR A 6 6.001 -2.295 10.187 1.00 0.00 C ATOM 83 O THR A 6 5.054 -2.374 9.408 1.00 0.00 O ATOM 84 CB THR A 6 8.085 -1.150 9.399 1.00 0.00 C ATOM 85 OG1 THR A 6 8.961 -0.055 9.608 1.00 0.00 O ATOM 86 CG2 THR A 6 7.780 -1.211 7.920 1.00 0.00 C ATOM 0 H THR A 6 8.176 -0.887 11.864 1.00 0.00 H new ATOM 0 HA THR A 6 6.235 -0.190 9.889 1.00 0.00 H new ATOM 0 HB THR A 6 8.548 -2.089 9.703 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.223 0.324 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.711 -1.303 7.360 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.146 -2.074 7.714 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.263 -0.300 7.617 1.00 0.00 H new ATOM 94 N GLU A 7 6.346 -3.292 11.007 1.00 0.00 N ATOM 95 CA GLU A 7 5.611 -4.553 11.013 1.00 0.00 C ATOM 96 C GLU A 7 4.122 -4.299 11.186 1.00 0.00 C ATOM 97 O GLU A 7 3.305 -4.751 10.384 1.00 0.00 O ATOM 98 CB GLU A 7 6.119 -5.468 12.126 1.00 0.00 C ATOM 99 CG GLU A 7 6.970 -6.617 11.608 1.00 0.00 C ATOM 100 CD GLU A 7 6.138 -7.740 11.021 1.00 0.00 C ATOM 101 OE1 GLU A 7 4.948 -7.504 10.721 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.676 -8.856 10.860 1.00 0.00 O ATOM 0 H GLU A 7 7.122 -3.249 11.668 1.00 0.00 H new ATOM 0 HA GLU A 7 5.775 -5.047 10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.704 -4.880 12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.268 -5.872 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.656 -6.242 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.580 -7.009 12.422 1.00 0.00 H new ATOM 109 N ARG A 8 3.777 -3.556 12.228 1.00 0.00 N ATOM 110 CA ARG A 8 2.383 -3.222 12.492 1.00 0.00 C ATOM 111 C ARG A 8 1.771 -2.488 11.299 1.00 0.00 C ATOM 112 O ARG A 8 0.559 -2.537 11.084 1.00 0.00 O ATOM 113 CB ARG A 8 2.270 -2.359 13.751 1.00 0.00 C ATOM 114 CG ARG A 8 0.882 -2.370 14.371 1.00 0.00 C ATOM 115 CD ARG A 8 0.561 -1.046 15.048 1.00 0.00 C ATOM 116 NE ARG A 8 0.558 -1.162 16.504 1.00 0.00 N ATOM 117 CZ ARG A 8 -0.457 -1.660 17.207 1.00 0.00 C ATOM 118 NH1 ARG A 8 -1.551 -2.093 16.590 1.00 0.00 N ATOM 119 NH2 ARG A 8 -0.380 -1.727 18.529 1.00 0.00 N ATOM 0 H ARG A 8 4.440 -3.174 12.903 1.00 0.00 H new ATOM 0 HA ARG A 8 1.834 -4.150 12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.992 -2.710 14.489 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.541 -1.333 13.504 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.140 -2.574 13.599 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.815 -3.178 15.100 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.293 -0.297 14.746 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.414 -0.693 14.710 1.00 0.00 H new ATOM 0 HE ARG A 8 1.383 -0.842 17.012 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.616 -2.045 15.573 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.326 -2.474 17.133 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.458 -1.397 19.008 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.158 -2.109 19.066 1.00 0.00 H new ATOM 132 N CYS A 9 2.618 -1.805 10.530 1.00 0.00 N ATOM 133 CA CYS A 9 2.159 -1.054 9.363 1.00 0.00 C ATOM 134 C CYS A 9 1.811 -1.981 8.200 1.00 0.00 C ATOM 135 O CYS A 9 0.709 -1.915 7.657 1.00 0.00 O ATOM 136 CB CYS A 9 3.224 -0.048 8.918 1.00 0.00 C ATOM 137 SG CYS A 9 3.630 1.204 10.158 1.00 0.00 S ATOM 0 H CYS A 9 3.624 -1.756 10.694 1.00 0.00 H new ATOM 0 HA CYS A 9 1.256 -0.518 9.656 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.132 -0.590 8.656 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.879 0.452 8.013 1.00 0.00 H new ATOM 0 HG CYS A 9 4.030 0.621 11.249 1.00 0.00 H new ATOM 143 N ILE A 10 2.755 -2.834 7.808 1.00 0.00 N ATOM 144 CA ILE A 10 2.533 -3.753 6.700 1.00 0.00 C ATOM 145 C ILE A 10 1.282 -4.599 6.915 1.00 0.00 C ATOM 146 O ILE A 10 0.380 -4.613 6.081 1.00 0.00 O ATOM 147 CB ILE A 10 3.730 -4.704 6.501 1.00 0.00 C ATOM 148 CG1 ILE A 10 5.047 -3.931 6.500 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.577 -5.485 5.206 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.882 -4.166 7.730 1.00 0.00 C ATOM 0 H ILE A 10 3.676 -2.906 8.240 1.00 0.00 H new ATOM 0 HA ILE A 10 2.408 -3.132 5.813 1.00 0.00 H new ATOM 0 HB ILE A 10 3.747 -5.406 7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.624 -4.213 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.834 -2.866 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.430 -6.152 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.660 -6.072 5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.532 -4.792 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.802 -3.586 7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.323 -3.857 8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.126 -5.226 7.807 1.00 0.00 H new ATOM 162 N GLU A 11 1.243 -5.311 8.035 1.00 0.00 N ATOM 163 CA GLU A 11 0.114 -6.182 8.358 1.00 0.00 C ATOM 164 C GLU A 11 -1.216 -5.444 8.266 1.00 0.00 C ATOM 165 O GLU A 11 -2.256 -6.054 8.020 1.00 0.00 O ATOM 166 CB GLU A 11 0.289 -6.775 9.758 1.00 0.00 C ATOM 167 CG GLU A 11 0.738 -8.226 9.746 1.00 0.00 C ATOM 168 CD GLU A 11 0.191 -9.017 10.919 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.029 -9.281 10.939 1.00 0.00 O ATOM 170 OE2 GLU A 11 0.985 -9.372 11.816 1.00 0.00 O ATOM 0 H GLU A 11 1.982 -5.304 8.738 1.00 0.00 H new ATOM 0 HA GLU A 11 0.098 -6.986 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.019 -6.181 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.655 -6.699 10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.416 -8.694 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.827 -8.265 9.763 1.00 0.00 H new ATOM 177 N SER A 12 -1.183 -4.137 8.481 1.00 0.00 N ATOM 178 CA SER A 12 -2.396 -3.333 8.436 1.00 0.00 C ATOM 179 C SER A 12 -3.047 -3.344 7.049 1.00 0.00 C ATOM 180 O SER A 12 -4.224 -3.668 6.922 1.00 0.00 O ATOM 181 CB SER A 12 -2.084 -1.896 8.858 1.00 0.00 C ATOM 182 OG SER A 12 -2.699 -1.581 10.096 1.00 0.00 O ATOM 0 H SER A 12 -0.333 -3.612 8.688 1.00 0.00 H new ATOM 0 HA SER A 12 -3.108 -3.775 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.005 -1.764 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.431 -1.205 8.090 1.00 0.00 H new ATOM 0 HG SER A 12 -3.673 -1.580 9.987 1.00 0.00 H new ATOM 188 N LEU A 13 -2.290 -2.964 6.019 1.00 0.00 N ATOM 189 CA LEU A 13 -2.819 -2.903 4.660 1.00 0.00 C ATOM 190 C LEU A 13 -2.998 -4.279 4.010 1.00 0.00 C ATOM 191 O LEU A 13 -3.848 -4.452 3.142 1.00 0.00 O ATOM 192 CB LEU A 13 -1.909 -2.036 3.807 1.00 0.00 C ATOM 193 CG LEU A 13 -2.302 -0.564 3.760 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.688 -0.403 3.163 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.268 0.059 5.139 1.00 0.00 C ATOM 0 H LEU A 13 -1.310 -2.694 6.102 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.816 -2.467 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.891 -2.115 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.901 -2.430 2.791 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.576 -0.050 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.952 0.654 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.696 -0.804 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.412 -0.943 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.553 1.109 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.966 -0.465 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.261 -0.018 5.548 1.00 0.00 H new ATOM 207 N ILE A 14 -2.208 -5.256 4.409 1.00 0.00 N ATOM 208 CA ILE A 14 -2.332 -6.582 3.838 1.00 0.00 C ATOM 209 C ILE A 14 -3.642 -7.216 4.229 1.00 0.00 C ATOM 210 O ILE A 14 -4.231 -7.979 3.475 1.00 0.00 O ATOM 211 CB ILE A 14 -1.252 -7.526 4.352 1.00 0.00 C ATOM 212 CG1 ILE A 14 0.116 -6.883 4.337 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.256 -8.792 3.541 1.00 0.00 C ATOM 214 CD1 ILE A 14 1.008 -7.466 5.394 1.00 0.00 C ATOM 0 H ILE A 14 -1.481 -5.159 5.118 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.250 -6.446 2.760 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.479 -7.764 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.573 -7.020 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.016 -5.809 4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.482 -9.464 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.229 -9.276 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.060 -8.555 2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.983 -6.981 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.562 -7.306 6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.127 -8.535 5.220 1.00 0.00 H new ATOM 226 N ALA A 15 -4.048 -6.928 5.445 1.00 0.00 N ATOM 227 CA ALA A 15 -5.241 -7.503 6.011 1.00 0.00 C ATOM 228 C ALA A 15 -6.505 -6.822 5.515 1.00 0.00 C ATOM 229 O ALA A 15 -7.529 -7.480 5.326 1.00 0.00 O ATOM 230 CB ALA A 15 -5.106 -7.480 7.513 1.00 0.00 C ATOM 0 H ALA A 15 -3.557 -6.287 6.068 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.344 -8.536 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.999 -7.911 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.233 -8.061 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.988 -6.451 7.852 1.00 0.00 H new ATOM 236 N VAL A 16 -6.431 -5.522 5.245 1.00 0.00 N ATOM 237 CA VAL A 16 -7.576 -4.814 4.704 1.00 0.00 C ATOM 238 C VAL A 16 -8.055 -5.572 3.476 1.00 0.00 C ATOM 239 O VAL A 16 -9.250 -5.673 3.199 1.00 0.00 O ATOM 240 CB VAL A 16 -7.196 -3.382 4.290 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.624 -2.616 5.459 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.191 -3.414 3.161 1.00 0.00 C ATOM 0 H VAL A 16 -5.601 -4.948 5.391 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.355 -4.754 5.464 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.101 -2.877 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.363 -1.607 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.364 -2.565 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.731 -3.123 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.930 -2.394 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.294 -3.941 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.623 -3.930 2.304 1.00 0.00 H new ATOM 252 N PHE A 17 -7.075 -6.117 2.759 1.00 0.00 N ATOM 253 CA PHE A 17 -7.329 -6.898 1.556 1.00 0.00 C ATOM 254 C PHE A 17 -7.797 -8.309 1.918 1.00 0.00 C ATOM 255 O PHE A 17 -8.889 -8.724 1.534 1.00 0.00 O ATOM 256 CB PHE A 17 -6.044 -6.960 0.715 1.00 0.00 C ATOM 257 CG PHE A 17 -5.972 -8.118 -0.244 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.993 -8.359 -1.148 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.872 -8.961 -0.242 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.919 -9.420 -2.032 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.793 -10.024 -1.121 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.817 -10.254 -2.017 1.00 0.00 C ATOM 0 H PHE A 17 -6.087 -6.029 2.996 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.120 -6.420 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.951 -6.032 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.188 -7.010 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.857 -7.711 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.066 -8.785 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.721 -9.597 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.931 -10.674 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.757 -11.084 -2.705 1.00 0.00 H new ATOM 272 N GLN A 18 -6.961 -9.036 2.659 1.00 0.00 N ATOM 273 CA GLN A 18 -7.275 -10.408 3.070 1.00 0.00 C ATOM 274 C GLN A 18 -8.663 -10.524 3.685 1.00 0.00 C ATOM 275 O GLN A 18 -9.410 -11.451 3.375 1.00 0.00 O ATOM 276 CB GLN A 18 -6.251 -10.919 4.086 1.00 0.00 C ATOM 277 CG GLN A 18 -4.820 -10.576 3.734 1.00 0.00 C ATOM 278 CD GLN A 18 -4.146 -11.657 2.925 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.418 -12.494 3.458 1.00 0.00 O ATOM 280 NE2 GLN A 18 -4.394 -11.639 1.623 1.00 0.00 N ATOM 0 H GLN A 18 -6.057 -8.698 2.989 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.242 -11.013 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.485 -10.501 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.345 -12.002 4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.802 -9.642 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.255 -10.407 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.005 -10.923 1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.974 -12.341 1.014 1.00 0.00 H new ATOM 289 N LYS A 19 -8.996 -9.602 4.579 1.00 0.00 N ATOM 290 CA LYS A 19 -10.288 -9.636 5.255 1.00 0.00 C ATOM 291 C LYS A 19 -11.435 -9.844 4.268 1.00 0.00 C ATOM 292 O LYS A 19 -12.251 -10.749 4.440 1.00 0.00 O ATOM 293 CB LYS A 19 -10.501 -8.336 6.035 1.00 0.00 C ATOM 294 CG LYS A 19 -11.823 -8.276 6.781 1.00 0.00 C ATOM 295 CD LYS A 19 -11.805 -9.153 8.024 1.00 0.00 C ATOM 296 CE LYS A 19 -13.095 -9.942 8.169 1.00 0.00 C ATOM 297 NZ LYS A 19 -13.497 -10.093 9.595 1.00 0.00 N ATOM 0 H LYS A 19 -8.394 -8.825 4.852 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.283 -10.481 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.686 -8.214 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.447 -7.495 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.034 -7.245 7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.629 -8.596 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.961 -9.841 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.657 -8.531 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.891 -9.440 7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.970 -10.928 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.382 -10.637 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.749 -10.594 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.642 -9.153 10.016 1.00 0.00 H new ATOM 311 N TYR A 20 -11.480 -9.027 3.222 1.00 0.00 N ATOM 312 CA TYR A 20 -12.512 -9.156 2.205 1.00 0.00 C ATOM 313 C TYR A 20 -12.147 -10.255 1.220 1.00 0.00 C ATOM 314 O TYR A 20 -13.008 -10.931 0.658 1.00 0.00 O ATOM 315 CB TYR A 20 -12.741 -7.825 1.494 1.00 0.00 C ATOM 316 CG TYR A 20 -13.913 -7.053 2.062 1.00 0.00 C ATOM 317 CD1 TYR A 20 -13.852 -6.506 3.339 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.083 -6.886 1.333 1.00 0.00 C ATOM 319 CE1 TYR A 20 -14.923 -5.811 3.870 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.159 -6.194 1.858 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.074 -5.658 3.125 1.00 0.00 C ATOM 322 OH TYR A 20 -17.142 -4.969 3.650 1.00 0.00 O ATOM 0 H TYR A 20 -10.815 -8.271 3.058 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.448 -9.434 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.839 -7.217 1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -12.912 -8.009 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.953 -6.626 3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.154 -7.304 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.859 -5.390 4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.062 -6.074 1.278 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.022 -4.867 4.617 1.00 0.00 H new ATOM 332 N ALA A 21 -10.844 -10.404 1.018 1.00 0.00 N ATOM 333 CA ALA A 21 -10.292 -11.387 0.102 1.00 0.00 C ATOM 334 C ALA A 21 -10.095 -12.747 0.772 1.00 0.00 C ATOM 335 O ALA A 21 -9.322 -13.577 0.291 1.00 0.00 O ATOM 336 CB ALA A 21 -8.975 -10.857 -0.431 1.00 0.00 C ATOM 0 H ALA A 21 -10.137 -9.840 1.490 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.996 -11.543 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.544 -11.582 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.146 -9.916 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.287 -10.692 0.398 1.00 0.00 H new ATOM 342 N GLY A 22 -10.796 -12.974 1.880 1.00 0.00 N ATOM 343 CA GLY A 22 -10.678 -14.236 2.587 1.00 0.00 C ATOM 344 C GLY A 22 -11.882 -14.519 3.464 1.00 0.00 C ATOM 345 O GLY A 22 -12.058 -13.893 4.510 1.00 0.00 O ATOM 0 H GLY A 22 -11.443 -12.306 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.559 -15.044 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.778 -14.223 3.202 1.00 0.00 H new ATOM 419 N VAL A 28 -7.082 -15.644 -2.390 1.00 0.00 N ATOM 420 CA VAL A 28 -5.946 -15.093 -3.120 1.00 0.00 C ATOM 421 C VAL A 28 -6.310 -13.790 -3.828 1.00 0.00 C ATOM 422 O VAL A 28 -5.440 -12.966 -4.111 1.00 0.00 O ATOM 423 CB VAL A 28 -5.408 -16.093 -4.158 1.00 0.00 C ATOM 424 CG1 VAL A 28 -4.635 -17.210 -3.474 1.00 0.00 C ATOM 425 CG2 VAL A 28 -6.546 -16.657 -4.996 1.00 0.00 C ATOM 0 HA VAL A 28 -5.172 -14.891 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.725 -15.565 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.262 -17.907 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.795 -16.787 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.293 -17.738 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.146 -17.362 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.257 -17.169 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.051 -15.844 -5.517 1.00 0.00 H new ATOM 435 N THR A 29 -7.596 -13.605 -4.116 1.00 0.00 N ATOM 436 CA THR A 29 -8.058 -12.400 -4.791 1.00 0.00 C ATOM 437 C THR A 29 -9.384 -11.915 -4.223 1.00 0.00 C ATOM 438 O THR A 29 -10.179 -12.699 -3.703 1.00 0.00 O ATOM 439 CB THR A 29 -8.206 -12.647 -6.289 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.765 -13.924 -6.540 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.897 -12.559 -7.040 1.00 0.00 C ATOM 0 H THR A 29 -8.333 -14.274 -3.892 1.00 0.00 H new ATOM 0 HA THR A 29 -7.308 -11.627 -4.624 1.00 0.00 H new ATOM 0 HB THR A 29 -8.865 -11.856 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.852 -14.059 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.072 -12.745 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.470 -11.564 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.204 -13.305 -6.651 1.00 0.00 H new ATOM 449 N LEU A 30 -9.612 -10.615 -4.339 1.00 0.00 N ATOM 450 CA LEU A 30 -10.843 -9.999 -3.855 1.00 0.00 C ATOM 451 C LEU A 30 -11.746 -9.639 -5.036 1.00 0.00 C ATOM 452 O LEU A 30 -11.643 -10.244 -6.099 1.00 0.00 O ATOM 453 CB LEU A 30 -10.514 -8.742 -3.032 1.00 0.00 C ATOM 454 CG LEU A 30 -11.439 -8.438 -1.838 1.00 0.00 C ATOM 455 CD1 LEU A 30 -11.984 -7.022 -1.933 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.584 -9.439 -1.743 1.00 0.00 C ATOM 0 H LEU A 30 -8.957 -9.961 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.369 -10.708 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.495 -8.837 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.529 -7.882 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.842 -8.528 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.635 -6.825 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.156 -6.313 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.552 -6.912 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.214 -9.191 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.178 -9.400 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.180 -10.443 -1.616 1.00 0.00 H new ATOM 468 N SER A 31 -12.609 -8.646 -4.859 1.00 0.00 N ATOM 469 CA SER A 31 -13.499 -8.214 -5.929 1.00 0.00 C ATOM 470 C SER A 31 -13.719 -6.709 -5.863 1.00 0.00 C ATOM 471 O SER A 31 -13.892 -6.145 -4.783 1.00 0.00 O ATOM 472 CB SER A 31 -14.837 -8.948 -5.842 1.00 0.00 C ATOM 473 OG SER A 31 -15.804 -8.347 -6.686 1.00 0.00 O ATOM 0 H SER A 31 -12.711 -8.126 -3.987 1.00 0.00 H new ATOM 0 HA SER A 31 -13.031 -8.456 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.702 -9.992 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.193 -8.940 -4.812 1.00 0.00 H new ATOM 0 HG SER A 31 -16.650 -8.836 -6.614 1.00 0.00 H new ATOM 479 N LYS A 32 -13.706 -6.061 -7.023 1.00 0.00 N ATOM 480 CA LYS A 32 -13.899 -4.617 -7.091 1.00 0.00 C ATOM 481 C LYS A 32 -15.133 -4.196 -6.294 1.00 0.00 C ATOM 482 O LYS A 32 -15.146 -3.138 -5.664 1.00 0.00 O ATOM 483 CB LYS A 32 -14.026 -4.161 -8.550 1.00 0.00 C ATOM 484 CG LYS A 32 -15.266 -4.687 -9.260 1.00 0.00 C ATOM 485 CD LYS A 32 -14.997 -6.015 -9.954 1.00 0.00 C ATOM 486 CE LYS A 32 -15.962 -7.096 -9.493 1.00 0.00 C ATOM 487 NZ LYS A 32 -17.036 -7.344 -10.494 1.00 0.00 N ATOM 0 H LYS A 32 -13.564 -6.512 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.026 -4.136 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.039 -3.071 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.142 -4.484 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.074 -4.811 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.603 -3.955 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.084 -5.886 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.973 -6.331 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.413 -8.020 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.411 -6.802 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.673 -8.087 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.576 -6.469 -10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.610 -7.649 -11.392 1.00 0.00 H new ATOM 501 N THR A 33 -16.162 -5.038 -6.319 1.00 0.00 N ATOM 502 CA THR A 33 -17.394 -4.769 -5.597 1.00 0.00 C ATOM 503 C THR A 33 -17.193 -4.988 -4.099 1.00 0.00 C ATOM 504 O THR A 33 -17.650 -4.196 -3.281 1.00 0.00 O ATOM 505 CB THR A 33 -18.517 -5.665 -6.134 1.00 0.00 C ATOM 506 OG1 THR A 33 -19.208 -5.020 -7.189 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.542 -6.055 -5.091 1.00 0.00 C ATOM 0 H THR A 33 -16.163 -5.917 -6.836 1.00 0.00 H new ATOM 0 HA THR A 33 -17.676 -3.727 -5.750 1.00 0.00 H new ATOM 0 HB THR A 33 -18.016 -6.571 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.920 -5.606 -7.521 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.303 -6.688 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.051 -6.601 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.011 -5.157 -4.688 1.00 0.00 H new ATOM 515 N GLU A 34 -16.502 -6.065 -3.737 1.00 0.00 N ATOM 516 CA GLU A 34 -16.252 -6.355 -2.331 1.00 0.00 C ATOM 517 C GLU A 34 -15.561 -5.169 -1.668 1.00 0.00 C ATOM 518 O GLU A 34 -15.728 -4.924 -0.475 1.00 0.00 O ATOM 519 CB GLU A 34 -15.405 -7.619 -2.177 1.00 0.00 C ATOM 520 CG GLU A 34 -16.164 -8.777 -1.552 1.00 0.00 C ATOM 521 CD GLU A 34 -16.065 -10.050 -2.369 1.00 0.00 C ATOM 522 OE1 GLU A 34 -16.778 -10.159 -3.388 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.274 -10.940 -1.987 1.00 0.00 O ATOM 0 H GLU A 34 -16.110 -6.743 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.209 -6.527 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.035 -7.922 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.533 -7.392 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.776 -8.962 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.213 -8.501 -1.442 1.00 0.00 H new ATOM 530 N PHE A 35 -14.800 -4.425 -2.462 1.00 0.00 N ATOM 531 CA PHE A 35 -14.101 -3.251 -1.965 1.00 0.00 C ATOM 532 C PHE A 35 -15.093 -2.127 -1.697 1.00 0.00 C ATOM 533 O PHE A 35 -14.914 -1.328 -0.779 1.00 0.00 O ATOM 534 CB PHE A 35 -13.046 -2.791 -2.969 1.00 0.00 C ATOM 535 CG PHE A 35 -11.836 -2.204 -2.310 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.952 -1.097 -1.489 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.586 -2.760 -2.506 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.844 -0.554 -0.875 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.472 -2.224 -1.895 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.600 -1.118 -1.076 1.00 0.00 C ATOM 0 H PHE A 35 -14.653 -4.616 -3.453 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.601 -3.513 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.744 -3.638 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.485 -2.051 -3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.923 -0.653 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.480 -3.624 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.949 0.311 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.501 -2.668 -2.056 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.730 -0.696 -0.595 1.00 0.00 H new ATOM 550 N LEU A 36 -16.152 -2.083 -2.501 1.00 0.00 N ATOM 551 CA LEU A 36 -17.189 -1.068 -2.353 1.00 0.00 C ATOM 552 C LEU A 36 -17.662 -0.986 -0.923 1.00 0.00 C ATOM 553 O LEU A 36 -17.595 0.062 -0.279 1.00 0.00 O ATOM 554 CB LEU A 36 -18.390 -1.419 -3.222 1.00 0.00 C ATOM 555 CG LEU A 36 -18.444 -0.708 -4.551 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.564 0.790 -4.327 1.00 0.00 C ATOM 557 CD2 LEU A 36 -17.213 -1.050 -5.373 1.00 0.00 C ATOM 0 H LEU A 36 -16.314 -2.741 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.761 -0.113 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.388 -2.494 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.300 -1.191 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.321 -1.039 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.603 1.300 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.475 1.002 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.701 1.144 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.260 -0.532 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.318 -0.737 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.177 -2.126 -5.543 1.00 0.00 H new ATOM 569 N SER A 37 -18.159 -2.108 -0.447 1.00 0.00 N ATOM 570 CA SER A 37 -18.673 -2.190 0.903 1.00 0.00 C ATOM 571 C SER A 37 -17.562 -1.949 1.918 1.00 0.00 C ATOM 572 O SER A 37 -17.743 -1.216 2.890 1.00 0.00 O ATOM 573 CB SER A 37 -19.326 -3.552 1.146 1.00 0.00 C ATOM 574 OG SER A 37 -20.534 -3.417 1.876 1.00 0.00 O ATOM 0 H SER A 37 -18.218 -2.978 -0.977 1.00 0.00 H new ATOM 0 HA SER A 37 -19.428 -1.414 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.527 -4.038 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.637 -4.196 1.693 1.00 0.00 H new ATOM 0 HG SER A 37 -20.932 -4.301 2.016 1.00 0.00 H new ATOM 580 N PHE A 38 -16.409 -2.571 1.683 1.00 0.00 N ATOM 581 CA PHE A 38 -15.262 -2.426 2.572 1.00 0.00 C ATOM 582 C PHE A 38 -14.855 -0.963 2.701 1.00 0.00 C ATOM 583 O PHE A 38 -14.324 -0.542 3.730 1.00 0.00 O ATOM 584 CB PHE A 38 -14.076 -3.244 2.055 1.00 0.00 C ATOM 585 CG PHE A 38 -12.857 -3.143 2.926 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.935 -3.416 4.282 1.00 0.00 C ATOM 587 CD2 PHE A 38 -11.636 -2.769 2.390 1.00 0.00 C ATOM 588 CE1 PHE A 38 -11.816 -3.321 5.088 1.00 0.00 C ATOM 589 CE2 PHE A 38 -10.514 -2.671 3.191 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.604 -2.948 4.541 1.00 0.00 C ATOM 0 H PHE A 38 -16.245 -3.181 0.882 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.553 -2.797 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.372 -4.290 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.824 -2.908 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.881 -3.706 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.560 -2.552 1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.889 -3.538 6.143 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.567 -2.378 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.728 -2.873 5.168 1.00 0.00 H new ATOM 600 N MET A 39 -15.101 -0.192 1.649 1.00 0.00 N ATOM 601 CA MET A 39 -14.755 1.222 1.644 1.00 0.00 C ATOM 602 C MET A 39 -15.774 2.035 2.435 1.00 0.00 C ATOM 603 O MET A 39 -15.412 2.884 3.245 1.00 0.00 O ATOM 604 CB MET A 39 -14.675 1.741 0.206 1.00 0.00 C ATOM 605 CG MET A 39 -14.365 3.228 0.112 1.00 0.00 C ATOM 606 SD MET A 39 -12.994 3.585 -1.004 1.00 0.00 S ATOM 607 CE MET A 39 -11.667 2.691 -0.199 1.00 0.00 C ATOM 0 H MET A 39 -15.539 -0.523 0.789 1.00 0.00 H new ATOM 0 HA MET A 39 -13.781 1.335 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.907 1.184 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.622 1.543 -0.296 1.00 0.00 H new ATOM 0 HG2 MET A 39 -15.254 3.759 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.128 3.609 1.105 1.00 0.00 H new ATOM 0 HE1 MET A 39 -11.078 2.161 -0.948 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.027 3.393 0.335 1.00 0.00 H new ATOM 0 HE3 MET A 39 -12.087 1.974 0.506 1.00 0.00 H new ATOM 617 N ASN A 40 -17.049 1.774 2.184 1.00 0.00 N ATOM 618 CA ASN A 40 -18.128 2.486 2.859 1.00 0.00 C ATOM 619 C ASN A 40 -18.220 2.117 4.341 1.00 0.00 C ATOM 620 O ASN A 40 -18.821 2.848 5.129 1.00 0.00 O ATOM 621 CB ASN A 40 -19.462 2.193 2.168 1.00 0.00 C ATOM 622 CG ASN A 40 -19.561 2.844 0.802 1.00 0.00 C ATOM 623 OD1 ASN A 40 -19.691 4.063 0.690 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.501 2.032 -0.250 1.00 0.00 N ATOM 0 H ASN A 40 -17.364 1.071 1.515 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.906 3.551 2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.585 1.115 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.279 2.547 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.563 2.414 -1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.393 1.027 -0.113 1.00 0.00 H new ATOM 631 N THR A 41 -17.646 0.978 4.717 1.00 0.00 N ATOM 632 CA THR A 41 -17.698 0.525 6.106 1.00 0.00 C ATOM 633 C THR A 41 -16.472 0.946 6.904 1.00 0.00 C ATOM 634 O THR A 41 -16.567 1.210 8.104 1.00 0.00 O ATOM 635 CB THR A 41 -17.829 -0.997 6.168 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.816 -1.446 7.511 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.726 -1.728 5.433 1.00 0.00 C ATOM 0 H THR A 41 -17.143 0.355 4.086 1.00 0.00 H new ATOM 0 HA THR A 41 -18.572 0.999 6.552 1.00 0.00 H new ATOM 0 HB THR A 41 -18.778 -1.222 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.902 -2.422 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.882 -2.803 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.738 -1.442 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.762 -1.466 5.869 1.00 0.00 H new ATOM 645 N GLU A 42 -15.313 0.964 6.259 1.00 0.00 N ATOM 646 CA GLU A 42 -14.077 1.306 6.952 1.00 0.00 C ATOM 647 C GLU A 42 -13.289 2.395 6.224 1.00 0.00 C ATOM 648 O GLU A 42 -12.089 2.555 6.447 1.00 0.00 O ATOM 649 CB GLU A 42 -13.215 0.050 7.116 1.00 0.00 C ATOM 650 CG GLU A 42 -14.018 -1.246 7.232 1.00 0.00 C ATOM 651 CD GLU A 42 -13.777 -1.965 8.545 1.00 0.00 C ATOM 652 OE1 GLU A 42 -12.631 -2.402 8.781 1.00 0.00 O ATOM 653 OE2 GLU A 42 -14.735 -2.093 9.337 1.00 0.00 O ATOM 0 H GLU A 42 -15.202 0.749 5.268 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.344 1.703 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.540 -0.028 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.595 0.161 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.080 -1.021 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.755 -1.907 6.406 1.00 0.00 H new ATOM 660 N LEU A 43 -13.969 3.148 5.366 1.00 0.00 N ATOM 661 CA LEU A 43 -13.332 4.227 4.618 1.00 0.00 C ATOM 662 C LEU A 43 -14.383 5.187 4.074 1.00 0.00 C ATOM 663 O LEU A 43 -14.321 5.607 2.918 1.00 0.00 O ATOM 664 CB LEU A 43 -12.487 3.662 3.472 1.00 0.00 C ATOM 665 CG LEU A 43 -11.081 3.200 3.865 1.00 0.00 C ATOM 666 CD1 LEU A 43 -10.287 2.801 2.632 1.00 0.00 C ATOM 667 CD2 LEU A 43 -10.354 4.292 4.636 1.00 0.00 C ATOM 0 H LEU A 43 -14.963 3.031 5.171 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.675 4.773 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.019 2.819 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.399 4.424 2.697 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.175 2.328 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.291 2.475 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.797 1.985 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.204 3.656 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.357 3.944 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.271 5.183 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.912 4.532 5.541 1.00 0.00 H new ATOM 679 N ALA A 44 -15.348 5.530 4.920 1.00 0.00 N ATOM 680 CA ALA A 44 -16.418 6.440 4.535 1.00 0.00 C ATOM 681 C ALA A 44 -15.919 7.878 4.495 1.00 0.00 C ATOM 682 O ALA A 44 -16.479 8.723 3.798 1.00 0.00 O ATOM 683 CB ALA A 44 -17.589 6.307 5.498 1.00 0.00 C ATOM 0 H ALA A 44 -15.410 5.190 5.880 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.755 6.173 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.384 6.992 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.964 5.284 5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.259 6.550 6.508 1.00 0.00 H new ATOM 689 N ALA A 45 -14.855 8.146 5.243 1.00 0.00 N ATOM 690 CA ALA A 45 -14.267 9.476 5.292 1.00 0.00 C ATOM 691 C ALA A 45 -13.630 9.849 3.954 1.00 0.00 C ATOM 692 O ALA A 45 -13.309 11.012 3.713 1.00 0.00 O ATOM 693 CB ALA A 45 -13.241 9.544 6.413 1.00 0.00 C ATOM 0 H ALA A 45 -14.381 7.456 5.826 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.060 10.197 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.803 10.542 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.727 9.330 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.456 8.809 6.233 1.00 0.00 H new ATOM 699 N PHE A 46 -13.445 8.854 3.089 1.00 0.00 N ATOM 700 CA PHE A 46 -12.843 9.080 1.779 1.00 0.00 C ATOM 701 C PHE A 46 -13.865 8.894 0.657 1.00 0.00 C ATOM 702 O PHE A 46 -13.500 8.838 -0.518 1.00 0.00 O ATOM 703 CB PHE A 46 -11.668 8.121 1.569 1.00 0.00 C ATOM 704 CG PHE A 46 -10.528 8.345 2.522 1.00 0.00 C ATOM 705 CD1 PHE A 46 -10.706 8.189 3.888 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.278 8.710 2.051 1.00 0.00 C ATOM 707 CE1 PHE A 46 -9.659 8.395 4.765 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.226 8.916 2.924 1.00 0.00 C ATOM 709 CZ PHE A 46 -8.417 8.759 4.283 1.00 0.00 C ATOM 0 H PHE A 46 -13.703 7.884 3.272 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.486 10.109 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.023 7.096 1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.302 8.227 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.675 7.903 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.123 8.835 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.811 8.272 5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.256 9.199 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.597 8.921 4.967 1.00 0.00 H new ATOM 719 N THR A 47 -15.142 8.793 1.019 1.00 0.00 N ATOM 720 CA THR A 47 -16.201 8.604 0.029 1.00 0.00 C ATOM 721 C THR A 47 -17.459 9.396 0.387 1.00 0.00 C ATOM 722 O THR A 47 -18.161 9.889 -0.496 1.00 0.00 O ATOM 723 CB THR A 47 -16.543 7.120 -0.102 1.00 0.00 C ATOM 724 OG1 THR A 47 -17.207 6.655 1.061 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.330 6.241 -0.319 1.00 0.00 C ATOM 0 H THR A 47 -15.468 8.838 1.984 1.00 0.00 H new ATOM 0 HA THR A 47 -15.829 8.978 -0.925 1.00 0.00 H new ATOM 0 HB THR A 47 -17.184 7.048 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.419 5.704 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.645 5.201 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.822 6.542 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.649 6.346 0.525 1.00 0.00 H new ATOM 841 N VAL A 55 -9.656 10.175 -6.496 1.00 0.00 N ATOM 842 CA VAL A 55 -9.089 9.261 -5.509 1.00 0.00 C ATOM 843 C VAL A 55 -9.711 7.875 -5.633 1.00 0.00 C ATOM 844 O VAL A 55 -9.010 6.867 -5.712 1.00 0.00 O ATOM 845 CB VAL A 55 -9.262 9.802 -4.055 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.683 11.255 -4.064 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.253 8.982 -3.238 1.00 0.00 C ATOM 0 HA VAL A 55 -8.021 9.186 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.287 9.712 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.797 11.607 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.924 11.851 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.633 11.355 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.334 9.403 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.230 9.005 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.905 7.951 -3.172 1.00 0.00 H new ATOM 857 N LEU A 56 -11.036 7.841 -5.641 1.00 0.00 N ATOM 858 CA LEU A 56 -11.778 6.601 -5.741 1.00 0.00 C ATOM 859 C LEU A 56 -11.735 6.055 -7.162 1.00 0.00 C ATOM 860 O LEU A 56 -11.397 4.894 -7.387 1.00 0.00 O ATOM 861 CB LEU A 56 -13.223 6.866 -5.316 1.00 0.00 C ATOM 862 CG LEU A 56 -14.279 6.005 -6.004 1.00 0.00 C ATOM 863 CD1 LEU A 56 -15.420 5.697 -5.049 1.00 0.00 C ATOM 864 CD2 LEU A 56 -14.797 6.693 -7.260 1.00 0.00 C ATOM 0 H LEU A 56 -11.622 8.673 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.327 5.854 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.300 6.714 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.453 7.914 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.817 5.063 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.163 5.082 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.034 5.159 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.882 6.628 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.549 6.063 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.243 7.651 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.971 6.858 -7.952 1.00 0.00 H new ATOM 876 N ASP A 57 -12.087 6.904 -8.113 1.00 0.00 N ATOM 877 CA ASP A 57 -12.100 6.525 -9.519 1.00 0.00 C ATOM 878 C ASP A 57 -10.734 6.008 -9.966 1.00 0.00 C ATOM 879 O ASP A 57 -10.641 5.179 -10.871 1.00 0.00 O ATOM 880 CB ASP A 57 -12.515 7.720 -10.374 1.00 0.00 C ATOM 881 CG ASP A 57 -13.318 7.310 -11.593 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.903 6.207 -11.575 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.361 8.091 -12.567 1.00 0.00 O ATOM 0 H ASP A 57 -12.370 7.868 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.822 5.719 -9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.105 8.408 -9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.624 8.260 -10.694 1.00 0.00 H new ATOM 888 N ARG A 58 -9.678 6.503 -9.328 1.00 0.00 N ATOM 889 CA ARG A 58 -8.317 6.090 -9.665 1.00 0.00 C ATOM 890 C ARG A 58 -8.137 4.585 -9.492 1.00 0.00 C ATOM 891 O ARG A 58 -7.669 3.899 -10.402 1.00 0.00 O ATOM 892 CB ARG A 58 -7.304 6.837 -8.794 1.00 0.00 C ATOM 893 CG ARG A 58 -6.405 7.781 -9.578 1.00 0.00 C ATOM 894 CD ARG A 58 -4.970 7.280 -9.622 1.00 0.00 C ATOM 895 NE ARG A 58 -4.684 6.545 -10.853 1.00 0.00 N ATOM 896 CZ ARG A 58 -4.408 7.127 -12.017 1.00 0.00 C ATOM 897 NH1 ARG A 58 -4.384 8.450 -12.117 1.00 0.00 N ATOM 898 NH2 ARG A 58 -4.157 6.384 -13.087 1.00 0.00 N ATOM 0 H ARG A 58 -9.737 7.189 -8.576 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.143 6.338 -10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.840 7.406 -8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.684 6.111 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.785 7.887 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.431 8.771 -9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.288 8.126 -9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.785 6.635 -8.763 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.697 5.526 -10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.578 9.027 -11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.172 8.890 -13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.176 5.367 -13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.945 6.830 -13.979 1.00 0.00 H new ATOM 911 N MET A 59 -8.501 4.079 -8.319 1.00 0.00 N ATOM 912 CA MET A 59 -8.370 2.655 -8.025 1.00 0.00 C ATOM 913 C MET A 59 -9.084 1.810 -9.070 1.00 0.00 C ATOM 914 O MET A 59 -8.500 0.894 -9.650 1.00 0.00 O ATOM 915 CB MET A 59 -8.908 2.346 -6.620 1.00 0.00 C ATOM 916 CG MET A 59 -10.398 2.020 -6.551 1.00 0.00 C ATOM 917 SD MET A 59 -10.939 1.536 -4.898 1.00 0.00 S ATOM 918 CE MET A 59 -9.948 2.625 -3.883 1.00 0.00 C ATOM 0 H MET A 59 -8.889 4.633 -7.556 1.00 0.00 H new ATOM 0 HA MET A 59 -7.311 2.400 -8.056 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.349 1.504 -6.212 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.710 3.203 -5.976 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.970 2.890 -6.874 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.621 1.214 -7.251 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.464 2.048 -3.095 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.189 3.106 -4.499 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.587 3.386 -3.435 1.00 0.00 H new ATOM 928 N MET A 60 -10.351 2.119 -9.298 1.00 0.00 N ATOM 929 CA MET A 60 -11.152 1.381 -10.264 1.00 0.00 C ATOM 930 C MET A 60 -10.587 1.521 -11.674 1.00 0.00 C ATOM 931 O MET A 60 -10.754 0.632 -12.509 1.00 0.00 O ATOM 932 CB MET A 60 -12.602 1.855 -10.211 1.00 0.00 C ATOM 933 CG MET A 60 -13.308 1.447 -8.928 1.00 0.00 C ATOM 934 SD MET A 60 -14.449 0.073 -9.173 1.00 0.00 S ATOM 935 CE MET A 60 -13.393 -1.088 -10.035 1.00 0.00 C ATOM 0 H MET A 60 -10.847 2.876 -8.828 1.00 0.00 H new ATOM 0 HA MET A 60 -11.118 0.324 -10.001 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.628 2.941 -10.306 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.144 1.447 -11.064 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.565 1.169 -8.181 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.855 2.302 -8.530 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.969 -1.973 -10.306 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.000 -0.621 -10.938 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.566 -1.378 -9.387 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.342 -11.184 -11.380 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.380 -11.019 -9.930 1.00 0.00 C ATOM 1085 C GLN A 70 -9.410 -9.936 -9.468 1.00 0.00 C ATOM 1086 O GLN A 70 -8.541 -9.502 -10.224 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.046 -12.345 -9.239 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.271 -13.107 -8.756 1.00 0.00 C ATOM 1089 CD GLN A 70 -11.987 -12.387 -7.633 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.841 -11.433 -7.988 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -11.778 -12.686 -6.456 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.389 -10.711 -9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.487 -12.975 -9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.393 -12.147 -8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.959 -13.251 -9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.970 -14.098 -8.416 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.113 -13.425 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.270 -12.194 -5.710 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.558 -9.517 -8.214 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.694 -8.503 -7.639 1.00 0.00 C ATOM 1102 C LEU A 71 -7.270 -9.067 -7.528 1.00 0.00 C ATOM 1103 O LEU A 71 -6.820 -9.761 -8.437 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.261 -8.066 -6.277 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.091 -6.769 -6.270 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.241 -5.602 -5.791 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.689 -6.479 -7.641 1.00 0.00 C ATOM 0 H LEU A 71 -10.273 -9.869 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.653 -7.618 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.883 -8.873 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.429 -7.944 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.921 -6.905 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.840 -4.691 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.885 -5.802 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.388 -5.475 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.268 -5.556 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.888 -6.371 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.340 -7.302 -7.936 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.565 -8.797 -6.426 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.203 -9.324 -6.256 1.00 0.00 C ATOM 1121 C ASP A 72 -4.519 -8.742 -5.014 1.00 0.00 C ATOM 1122 O ASP A 72 -5.186 -8.307 -4.078 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.354 -9.070 -7.516 1.00 0.00 C ATOM 1124 CG ASP A 72 -4.417 -7.635 -7.996 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -5.420 -7.269 -8.641 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -3.456 -6.881 -7.735 1.00 0.00 O ATOM 0 H ASP A 72 -6.904 -8.228 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.288 -10.401 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.317 -9.331 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.694 -9.729 -8.315 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.185 -8.768 -4.997 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.419 -8.270 -3.858 1.00 0.00 C ATOM 1133 C PHE A 73 -2.176 -6.751 -3.888 1.00 0.00 C ATOM 1134 O PHE A 73 -2.552 -6.042 -2.951 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.085 -9.013 -3.760 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.099 -8.644 -4.831 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.190 -9.192 -6.101 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.918 -7.740 -4.567 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.714 -8.848 -7.086 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.826 -7.391 -5.549 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.724 -7.946 -6.810 1.00 0.00 C ATOM 0 H PHE A 73 -2.614 -9.130 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.026 -8.463 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.640 -8.812 -2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.274 -10.085 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.978 -9.897 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.002 -7.303 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.632 -9.283 -8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.614 -6.685 -5.331 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.432 -7.675 -7.579 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.506 -6.253 -4.933 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.185 -4.828 -5.010 1.00 0.00 C ATOM 1153 C GLN A 74 -2.373 -3.972 -5.409 1.00 0.00 C ATOM 1154 O GLN A 74 -2.501 -2.850 -4.930 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.025 -4.562 -5.972 1.00 0.00 C ATOM 1156 CG GLN A 74 0.330 -3.079 -6.099 1.00 0.00 C ATOM 1157 CD GLN A 74 0.388 -2.363 -4.754 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.236 -1.185 -4.667 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.987 -2.863 -3.802 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.181 -6.808 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.891 -4.543 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.853 -5.110 -5.631 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.282 -4.952 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.295 -2.983 -6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.407 -2.588 -6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.451 -3.765 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.019 -2.375 -2.907 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.247 -4.476 -6.277 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.401 -3.696 -6.688 1.00 0.00 C ATOM 1170 C GLU A 75 -5.111 -3.131 -5.464 1.00 0.00 C ATOM 1171 O GLU A 75 -5.739 -2.086 -5.535 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.358 -4.532 -7.544 1.00 0.00 C ATOM 1173 CG GLU A 75 -6.345 -5.373 -6.754 1.00 0.00 C ATOM 1174 CD GLU A 75 -5.722 -6.086 -5.573 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -4.501 -6.326 -5.603 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -6.455 -6.392 -4.611 1.00 0.00 O ATOM 0 H GLU A 75 -3.178 -5.402 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.056 -2.865 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.915 -3.863 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.771 -5.191 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.152 -4.733 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.794 -6.111 -7.418 1.00 0.00 H new ATOM 1183 N PHE A 76 -4.970 -3.814 -4.328 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.568 -3.354 -3.090 1.00 0.00 C ATOM 1185 C PHE A 76 -4.731 -2.226 -2.529 1.00 0.00 C ATOM 1186 O PHE A 76 -5.229 -1.127 -2.284 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.668 -4.490 -2.076 1.00 0.00 C ATOM 1188 CG PHE A 76 -6.938 -4.444 -1.278 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.079 -3.553 -0.228 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -7.993 -5.287 -1.584 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -8.249 -3.503 0.504 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.165 -5.242 -0.855 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.294 -4.350 0.190 1.00 0.00 C ATOM 0 H PHE A 76 -4.446 -4.686 -4.247 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.578 -2.999 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.607 -5.445 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.816 -4.442 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.264 -2.889 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.898 -5.987 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.347 -2.803 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.981 -5.905 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.210 -4.314 0.761 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.439 -2.493 -2.365 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.523 -1.480 -1.877 1.00 0.00 C ATOM 1205 C LEU A 77 -2.574 -0.280 -2.814 1.00 0.00 C ATOM 1206 O LEU A 77 -2.466 0.863 -2.386 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.105 -2.041 -1.770 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.757 -2.608 -0.393 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.504 -3.458 -0.457 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.604 -1.478 0.611 1.00 0.00 C ATOM 0 H LEU A 77 -3.010 -3.397 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.821 -1.165 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.980 -2.826 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.395 -1.252 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.572 -3.254 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.730 -3.849 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.349 -4.287 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.337 -2.847 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.356 -1.891 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.193 -0.809 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.539 -0.922 0.678 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.785 -0.561 -4.098 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.909 0.481 -5.108 1.00 0.00 C ATOM 1224 C ASN A 78 -4.292 1.112 -4.999 1.00 0.00 C ATOM 1225 O ASN A 78 -4.441 2.333 -5.058 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.688 -0.102 -6.515 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.576 0.526 -7.575 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -3.304 1.625 -8.060 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -4.646 -0.173 -7.941 1.00 0.00 N ATOM 0 H ASN A 78 -2.874 -1.509 -4.463 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.148 1.243 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.644 0.036 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.871 -1.176 -6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.279 0.197 -8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.834 -1.080 -7.513 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.305 0.260 -4.831 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.679 0.722 -4.703 1.00 0.00 C ATOM 1238 C LEU A 79 -6.794 1.679 -3.520 1.00 0.00 C ATOM 1239 O LEU A 79 -7.200 2.828 -3.679 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.644 -0.464 -4.512 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.474 -0.887 -5.742 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.616 -1.031 -6.986 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.181 -2.202 -5.472 1.00 0.00 C ATOM 0 H LEU A 79 -5.195 -0.753 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.953 1.242 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.064 -1.325 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.334 -0.215 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.205 -0.098 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.242 -1.330 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.138 -0.078 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.852 -1.789 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.763 -2.489 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.443 -2.975 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.846 -2.088 -4.616 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.417 1.197 -2.337 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.465 2.007 -1.128 1.00 0.00 C ATOM 1257 C ILE A 80 -5.287 2.974 -1.069 1.00 0.00 C ATOM 1258 O ILE A 80 -5.458 4.151 -0.752 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.508 1.148 0.155 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -7.052 1.979 1.312 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.137 0.605 0.505 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.994 2.820 1.993 1.00 0.00 C ATOM 0 H ILE A 80 -6.075 0.247 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.392 2.578 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.166 0.299 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.842 2.632 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.506 1.314 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.204 0.005 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.772 -0.015 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.448 1.434 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.447 3.386 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.215 2.171 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.557 3.509 1.271 1.00 0.00 H new ATOM 1274 N GLY A 81 -4.093 2.479 -1.393 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.920 3.335 -1.381 1.00 0.00 C ATOM 1276 C GLY A 81 -3.154 4.573 -2.210 1.00 0.00 C ATOM 1277 O GLY A 81 -2.943 5.693 -1.743 1.00 0.00 O ATOM 0 H GLY A 81 -3.919 1.510 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.681 3.618 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.061 2.788 -1.770 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.627 4.373 -3.440 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.920 5.505 -4.302 1.00 0.00 C ATOM 1283 C GLY A 82 -4.804 6.522 -3.600 1.00 0.00 C ATOM 1284 O GLY A 82 -4.580 7.728 -3.709 1.00 0.00 O ATOM 0 H GLY A 82 -3.810 3.457 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.989 5.981 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.414 5.156 -5.209 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.801 6.040 -2.856 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.691 6.932 -2.116 1.00 0.00 C ATOM 1290 C LEU A 83 -5.893 7.802 -1.153 1.00 0.00 C ATOM 1291 O LEU A 83 -6.093 9.015 -1.086 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.735 6.132 -1.337 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.275 4.909 -2.069 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.436 4.294 -1.309 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.690 5.281 -3.484 1.00 0.00 C ATOM 0 H LEU A 83 -6.010 5.047 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.202 7.571 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.296 5.809 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.569 6.790 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.482 4.164 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.805 3.423 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.101 3.990 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.237 5.027 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.074 4.398 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.467 6.045 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.827 5.668 -4.026 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.982 7.178 -0.408 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.156 7.909 0.549 1.00 0.00 C ATOM 1309 C ALA A 84 -3.410 9.046 -0.130 1.00 0.00 C ATOM 1310 O ALA A 84 -3.143 10.083 0.478 1.00 0.00 O ATOM 1311 CB ALA A 84 -3.149 6.980 1.196 1.00 0.00 C ATOM 0 H ALA A 84 -4.799 6.175 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.820 8.321 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.541 7.540 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.675 6.181 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.506 6.549 0.429 1.00 0.00 H new ATOM 1317 N VAL A 85 -3.069 8.834 -1.389 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.340 9.829 -2.162 1.00 0.00 C ATOM 1319 C VAL A 85 -3.277 10.843 -2.787 1.00 0.00 C ATOM 1320 O VAL A 85 -2.854 11.920 -3.206 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.457 9.207 -3.269 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.011 9.599 -3.042 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.580 7.688 -3.326 1.00 0.00 C ATOM 0 H VAL A 85 -3.285 7.979 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.684 10.327 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.807 9.594 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.612 9.161 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.081 10.685 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.316 9.234 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.941 7.301 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.272 7.262 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.615 7.414 -3.528 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.544 10.490 -2.855 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.538 11.361 -3.435 1.00 0.00 C ATOM 1335 C ALA A 86 -6.538 11.832 -2.383 1.00 0.00 C ATOM 1336 O ALA A 86 -7.594 12.370 -2.712 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.224 10.618 -4.555 1.00 0.00 C ATOM 0 H ALA A 86 -4.908 9.601 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.059 12.256 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.980 11.259 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.489 10.336 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.699 9.721 -4.159 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.189 11.632 -1.114 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.048 12.041 -0.009 1.00 0.00 C ATOM 1345 C CYS A 87 -6.242 12.255 1.273 1.00 0.00 C ATOM 1346 O CYS A 87 -6.528 13.171 2.044 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.141 10.997 0.230 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.774 11.491 -0.371 1.00 0.00 S ATOM 0 H CYS A 87 -5.316 11.189 -0.827 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.511 12.989 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.852 10.066 -0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.205 10.791 1.298 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.631 10.545 -0.126 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.236 11.410 1.502 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.409 11.527 2.700 1.00 0.00 C ATOM 1356 C HIS A 88 -3.197 12.416 2.445 1.00 0.00 C ATOM 1357 O HIS A 88 -2.782 12.606 1.302 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.954 10.146 3.173 1.00 0.00 C ATOM 1359 CG HIS A 88 -3.767 10.053 4.654 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -2.777 10.518 5.454 1.00 0.00 N flip ATOM 1361 CD2 HIS A 88 -4.664 9.419 5.489 1.00 0.00 C flip ATOM 1362 CE1 HIS A 88 -3.093 10.160 6.742 1.00 0.00 C flip ATOM 1363 NE2 HIS A 88 -4.236 9.500 6.736 1.00 0.00 N flip ATOM 0 H HIS A 88 -4.977 10.645 0.879 1.00 0.00 H new ATOM 0 HA HIS A 88 -5.015 11.988 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.688 9.404 2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.015 9.893 2.680 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -1.951 11.037 5.155 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.575 8.932 5.172 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.502 10.383 7.618 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.636 12.961 3.520 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.472 13.834 3.419 1.00 0.00 C ATOM 1374 C GLU A 89 -0.291 13.102 2.789 1.00 0.00 C ATOM 1375 O GLU A 89 0.478 12.433 3.479 1.00 0.00 O ATOM 1376 CB GLU A 89 -1.085 14.366 4.801 1.00 0.00 C ATOM 1377 CG GLU A 89 -0.960 15.879 4.857 1.00 0.00 C ATOM 1378 CD GLU A 89 0.136 16.407 3.953 1.00 0.00 C ATOM 1379 OE1 GLU A 89 0.438 15.746 2.937 1.00 0.00 O ATOM 1380 OE2 GLU A 89 0.692 17.483 4.259 1.00 0.00 O ATOM 0 H GLU A 89 -2.970 12.813 4.473 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.735 14.674 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.832 14.044 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.136 13.920 5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.910 16.329 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.758 16.186 5.883 1.00 0.00 H new ATOM 1387 N SER A 90 -0.154 13.237 1.475 1.00 0.00 N ATOM 1388 CA SER A 90 0.933 12.594 0.746 1.00 0.00 C ATOM 1389 C SER A 90 1.316 13.415 -0.480 1.00 0.00 C ATOM 1390 O SER A 90 2.405 13.984 -0.544 1.00 0.00 O ATOM 1391 CB SER A 90 0.529 11.179 0.327 1.00 0.00 C ATOM 1392 OG SER A 90 -0.066 10.477 1.403 1.00 0.00 O ATOM 0 H SER A 90 -0.784 13.787 0.891 1.00 0.00 H new ATOM 0 HA SER A 90 1.798 12.532 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.169 11.230 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.407 10.636 -0.024 1.00 0.00 H new ATOM 0 HG SER A 90 -1.008 10.301 1.198 1.00 0.00 H new ATOM 1398 N PHE A 91 0.410 13.474 -1.450 1.00 0.00 N ATOM 1399 CA PHE A 91 0.648 14.230 -2.673 1.00 0.00 C ATOM 1400 C PHE A 91 -0.414 15.308 -2.865 1.00 0.00 C ATOM 1401 O PHE A 91 -0.138 16.375 -3.413 1.00 0.00 O ATOM 1402 CB PHE A 91 0.667 13.294 -3.884 1.00 0.00 C ATOM 1403 CG PHE A 91 2.013 13.204 -4.546 1.00 0.00 C ATOM 1404 CD1 PHE A 91 2.692 14.353 -4.918 1.00 0.00 C ATOM 1405 CD2 PHE A 91 2.599 11.973 -4.791 1.00 0.00 C ATOM 1406 CE1 PHE A 91 3.932 14.276 -5.524 1.00 0.00 C ATOM 1407 CE2 PHE A 91 3.839 11.890 -5.398 1.00 0.00 C ATOM 1408 CZ PHE A 91 4.506 13.043 -5.764 1.00 0.00 C ATOM 0 H PHE A 91 -0.496 13.007 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 91 1.620 14.716 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.358 12.297 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -0.066 13.640 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.247 15.320 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.082 11.069 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.451 15.179 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.285 10.925 -5.586 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.475 12.980 -6.237 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.630 15.021 -2.411 1.00 0.00 N ATOM 1419 CA VAL A 92 -2.736 15.964 -2.534 1.00 0.00 C ATOM 1420 C VAL A 92 -2.362 17.338 -1.986 1.00 0.00 C ATOM 1421 O VAL A 92 -2.922 18.354 -2.399 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.000 15.462 -1.804 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.785 14.513 -2.692 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -3.641 14.794 -0.481 1.00 0.00 C ATOM 0 H VAL A 92 -1.874 14.142 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.950 16.047 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.628 16.325 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.673 14.169 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.085 15.031 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.162 13.657 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.551 14.450 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.986 13.943 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.129 15.511 0.161 1.00 0.00 H new ATOM 1638 N THR B 4 -10.601 4.646 12.740 1.00 0.00 N ATOM 1639 CA THR B 4 -11.114 3.428 12.117 1.00 0.00 C ATOM 1640 C THR B 4 -9.995 2.433 11.867 1.00 0.00 C ATOM 1641 O THR B 4 -8.863 2.806 11.559 1.00 0.00 O ATOM 1642 CB THR B 4 -11.876 3.731 10.816 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.944 2.578 9.996 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.276 4.843 9.982 1.00 0.00 C ATOM 0 HA THR B 4 -11.822 2.980 12.815 1.00 0.00 H new ATOM 0 HB THR B 4 -12.863 4.054 11.148 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.434 2.790 9.174 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.877 4.989 9.084 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.261 5.765 10.562 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.258 4.576 9.698 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.331 1.160 12.024 1.00 0.00 N ATOM 1653 CA GLU B 5 -9.380 0.075 11.842 1.00 0.00 C ATOM 1654 C GLU B 5 -8.538 0.279 10.589 1.00 0.00 C ATOM 1655 O GLU B 5 -7.321 0.101 10.616 1.00 0.00 O ATOM 1656 CB GLU B 5 -10.139 -1.245 11.767 1.00 0.00 C ATOM 1657 CG GLU B 5 -9.544 -2.342 12.634 1.00 0.00 C ATOM 1658 CD GLU B 5 -10.071 -2.312 14.055 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -11.308 -2.325 14.230 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -9.248 -2.275 14.993 1.00 0.00 O ATOM 0 H GLU B 5 -11.269 0.852 12.281 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.698 0.059 12.692 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -11.173 -1.077 12.068 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -10.160 -1.584 10.731 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -9.765 -3.312 12.189 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.459 -2.239 12.650 1.00 0.00 H new ATOM 1667 N THR B 6 -9.186 0.668 9.498 1.00 0.00 N ATOM 1668 CA THR B 6 -8.484 0.908 8.249 1.00 0.00 C ATOM 1669 C THR B 6 -7.656 2.185 8.343 1.00 0.00 C ATOM 1670 O THR B 6 -6.541 2.243 7.829 1.00 0.00 O ATOM 1671 CB THR B 6 -9.475 1.006 7.087 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.379 -0.085 7.101 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.802 1.020 5.734 1.00 0.00 C ATOM 0 H THR B 6 -10.193 0.823 9.455 1.00 0.00 H new ATOM 0 HA THR B 6 -7.814 0.068 8.064 1.00 0.00 H new ATOM 0 HB THR B 6 -9.997 1.952 7.232 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.414 -0.492 6.210 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.558 1.091 4.952 1.00 0.00 H new ATOM 0 HG22 THR B 6 -8.132 1.877 5.670 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.230 0.102 5.603 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.195 3.206 9.016 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.479 4.470 9.169 1.00 0.00 C ATOM 1683 C GLU B 7 -6.084 4.227 9.723 1.00 0.00 C ATOM 1684 O GLU B 7 -5.089 4.657 9.141 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.249 5.418 10.084 1.00 0.00 C ATOM 1686 CG GLU B 7 -8.936 6.545 9.330 1.00 0.00 C ATOM 1687 CD GLU B 7 -7.977 7.653 8.939 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -6.751 7.413 8.960 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.452 8.761 8.610 1.00 0.00 O ATOM 0 H GLU B 7 -9.114 3.181 9.458 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.391 4.932 8.186 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.997 4.851 10.639 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.563 5.844 10.817 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.407 6.143 8.433 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.732 6.960 9.949 1.00 0.00 H new ATOM 1696 N ARG B 8 -6.019 3.519 10.842 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.740 3.201 11.463 1.00 0.00 C ATOM 1698 C ARG B 8 -3.847 2.432 10.490 1.00 0.00 C ATOM 1699 O ARG B 8 -2.621 2.478 10.589 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.955 2.380 12.736 1.00 0.00 C ATOM 1701 CG ARG B 8 -3.770 2.415 13.689 1.00 0.00 C ATOM 1702 CD ARG B 8 -3.639 1.115 14.467 1.00 0.00 C ATOM 1703 NE ARG B 8 -4.007 1.278 15.872 1.00 0.00 N ATOM 1704 CZ ARG B 8 -3.202 1.804 16.794 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -1.986 2.220 16.463 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -3.615 1.912 18.049 1.00 0.00 N ATOM 0 H ARG B 8 -6.833 3.155 11.337 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.246 4.136 11.726 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.839 2.753 13.254 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -5.159 1.345 12.461 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -2.855 2.596 13.126 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -3.886 3.246 14.385 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -4.274 0.355 14.012 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -2.612 0.755 14.401 1.00 0.00 H new ATOM 0 HE ARG B 8 -4.935 0.971 16.164 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -1.664 2.138 15.499 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -1.374 2.622 17.173 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -4.548 1.592 18.308 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -2.999 2.315 18.756 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.472 1.719 9.552 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.735 0.934 8.566 1.00 0.00 C ATOM 1721 C CYS B 9 -3.098 1.824 7.501 1.00 0.00 C ATOM 1722 O CYS B 9 -1.894 1.746 7.259 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.656 -0.090 7.897 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.370 -1.303 9.032 1.00 0.00 S ATOM 0 H CYS B 9 -5.486 1.670 9.456 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.939 0.412 9.096 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -5.465 0.440 7.395 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.094 -0.618 7.126 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.389 -0.777 9.644 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.907 2.660 6.855 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.405 3.545 5.811 1.00 0.00 C ATOM 1732 C ILE B 10 -2.248 4.402 6.310 1.00 0.00 C ATOM 1733 O ILE B 10 -1.164 4.393 5.734 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.510 4.483 5.282 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.785 3.705 4.971 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -4.028 5.224 4.046 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.906 3.976 5.937 1.00 0.00 C ATOM 0 H ILE B 10 -4.907 2.742 7.036 1.00 0.00 H new ATOM 0 HA ILE B 10 -3.059 2.898 5.005 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.738 5.211 6.061 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -6.117 3.955 3.963 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.561 2.638 4.978 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.819 5.882 3.685 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.149 5.817 4.297 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.770 4.505 3.268 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.780 3.389 5.654 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.593 3.699 6.944 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.158 5.036 5.914 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.492 5.150 7.380 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.480 6.034 7.951 1.00 0.00 C ATOM 1751 C GLU B 11 -0.174 5.299 8.226 1.00 0.00 C ATOM 1752 O GLU B 11 0.898 5.905 8.235 1.00 0.00 O ATOM 1753 CB GLU B 11 -2.004 6.672 9.240 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.428 8.120 9.068 1.00 0.00 C ATOM 1755 CD GLU B 11 -2.196 8.950 10.315 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -1.020 9.221 10.639 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -3.191 9.330 10.969 1.00 0.00 O ATOM 0 H GLU B 11 -3.385 5.162 7.872 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.273 6.813 7.218 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.853 6.093 9.604 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.229 6.617 10.005 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.877 8.559 8.237 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.485 8.156 8.804 1.00 0.00 H new ATOM 1764 N SER B 12 -0.265 4.000 8.466 1.00 0.00 N ATOM 1765 CA SER B 12 0.915 3.201 8.759 1.00 0.00 C ATOM 1766 C SER B 12 1.898 3.170 7.584 1.00 0.00 C ATOM 1767 O SER B 12 3.070 3.494 7.750 1.00 0.00 O ATOM 1768 CB SER B 12 0.500 1.776 9.133 1.00 0.00 C ATOM 1769 OG SER B 12 0.777 1.503 10.496 1.00 0.00 O ATOM 0 H SER B 12 -1.141 3.478 8.464 1.00 0.00 H new ATOM 0 HA SER B 12 1.427 3.668 9.600 1.00 0.00 H new ATOM 0 HB2 SER B 12 -0.565 1.642 8.942 1.00 0.00 H new ATOM 0 HB3 SER B 12 1.029 1.063 8.501 1.00 0.00 H new ATOM 0 HG SER B 12 1.744 1.550 10.649 1.00 0.00 H new ATOM 1775 N LEU B 13 1.428 2.753 6.408 1.00 0.00 N ATOM 1776 CA LEU B 13 2.285 2.651 5.231 1.00 0.00 C ATOM 1777 C LEU B 13 2.630 4.005 4.604 1.00 0.00 C ATOM 1778 O LEU B 13 3.675 4.154 3.977 1.00 0.00 O ATOM 1779 CB LEU B 13 1.619 1.753 4.203 1.00 0.00 C ATOM 1780 CG LEU B 13 2.005 0.283 4.305 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.495 0.107 4.086 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.618 -0.296 5.649 1.00 0.00 C ATOM 0 H LEU B 13 0.458 2.481 6.247 1.00 0.00 H new ATOM 0 HA LEU B 13 3.231 2.222 5.562 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.538 1.840 4.309 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.871 2.114 3.206 1.00 0.00 H new ATOM 0 HG LEU B 13 1.461 -0.253 3.528 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.752 -0.950 4.163 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.763 0.475 3.096 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.043 0.669 4.842 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.907 -1.346 5.690 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.128 0.252 6.442 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.540 -0.211 5.785 1.00 0.00 H new ATOM 1794 N ILE B 14 1.769 4.992 4.757 1.00 0.00 N ATOM 1795 CA ILE B 14 2.039 6.300 4.194 1.00 0.00 C ATOM 1796 C ILE B 14 3.209 6.951 4.886 1.00 0.00 C ATOM 1797 O ILE B 14 3.975 7.692 4.283 1.00 0.00 O ATOM 1798 CB ILE B 14 0.869 7.255 4.386 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.453 6.606 4.042 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.085 8.495 3.562 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.582 7.220 4.819 1.00 0.00 C ATOM 0 H ILE B 14 0.886 4.915 5.261 1.00 0.00 H new ATOM 0 HA ILE B 14 2.233 6.130 3.135 1.00 0.00 H new ATOM 0 HB ILE B 14 0.825 7.527 5.441 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.645 6.711 2.974 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.402 5.538 4.254 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.245 9.176 3.702 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.006 8.985 3.877 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.160 8.224 2.509 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.518 6.731 4.549 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.401 7.092 5.886 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.648 8.283 4.587 1.00 0.00 H new ATOM 1813 N ALA B 15 3.291 6.703 6.174 1.00 0.00 N ATOM 1814 CA ALA B 15 4.303 7.302 7.006 1.00 0.00 C ATOM 1815 C ALA B 15 5.649 6.610 6.872 1.00 0.00 C ATOM 1816 O ALA B 15 6.690 7.266 6.928 1.00 0.00 O ATOM 1817 CB ALA B 15 3.789 7.327 8.424 1.00 0.00 C ATOM 0 H ALA B 15 2.656 6.079 6.672 1.00 0.00 H new ATOM 0 HA ALA B 15 4.491 8.324 6.678 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.539 7.777 9.075 1.00 0.00 H new ATOM 0 HB2 ALA B 15 2.871 7.913 8.468 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.585 6.309 8.755 1.00 0.00 H new ATOM 1823 N VAL B 16 5.640 5.302 6.634 1.00 0.00 N ATOM 1824 CA VAL B 16 6.881 4.581 6.425 1.00 0.00 C ATOM 1825 C VAL B 16 7.662 5.302 5.337 1.00 0.00 C ATOM 1826 O VAL B 16 8.888 5.398 5.370 1.00 0.00 O ATOM 1827 CB VAL B 16 6.613 3.136 5.974 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.759 2.404 6.982 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.930 3.127 4.626 1.00 0.00 C ATOM 0 H VAL B 16 4.797 4.730 6.582 1.00 0.00 H new ATOM 0 HA VAL B 16 7.440 4.547 7.360 1.00 0.00 H new ATOM 0 HB VAL B 16 7.572 2.625 5.896 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.584 1.384 6.639 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.271 2.380 7.944 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.804 2.918 7.092 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.746 2.098 4.318 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.982 3.660 4.695 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.569 3.617 3.891 1.00 0.00 H new ATOM 1839 N PHE B 17 6.898 5.819 4.376 1.00 0.00 N ATOM 1840 CA PHE B 17 7.453 6.562 3.253 1.00 0.00 C ATOM 1841 C PHE B 17 7.821 7.986 3.676 1.00 0.00 C ATOM 1842 O PHE B 17 8.977 8.393 3.570 1.00 0.00 O ATOM 1843 CB PHE B 17 6.427 6.591 2.110 1.00 0.00 C ATOM 1844 CG PHE B 17 6.606 7.718 1.128 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.825 7.934 0.506 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.546 8.557 0.823 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.983 8.966 -0.400 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.698 9.590 -0.081 1.00 0.00 C ATOM 1849 CZ PHE B 17 6.918 9.795 -0.694 1.00 0.00 C ATOM 0 H PHE B 17 5.882 5.734 4.356 1.00 0.00 H new ATOM 0 HA PHE B 17 8.363 6.068 2.912 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.479 5.646 1.570 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.427 6.658 2.540 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.661 7.289 0.732 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.589 8.401 1.298 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.939 9.124 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE B 17 4.863 10.237 -0.308 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.039 10.602 -1.402 1.00 0.00 H new ATOM 1859 N GLN B 18 6.827 8.733 4.156 1.00 0.00 N ATOM 1860 CA GLN B 18 7.033 10.119 4.589 1.00 0.00 C ATOM 1861 C GLN B 18 8.218 10.260 5.534 1.00 0.00 C ATOM 1862 O GLN B 18 9.023 11.179 5.395 1.00 0.00 O ATOM 1863 CB GLN B 18 5.785 10.658 5.294 1.00 0.00 C ATOM 1864 CG GLN B 18 4.489 10.297 4.600 1.00 0.00 C ATOM 1865 CD GLN B 18 4.048 11.349 3.612 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.211 12.200 3.914 1.00 0.00 O ATOM 1867 NE2 GLN B 18 4.619 11.291 2.416 1.00 0.00 N ATOM 0 H GLN B 18 5.867 8.402 4.256 1.00 0.00 H new ATOM 0 HA GLN B 18 7.236 10.694 3.686 1.00 0.00 H new ATOM 0 HB2 GLN B 18 5.760 10.273 6.314 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.859 11.743 5.365 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.611 9.346 4.082 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.708 10.155 5.347 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.308 10.566 2.214 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.369 11.971 1.698 1.00 0.00 H new ATOM 1876 N LYS B 19 8.307 9.369 6.512 1.00 0.00 N ATOM 1877 CA LYS B 19 9.385 9.429 7.494 1.00 0.00 C ATOM 1878 C LYS B 19 10.746 9.611 6.825 1.00 0.00 C ATOM 1879 O LYS B 19 11.496 10.525 7.171 1.00 0.00 O ATOM 1880 CB LYS B 19 9.386 8.156 8.342 1.00 0.00 C ATOM 1881 CG LYS B 19 10.474 8.126 9.402 1.00 0.00 C ATOM 1882 CD LYS B 19 10.144 9.042 10.571 1.00 0.00 C ATOM 1883 CE LYS B 19 11.358 9.840 11.016 1.00 0.00 C ATOM 1884 NZ LYS B 19 11.383 10.038 12.492 1.00 0.00 N ATOM 0 H LYS B 19 7.651 8.600 6.648 1.00 0.00 H new ATOM 0 HA LYS B 19 9.209 10.295 8.133 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.416 8.053 8.828 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.507 7.294 7.686 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.602 7.106 9.764 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.423 8.429 8.959 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.344 9.725 10.284 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.772 8.448 11.406 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.266 9.324 10.704 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.356 10.810 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.227 10.587 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.529 10.553 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.411 9.113 12.966 1.00 0.00 H new ATOM 1898 N TYR B 20 11.053 8.761 5.853 1.00 0.00 N ATOM 1899 CA TYR B 20 12.311 8.862 5.128 1.00 0.00 C ATOM 1900 C TYR B 20 12.213 9.927 4.048 1.00 0.00 C ATOM 1901 O TYR B 20 13.192 10.587 3.702 1.00 0.00 O ATOM 1902 CB TYR B 20 12.708 7.508 4.542 1.00 0.00 C ATOM 1903 CG TYR B 20 13.693 6.760 5.416 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.306 6.254 6.651 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.009 6.575 5.014 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.203 5.581 7.459 1.00 0.00 C ATOM 1907 CE2 TYR B 20 15.913 5.905 5.818 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.505 5.409 7.037 1.00 0.00 C ATOM 1909 OH TYR B 20 16.401 4.741 7.839 1.00 0.00 O ATOM 0 H TYR B 20 10.449 7.997 5.550 1.00 0.00 H new ATOM 0 HA TYR B 20 13.094 9.160 5.825 1.00 0.00 H new ATOM 0 HB2 TYR B 20 11.814 6.899 4.406 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.145 7.658 3.555 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.288 6.389 6.985 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.332 6.960 4.058 1.00 0.00 H new ATOM 0 HE1 TYR B 20 13.886 5.192 8.415 1.00 0.00 H new ATOM 0 HE2 TYR B 20 16.934 5.771 5.492 1.00 0.00 H new ATOM 0 HH TYR B 20 16.038 4.670 8.746 1.00 0.00 H new ATOM 1919 N ALA B 21 11.006 10.064 3.516 1.00 0.00 N ATOM 1920 CA ALA B 21 10.710 11.014 2.458 1.00 0.00 C ATOM 1921 C ALA B 21 10.354 12.395 3.013 1.00 0.00 C ATOM 1922 O ALA B 21 9.734 13.205 2.324 1.00 0.00 O ATOM 1923 CB ALA B 21 9.570 10.461 1.624 1.00 0.00 C ATOM 0 H ALA B 21 10.200 9.513 3.811 1.00 0.00 H new ATOM 0 HA ALA B 21 11.599 11.146 1.841 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.332 11.161 0.823 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.865 9.504 1.194 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.692 10.320 2.255 1.00 0.00 H new ATOM 1929 N GLY B 22 10.750 12.660 4.255 1.00 0.00 N ATOM 1930 CA GLY B 22 10.461 13.942 4.867 1.00 0.00 C ATOM 1931 C GLY B 22 11.403 14.259 6.012 1.00 0.00 C ATOM 1932 O GLY B 22 11.304 13.669 7.088 1.00 0.00 O ATOM 0 H GLY B 22 11.266 12.009 4.847 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.532 14.726 4.113 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.434 13.944 5.233 1.00 0.00 H new ATOM 2006 N VAL B 28 8.258 15.175 -0.906 1.00 0.00 N ATOM 2007 CA VAL B 28 7.344 14.596 -1.882 1.00 0.00 C ATOM 2008 C VAL B 28 7.871 13.273 -2.432 1.00 0.00 C ATOM 2009 O VAL B 28 7.099 12.437 -2.902 1.00 0.00 O ATOM 2010 CB VAL B 28 7.094 15.562 -3.055 1.00 0.00 C ATOM 2011 CG1 VAL B 28 6.177 16.697 -2.626 1.00 0.00 C ATOM 2012 CG2 VAL B 28 8.410 16.103 -3.593 1.00 0.00 C ATOM 0 HA VAL B 28 6.406 14.413 -1.358 1.00 0.00 H new ATOM 0 HB VAL B 28 6.601 15.011 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL B 28 6.012 17.369 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.222 16.288 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL B 28 6.639 17.248 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.212 16.784 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL B 28 8.934 16.638 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL B 28 9.028 15.276 -3.943 1.00 0.00 H new ATOM 2022 N THR B 29 9.188 13.085 -2.376 1.00 0.00 N ATOM 2023 CA THR B 29 9.801 11.860 -2.873 1.00 0.00 C ATOM 2024 C THR B 29 10.936 11.400 -1.969 1.00 0.00 C ATOM 2025 O THR B 29 11.576 12.201 -1.289 1.00 0.00 O ATOM 2026 CB THR B 29 10.327 12.059 -4.291 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.937 13.331 -4.431 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.253 11.942 -5.347 1.00 0.00 C ATOM 0 H THR B 29 9.847 13.763 -1.993 1.00 0.00 H new ATOM 0 HA THR B 29 9.030 11.090 -2.879 1.00 0.00 H new ATOM 0 HB THR B 29 11.052 11.260 -4.444 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.268 13.436 -5.347 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.694 12.094 -6.332 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.803 10.950 -5.300 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.487 12.697 -5.172 1.00 0.00 H new ATOM 2036 N LEU B 30 11.181 10.097 -1.982 1.00 0.00 N ATOM 2037 CA LEU B 30 12.245 9.501 -1.181 1.00 0.00 C ATOM 2038 C LEU B 30 13.417 9.108 -2.080 1.00 0.00 C ATOM 2039 O LEU B 30 13.592 9.677 -3.153 1.00 0.00 O ATOM 2040 CB LEU B 30 11.713 8.270 -0.429 1.00 0.00 C ATOM 2041 CG LEU B 30 12.300 8.009 0.971 1.00 0.00 C ATOM 2042 CD1 LEU B 30 12.845 6.592 1.064 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.388 9.016 1.322 1.00 0.00 C ATOM 0 H LEU B 30 10.654 9.427 -2.542 1.00 0.00 H new ATOM 0 HA LEU B 30 12.592 10.232 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.632 8.371 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.896 7.389 -1.045 1.00 0.00 H new ATOM 0 HG LEU B 30 11.492 8.127 1.693 1.00 0.00 H new ATOM 0 HD11 LEU B 30 13.256 6.425 2.060 1.00 0.00 H new ATOM 0 HD12 LEU B 30 12.041 5.880 0.879 1.00 0.00 H new ATOM 0 HD13 LEU B 30 13.630 6.454 0.320 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.777 8.799 2.317 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.196 8.948 0.593 1.00 0.00 H new ATOM 0 HD23 LEU B 30 12.970 10.023 1.307 1.00 0.00 H new ATOM 2055 N SER B 31 14.203 8.124 -1.658 1.00 0.00 N ATOM 2056 CA SER B 31 15.334 7.662 -2.451 1.00 0.00 C ATOM 2057 C SER B 31 15.524 6.161 -2.283 1.00 0.00 C ATOM 2058 O SER B 31 15.412 5.632 -1.176 1.00 0.00 O ATOM 2059 CB SER B 31 16.608 8.403 -2.050 1.00 0.00 C ATOM 2060 OG SER B 31 17.756 7.779 -2.599 1.00 0.00 O ATOM 0 H SER B 31 14.078 7.632 -0.773 1.00 0.00 H new ATOM 0 HA SER B 31 15.125 7.872 -3.500 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.554 9.437 -2.392 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.690 8.430 -0.963 1.00 0.00 H new ATOM 0 HG SER B 31 18.558 8.274 -2.329 1.00 0.00 H new ATOM 2066 N LYS B 32 15.804 5.476 -3.386 1.00 0.00 N ATOM 2067 CA LYS B 32 16.002 4.030 -3.357 1.00 0.00 C ATOM 2068 C LYS B 32 16.990 3.640 -2.258 1.00 0.00 C ATOM 2069 O LYS B 32 16.838 2.604 -1.611 1.00 0.00 O ATOM 2070 CB LYS B 32 16.495 3.528 -4.719 1.00 0.00 C ATOM 2071 CG LYS B 32 17.877 4.036 -5.106 1.00 0.00 C ATOM 2072 CD LYS B 32 17.799 5.340 -5.889 1.00 0.00 C ATOM 2073 CE LYS B 32 18.619 6.439 -5.232 1.00 0.00 C ATOM 2074 NZ LYS B 32 19.914 6.660 -5.933 1.00 0.00 N ATOM 0 H LYS B 32 15.899 5.897 -4.310 1.00 0.00 H new ATOM 0 HA LYS B 32 15.043 3.560 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.510 2.438 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.781 3.830 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS B 32 18.474 4.187 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.387 3.282 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS B 32 18.157 5.176 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.759 5.658 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS B 32 18.046 7.366 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS B 32 18.810 6.177 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 20.443 7.417 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 20.472 5.783 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 19.732 6.935 -6.919 1.00 0.00 H new ATOM 2088 N THR B 33 17.996 4.485 -2.047 1.00 0.00 N ATOM 2089 CA THR B 33 19.001 4.246 -1.026 1.00 0.00 C ATOM 2090 C THR B 33 18.426 4.511 0.363 1.00 0.00 C ATOM 2091 O THR B 33 18.656 3.748 1.296 1.00 0.00 O ATOM 2092 CB THR B 33 20.228 5.127 -1.287 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.162 4.452 -2.109 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.955 5.556 -0.030 1.00 0.00 C ATOM 0 H THR B 33 18.133 5.346 -2.576 1.00 0.00 H new ATOM 0 HA THR B 33 19.308 3.201 -1.068 1.00 0.00 H new ATOM 0 HB THR B 33 19.834 6.019 -1.774 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.937 5.030 -2.266 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.811 6.176 -0.298 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.278 6.127 0.605 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.301 4.674 0.509 1.00 0.00 H new ATOM 2102 N GLU B 34 17.671 5.596 0.501 1.00 0.00 N ATOM 2103 CA GLU B 34 17.071 5.930 1.788 1.00 0.00 C ATOM 2104 C GLU B 34 16.228 4.764 2.290 1.00 0.00 C ATOM 2105 O GLU B 34 16.085 4.557 3.494 1.00 0.00 O ATOM 2106 CB GLU B 34 16.218 7.195 1.679 1.00 0.00 C ATOM 2107 CG GLU B 34 16.797 8.375 2.439 1.00 0.00 C ATOM 2108 CD GLU B 34 16.914 9.622 1.584 1.00 0.00 C ATOM 2109 OE1 GLU B 34 17.862 9.700 0.774 1.00 0.00 O ATOM 2110 OE2 GLU B 34 16.058 10.520 1.724 1.00 0.00 O ATOM 0 H GLU B 34 17.462 6.252 -0.252 1.00 0.00 H new ATOM 0 HA GLU B 34 17.872 6.121 2.502 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.112 7.465 0.628 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.217 6.984 2.056 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.168 8.590 3.303 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.782 8.108 2.821 1.00 0.00 H new ATOM 2117 N PHE B 35 15.692 3.991 1.353 1.00 0.00 N ATOM 2118 CA PHE B 35 14.884 2.830 1.694 1.00 0.00 C ATOM 2119 C PHE B 35 15.771 1.720 2.242 1.00 0.00 C ATOM 2120 O PHE B 35 15.359 0.950 3.109 1.00 0.00 O ATOM 2121 CB PHE B 35 14.118 2.335 0.470 1.00 0.00 C ATOM 2122 CG PHE B 35 12.778 1.763 0.816 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.677 0.684 1.676 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.622 2.309 0.290 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.446 0.158 2.005 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.386 1.787 0.615 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.297 0.710 1.473 1.00 0.00 C ATOM 0 H PHE B 35 15.803 4.149 0.351 1.00 0.00 H new ATOM 0 HA PHE B 35 14.164 3.119 2.460 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.986 3.161 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.711 1.577 -0.042 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.573 0.249 2.094 1.00 0.00 H new ATOM 0 HD2 PHE B 35 11.686 3.152 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE B 35 11.380 -0.684 2.678 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.489 2.221 0.198 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.331 0.300 1.728 1.00 0.00 H new ATOM 2137 N LEU B 36 16.999 1.654 1.735 1.00 0.00 N ATOM 2138 CA LEU B 36 17.960 0.648 2.175 1.00 0.00 C ATOM 2139 C LEU B 36 18.052 0.615 3.681 1.00 0.00 C ATOM 2140 O LEU B 36 17.820 -0.412 4.319 1.00 0.00 O ATOM 2141 CB LEU B 36 19.345 0.978 1.631 1.00 0.00 C ATOM 2142 CG LEU B 36 19.732 0.224 0.383 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.786 -1.265 0.679 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.754 0.534 -0.736 1.00 0.00 C ATOM 0 H LEU B 36 17.352 2.287 1.017 1.00 0.00 H new ATOM 0 HA LEU B 36 17.620 -0.319 1.804 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.392 2.047 1.422 1.00 0.00 H new ATOM 0 HB3 LEU B 36 20.083 0.772 2.406 1.00 0.00 H new ATOM 0 HG LEU B 36 20.723 0.540 0.057 1.00 0.00 H new ATOM 0 HD11 LEU B 36 20.066 -1.806 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.524 -1.455 1.458 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.807 -1.605 1.016 1.00 0.00 H new ATOM 0 HD21 LEU B 36 19.041 -0.015 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.750 0.236 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.768 1.604 -0.945 1.00 0.00 H new ATOM 2156 N SER B 37 18.415 1.755 4.232 1.00 0.00 N ATOM 2157 CA SER B 37 18.571 1.882 5.664 1.00 0.00 C ATOM 2158 C SER B 37 17.236 1.670 6.371 1.00 0.00 C ATOM 2159 O SER B 37 17.160 0.968 7.380 1.00 0.00 O ATOM 2160 CB SER B 37 19.145 3.253 6.022 1.00 0.00 C ATOM 2161 OG SER B 37 20.126 3.147 7.040 1.00 0.00 O ATOM 0 H SER B 37 18.608 2.608 3.707 1.00 0.00 H new ATOM 0 HA SER B 37 19.268 1.114 6.000 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.585 3.709 5.135 1.00 0.00 H new ATOM 0 HB3 SER B 37 18.342 3.911 6.354 1.00 0.00 H new ATOM 0 HG SER B 37 20.478 4.037 7.249 1.00 0.00 H new ATOM 2167 N PHE B 38 16.184 2.278 5.828 1.00 0.00 N ATOM 2168 CA PHE B 38 14.847 2.158 6.401 1.00 0.00 C ATOM 2169 C PHE B 38 14.415 0.697 6.469 1.00 0.00 C ATOM 2170 O PHE B 38 13.637 0.307 7.341 1.00 0.00 O ATOM 2171 CB PHE B 38 13.836 2.953 5.572 1.00 0.00 C ATOM 2172 CG PHE B 38 12.434 2.875 6.107 1.00 0.00 C ATOM 2173 CD1 PHE B 38 12.166 3.192 7.428 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.388 2.479 5.290 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.878 3.119 7.925 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.099 2.403 5.782 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.844 2.724 7.100 1.00 0.00 C ATOM 0 H PHE B 38 16.232 2.859 4.991 1.00 0.00 H new ATOM 0 HA PHE B 38 14.879 2.563 7.412 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.146 3.997 5.538 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.847 2.583 4.547 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.972 3.500 8.077 1.00 0.00 H new ATOM 0 HD2 PHE B 38 11.582 2.227 4.258 1.00 0.00 H new ATOM 0 HE1 PHE B 38 10.681 3.371 8.957 1.00 0.00 H new ATOM 0 HE2 PHE B 38 9.291 2.093 5.136 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.837 2.666 7.485 1.00 0.00 H new ATOM 2187 N MET B 39 14.917 -0.105 5.540 1.00 0.00 N ATOM 2188 CA MET B 39 14.578 -1.521 5.492 1.00 0.00 C ATOM 2189 C MET B 39 15.358 -2.304 6.542 1.00 0.00 C ATOM 2190 O MET B 39 14.797 -3.128 7.260 1.00 0.00 O ATOM 2191 CB MET B 39 14.864 -2.086 4.099 1.00 0.00 C ATOM 2192 CG MET B 39 14.583 -3.576 3.975 1.00 0.00 C ATOM 2193 SD MET B 39 13.540 -3.975 2.561 1.00 0.00 S ATOM 2194 CE MET B 39 12.055 -3.061 2.970 1.00 0.00 C ATOM 0 H MET B 39 15.560 0.200 4.810 1.00 0.00 H new ATOM 0 HA MET B 39 13.514 -1.623 5.707 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.260 -1.549 3.368 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.908 -1.900 3.848 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.527 -4.113 3.887 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.100 -3.927 4.887 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.699 -2.531 2.087 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.285 -3.752 3.313 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.276 -2.343 3.760 1.00 0.00 H new ATOM 2204 N ASN B 40 16.657 -2.046 6.616 1.00 0.00 N ATOM 2205 CA ASN B 40 17.524 -2.732 7.567 1.00 0.00 C ATOM 2206 C ASN B 40 17.238 -2.315 9.010 1.00 0.00 C ATOM 2207 O ASN B 40 17.615 -3.017 9.948 1.00 0.00 O ATOM 2208 CB ASN B 40 18.991 -2.455 7.229 1.00 0.00 C ATOM 2209 CG ASN B 40 19.433 -3.149 5.954 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.581 -4.371 5.919 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.647 -2.371 4.898 1.00 0.00 N ATOM 0 H ASN B 40 17.136 -1.364 6.027 1.00 0.00 H new ATOM 0 HA ASN B 40 17.320 -3.800 7.485 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.140 -1.380 7.125 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.620 -2.785 8.056 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.946 -2.782 4.014 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.512 -1.363 4.972 1.00 0.00 H new ATOM 2218 N THR B 41 16.591 -1.166 9.191 1.00 0.00 N ATOM 2219 CA THR B 41 16.290 -0.669 10.532 1.00 0.00 C ATOM 2220 C THR B 41 14.898 -1.068 11.005 1.00 0.00 C ATOM 2221 O THR B 41 14.684 -1.293 12.196 1.00 0.00 O ATOM 2222 CB THR B 41 16.407 0.856 10.575 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.055 1.348 11.856 1.00 0.00 O ATOM 2224 CG2 THR B 41 15.531 1.557 9.561 1.00 0.00 C ATOM 0 H THR B 41 16.267 -0.565 8.433 1.00 0.00 H new ATOM 0 HA THR B 41 17.020 -1.125 11.201 1.00 0.00 H new ATOM 0 HB THR B 41 17.449 1.070 10.338 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.137 2.325 11.865 1.00 0.00 H new ATOM 0 HG21 THR B 41 15.665 2.635 9.648 1.00 0.00 H new ATOM 0 HG22 THR B 41 15.809 1.237 8.557 1.00 0.00 H new ATOM 0 HG23 THR B 41 14.487 1.305 9.746 1.00 0.00 H new ATOM 2232 N GLU B 42 13.942 -1.112 10.086 1.00 0.00 N ATOM 2233 CA GLU B 42 12.569 -1.437 10.452 1.00 0.00 C ATOM 2234 C GLU B 42 11.988 -2.552 9.581 1.00 0.00 C ATOM 2235 O GLU B 42 10.771 -2.710 9.497 1.00 0.00 O ATOM 2236 CB GLU B 42 11.699 -0.180 10.350 1.00 0.00 C ATOM 2237 CG GLU B 42 12.452 1.122 10.625 1.00 0.00 C ATOM 2238 CD GLU B 42 11.887 1.883 11.810 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.721 2.321 11.732 1.00 0.00 O ATOM 2240 OE2 GLU B 42 12.612 2.038 12.816 1.00 0.00 O ATOM 0 H GLU B 42 14.088 -0.929 9.093 1.00 0.00 H new ATOM 0 HA GLU B 42 12.576 -1.801 11.479 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.264 -0.132 9.352 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.872 -0.265 11.055 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.503 0.898 10.809 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.412 1.755 9.739 1.00 0.00 H new ATOM 2247 N LEU B 43 12.861 -3.329 8.950 1.00 0.00 N ATOM 2248 CA LEU B 43 12.431 -4.434 8.100 1.00 0.00 C ATOM 2249 C LEU B 43 13.581 -5.408 7.872 1.00 0.00 C ATOM 2250 O LEU B 43 13.815 -5.863 6.752 1.00 0.00 O ATOM 2251 CB LEU B 43 11.909 -3.909 6.759 1.00 0.00 C ATOM 2252 CG LEU B 43 10.450 -3.441 6.765 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.998 -3.085 5.359 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.546 -4.510 7.361 1.00 0.00 C ATOM 0 H LEU B 43 13.873 -3.214 9.011 1.00 0.00 H new ATOM 0 HA LEU B 43 11.622 -4.961 8.605 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.539 -3.078 6.442 1.00 0.00 H new ATOM 0 HB3 LEU B 43 12.019 -4.695 6.012 1.00 0.00 H new ATOM 0 HG LEU B 43 10.380 -2.548 7.386 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.959 -2.755 5.383 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.624 -2.284 4.967 1.00 0.00 H new ATOM 0 HD13 LEU B 43 10.085 -3.961 4.716 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.514 -4.158 7.356 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.621 -5.422 6.769 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.854 -4.717 8.386 1.00 0.00 H new ATOM 2266 N ALA B 44 14.297 -5.719 8.948 1.00 0.00 N ATOM 2267 CA ALA B 44 15.427 -6.636 8.878 1.00 0.00 C ATOM 2268 C ALA B 44 14.948 -8.077 8.756 1.00 0.00 C ATOM 2269 O ALA B 44 15.664 -8.942 8.253 1.00 0.00 O ATOM 2270 CB ALA B 44 16.314 -6.468 10.102 1.00 0.00 C ATOM 0 H ALA B 44 14.113 -5.348 9.880 1.00 0.00 H new ATOM 0 HA ALA B 44 16.010 -6.399 7.988 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.155 -7.158 10.039 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.687 -5.445 10.144 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.737 -6.681 11.002 1.00 0.00 H new ATOM 2276 N ALA B 45 13.728 -8.325 9.218 1.00 0.00 N ATOM 2277 CA ALA B 45 13.142 -9.656 9.158 1.00 0.00 C ATOM 2278 C ALA B 45 12.864 -10.074 7.715 1.00 0.00 C ATOM 2279 O ALA B 45 12.612 -11.246 7.437 1.00 0.00 O ATOM 2280 CB ALA B 45 11.863 -9.692 9.981 1.00 0.00 C ATOM 0 H ALA B 45 13.125 -7.618 9.639 1.00 0.00 H new ATOM 0 HA ALA B 45 13.856 -10.366 9.575 1.00 0.00 H new ATOM 0 HB1 ALA B 45 11.428 -10.690 9.933 1.00 0.00 H new ATOM 0 HB2 ALA B 45 12.090 -9.444 11.018 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.153 -8.967 9.582 1.00 0.00 H new ATOM 2286 N PHE B 46 12.911 -9.107 6.799 1.00 0.00 N ATOM 2287 CA PHE B 46 12.662 -9.377 5.387 1.00 0.00 C ATOM 2288 C PHE B 46 13.936 -9.223 4.556 1.00 0.00 C ATOM 2289 O PHE B 46 13.883 -9.206 3.327 1.00 0.00 O ATOM 2290 CB PHE B 46 11.583 -8.430 4.854 1.00 0.00 C ATOM 2291 CG PHE B 46 10.236 -8.628 5.491 1.00 0.00 C ATOM 2292 CD1 PHE B 46 10.061 -8.429 6.852 1.00 0.00 C ATOM 2293 CD2 PHE B 46 9.147 -9.014 4.729 1.00 0.00 C ATOM 2294 CE1 PHE B 46 8.824 -8.610 7.439 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.906 -9.197 5.311 1.00 0.00 C ATOM 2296 CZ PHE B 46 7.745 -8.995 6.668 1.00 0.00 C ATOM 0 H PHE B 46 13.119 -8.131 7.011 1.00 0.00 H new ATOM 0 HA PHE B 46 12.320 -10.408 5.300 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.904 -7.401 5.016 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.490 -8.569 3.777 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.902 -8.129 7.460 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.268 -9.174 3.668 1.00 0.00 H new ATOM 0 HE1 PHE B 46 8.701 -8.451 8.500 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.064 -9.497 4.705 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.777 -9.138 7.125 1.00 0.00 H new ATOM 2306 N THR B 47 15.080 -9.106 5.229 1.00 0.00 N ATOM 2307 CA THR B 47 16.356 -8.946 4.536 1.00 0.00 C ATOM 2308 C THR B 47 17.478 -9.720 5.229 1.00 0.00 C ATOM 2309 O THR B 47 18.380 -10.238 4.571 1.00 0.00 O ATOM 2310 CB THR B 47 16.727 -7.464 4.450 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.075 -6.960 5.728 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.614 -6.599 3.902 1.00 0.00 C ATOM 0 H THR B 47 15.149 -9.119 6.247 1.00 0.00 H new ATOM 0 HA THR B 47 16.238 -9.353 3.532 1.00 0.00 H new ATOM 0 HB THR B 47 17.572 -7.417 3.763 1.00 0.00 H new ATOM 0 HG1 THR B 47 17.311 -6.012 5.653 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.943 -5.561 3.868 1.00 0.00 H new ATOM 0 HG22 THR B 47 15.356 -6.931 2.896 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.739 -6.681 4.546 1.00 0.00 H new ATOM 2428 N VAL B 55 11.685 -10.753 -3.388 1.00 0.00 N ATOM 2429 CA VAL B 55 10.889 -9.810 -2.607 1.00 0.00 C ATOM 2430 C VAL B 55 11.528 -8.426 -2.613 1.00 0.00 C ATOM 2431 O VAL B 55 10.874 -7.424 -2.901 1.00 0.00 O ATOM 2432 CB VAL B 55 10.682 -10.302 -1.142 1.00 0.00 C ATOM 2433 CG1 VAL B 55 11.086 -11.753 -0.995 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.436 -9.452 -0.124 1.00 0.00 C ATOM 0 HA VAL B 55 9.909 -9.747 -3.080 1.00 0.00 H new ATOM 0 HB VAL B 55 9.617 -10.199 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.932 -12.071 0.036 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.479 -12.369 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL B 55 12.138 -11.866 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.256 -9.840 0.879 1.00 0.00 H new ATOM 0 HG22 VAL B 55 12.504 -9.487 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL B 55 11.088 -8.421 -0.182 1.00 0.00 H new ATOM 2444 N LEU B 56 12.811 -8.386 -2.284 1.00 0.00 N ATOM 2445 CA LEU B 56 13.559 -7.147 -2.231 1.00 0.00 C ATOM 2446 C LEU B 56 13.883 -6.646 -3.633 1.00 0.00 C ATOM 2447 O LEU B 56 13.617 -5.496 -3.974 1.00 0.00 O ATOM 2448 CB LEU B 56 14.847 -7.392 -1.444 1.00 0.00 C ATOM 2449 CG LEU B 56 16.047 -6.548 -1.867 1.00 0.00 C ATOM 2450 CD1 LEU B 56 16.906 -6.205 -0.663 1.00 0.00 C ATOM 2451 CD2 LEU B 56 16.866 -7.275 -2.927 1.00 0.00 C ATOM 0 H LEU B 56 13.359 -9.213 -2.047 1.00 0.00 H new ATOM 0 HA LEU B 56 12.959 -6.382 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.648 -7.206 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.114 -8.445 -1.537 1.00 0.00 H new ATOM 0 HG LEU B 56 15.680 -5.618 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU B 56 17.757 -5.603 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU B 56 16.314 -5.642 0.058 1.00 0.00 H new ATOM 0 HD13 LEU B 56 17.265 -7.123 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU B 56 17.717 -6.658 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.225 -8.222 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU B 56 16.243 -7.466 -3.801 1.00 0.00 H new ATOM 2463 N ASP B 57 14.461 -7.524 -4.436 1.00 0.00 N ATOM 2464 CA ASP B 57 14.833 -7.189 -5.803 1.00 0.00 C ATOM 2465 C ASP B 57 13.629 -6.693 -6.599 1.00 0.00 C ATOM 2466 O ASP B 57 13.774 -5.896 -7.524 1.00 0.00 O ATOM 2467 CB ASP B 57 15.448 -8.410 -6.485 1.00 0.00 C ATOM 2468 CG ASP B 57 16.537 -8.035 -7.472 1.00 0.00 C ATOM 2469 OD1 ASP B 57 17.102 -6.929 -7.340 1.00 0.00 O ATOM 2470 OD2 ASP B 57 16.825 -8.848 -8.376 1.00 0.00 O ATOM 0 H ASP B 57 14.685 -8.481 -4.163 1.00 0.00 H new ATOM 0 HA ASP B 57 15.567 -6.384 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP B 57 15.862 -9.076 -5.728 1.00 0.00 H new ATOM 0 HB3 ASP B 57 14.666 -8.965 -7.004 1.00 0.00 H new ATOM 2475 N ARG B 58 12.443 -7.172 -6.237 1.00 0.00 N ATOM 2476 CA ARG B 58 11.215 -6.776 -6.923 1.00 0.00 C ATOM 2477 C ARG B 58 11.003 -5.267 -6.850 1.00 0.00 C ATOM 2478 O ARG B 58 10.785 -4.613 -7.869 1.00 0.00 O ATOM 2479 CB ARG B 58 10.010 -7.499 -6.315 1.00 0.00 C ATOM 2480 CG ARG B 58 9.337 -8.471 -7.272 1.00 0.00 C ATOM 2481 CD ARG B 58 7.963 -7.976 -7.697 1.00 0.00 C ATOM 2482 NE ARG B 58 8.002 -7.283 -8.983 1.00 0.00 N ATOM 2483 CZ ARG B 58 8.031 -7.905 -10.159 1.00 0.00 C ATOM 2484 NH1 ARG B 58 8.026 -9.231 -10.218 1.00 0.00 N ATOM 2485 NH2 ARG B 58 8.063 -7.198 -11.281 1.00 0.00 N ATOM 0 H ARG B 58 12.305 -7.834 -5.474 1.00 0.00 H new ATOM 0 HA ARG B 58 11.313 -7.058 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.333 -8.042 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.279 -6.759 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG B 58 9.964 -8.608 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG B 58 9.242 -9.446 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG B 58 7.278 -8.821 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG B 58 7.569 -7.304 -6.935 1.00 0.00 H new ATOM 0 HE ARG B 58 8.007 -6.263 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG B 58 8.000 -9.780 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG B 58 8.048 -9.701 -11.123 1.00 0.00 H new ATOM 0 HH21 ARG B 58 8.065 -6.179 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG B 58 8.085 -7.674 -12.183 1.00 0.00 H new ATOM 2498 N MET B 59 11.058 -4.721 -5.638 1.00 0.00 N ATOM 2499 CA MET B 59 10.863 -3.290 -5.434 1.00 0.00 C ATOM 2500 C MET B 59 11.823 -2.475 -6.290 1.00 0.00 C ATOM 2501 O MET B 59 11.410 -1.581 -7.028 1.00 0.00 O ATOM 2502 CB MET B 59 11.026 -2.934 -3.950 1.00 0.00 C ATOM 2503 CG MET B 59 12.450 -2.599 -3.513 1.00 0.00 C ATOM 2504 SD MET B 59 12.555 -2.061 -1.794 1.00 0.00 S ATOM 2505 CE MET B 59 11.333 -3.120 -1.031 1.00 0.00 C ATOM 0 H MET B 59 11.236 -5.248 -4.783 1.00 0.00 H new ATOM 0 HA MET B 59 9.848 -3.041 -5.743 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.384 -2.082 -3.725 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.667 -3.771 -3.351 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.082 -3.476 -3.652 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.846 -1.815 -4.158 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.635 -2.513 -0.454 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.789 -3.663 -1.804 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.829 -3.830 -0.370 1.00 0.00 H new ATOM 2515 N MET B 60 13.105 -2.786 -6.176 1.00 0.00 N ATOM 2516 CA MET B 60 14.129 -2.077 -6.930 1.00 0.00 C ATOM 2517 C MET B 60 13.943 -2.265 -8.432 1.00 0.00 C ATOM 2518 O MET B 60 14.320 -1.402 -9.225 1.00 0.00 O ATOM 2519 CB MET B 60 15.515 -2.544 -6.493 1.00 0.00 C ATOM 2520 CG MET B 60 15.873 -2.092 -5.087 1.00 0.00 C ATOM 2521 SD MET B 60 17.044 -0.721 -5.076 1.00 0.00 S ATOM 2522 CE MET B 60 16.248 0.407 -6.216 1.00 0.00 C ATOM 0 H MET B 60 13.462 -3.524 -5.569 1.00 0.00 H new ATOM 0 HA MET B 60 14.033 -1.012 -6.720 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.559 -3.632 -6.542 1.00 0.00 H new ATOM 0 HB3 MET B 60 16.259 -2.163 -7.193 1.00 0.00 H new ATOM 0 HG2 MET B 60 14.965 -1.793 -4.563 1.00 0.00 H new ATOM 0 HG3 MET B 60 16.297 -2.932 -4.536 1.00 0.00 H new ATOM 0 HE1 MET B 60 16.878 1.285 -6.358 1.00 0.00 H new ATOM 0 HE2 MET B 60 16.097 -0.090 -7.174 1.00 0.00 H new ATOM 0 HE3 MET B 60 15.284 0.714 -5.811 1.00 0.00 H new ATOM 2670 N GLN B 70 13.684 10.441 -8.618 1.00 0.00 N ATOM 2671 CA GLN B 70 13.350 10.324 -7.202 1.00 0.00 C ATOM 2672 C GLN B 70 12.290 9.253 -6.969 1.00 0.00 C ATOM 2673 O GLN B 70 11.640 8.790 -7.907 1.00 0.00 O ATOM 2674 CB GLN B 70 12.857 11.671 -6.662 1.00 0.00 C ATOM 2675 CG GLN B 70 13.921 12.451 -5.907 1.00 0.00 C ATOM 2676 CD GLN B 70 14.325 11.771 -4.616 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.237 10.810 -4.712 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 13.825 12.107 -3.543 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.254 10.030 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.497 12.276 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.007 11.499 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.799 12.571 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.547 13.451 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN B 70 13.127 12.851 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN B 70 14.108 11.642 -2.681 1.00 0.00 H new ATOM 2687 N LEU B 71 12.112 8.874 -5.706 1.00 0.00 N ATOM 2688 CA LEU B 71 11.125 7.876 -5.338 1.00 0.00 C ATOM 2689 C LEU B 71 9.723 8.437 -5.611 1.00 0.00 C ATOM 2690 O LEU B 71 9.523 9.100 -6.627 1.00 0.00 O ATOM 2691 CB LEU B 71 11.325 7.485 -3.864 1.00 0.00 C ATOM 2692 CG LEU B 71 12.119 6.192 -3.603 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.171 5.038 -3.319 1.00 0.00 C ATOM 2694 CD2 LEU B 71 13.046 5.862 -4.767 1.00 0.00 C ATOM 0 H LEU B 71 12.644 9.248 -4.920 1.00 0.00 H new ATOM 0 HA LEU B 71 11.242 6.971 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.833 8.306 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.344 7.383 -3.401 1.00 0.00 H new ATOM 0 HG LEU B 71 12.744 6.352 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.747 4.131 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.570 5.269 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.516 4.886 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.591 4.943 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.457 5.728 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.754 6.678 -4.911 1.00 0.00 H new ATOM 2706 N ASP B 72 8.759 8.200 -4.717 1.00 0.00 N ATOM 2707 CA ASP B 72 7.401 8.727 -4.917 1.00 0.00 C ATOM 2708 C ASP B 72 6.420 8.183 -3.873 1.00 0.00 C ATOM 2709 O ASP B 72 6.824 7.780 -2.784 1.00 0.00 O ATOM 2710 CB ASP B 72 6.900 8.429 -6.342 1.00 0.00 C ATOM 2711 CG ASP B 72 7.077 6.980 -6.743 1.00 0.00 C ATOM 2712 OD1 ASP B 72 8.209 6.597 -7.100 1.00 0.00 O ATOM 2713 OD2 ASP B 72 6.077 6.231 -6.712 1.00 0.00 O ATOM 0 H ASP B 72 8.886 7.658 -3.863 1.00 0.00 H new ATOM 0 HA ASP B 72 7.451 9.808 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP B 72 5.845 8.693 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP B 72 7.435 9.063 -7.049 1.00 0.00 H new ATOM 2718 N PHE B 73 5.126 8.204 -4.197 1.00 0.00 N ATOM 2719 CA PHE B 73 4.093 7.739 -3.275 1.00 0.00 C ATOM 2720 C PHE B 73 3.859 6.218 -3.317 1.00 0.00 C ATOM 2721 O PHE B 73 3.981 5.542 -2.294 1.00 0.00 O ATOM 2722 CB PHE B 73 2.780 8.480 -3.545 1.00 0.00 C ATOM 2723 CG PHE B 73 2.099 8.072 -4.819 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.513 8.578 -6.041 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.044 7.174 -4.795 1.00 0.00 C ATOM 2726 CE1 PHE B 73 1.888 8.199 -7.213 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.416 6.790 -5.964 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.838 7.303 -7.175 1.00 0.00 C ATOM 0 H PHE B 73 4.770 8.539 -5.092 1.00 0.00 H new ATOM 0 HA PHE B 73 4.456 7.962 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.100 8.309 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.980 9.551 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.335 9.278 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.709 6.770 -3.851 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.220 8.603 -8.158 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.405 6.089 -5.931 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.348 7.004 -8.090 1.00 0.00 H new ATOM 2738 N GLN B 74 3.475 5.684 -4.482 1.00 0.00 N ATOM 2739 CA GLN B 74 3.178 4.256 -4.593 1.00 0.00 C ATOM 2740 C GLN B 74 4.425 3.393 -4.648 1.00 0.00 C ATOM 2741 O GLN B 74 4.422 2.288 -4.116 1.00 0.00 O ATOM 2742 CB GLN B 74 2.301 3.954 -5.810 1.00 0.00 C ATOM 2743 CG GLN B 74 1.984 2.466 -5.974 1.00 0.00 C ATOM 2744 CD GLN B 74 1.582 1.794 -4.667 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.158 0.622 -4.385 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 0.763 2.323 -3.916 1.00 0.00 N flip ATOM 0 H GLN B 74 3.364 6.212 -5.348 1.00 0.00 H new ATOM 0 HA GLN B 74 2.634 4.003 -3.683 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.367 4.510 -5.723 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.803 4.313 -6.709 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.178 2.350 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.857 1.958 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.345 3.219 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.502 1.865 -3.043 1.00 0.00 H new ATOM 2755 N GLU B 75 5.493 3.873 -5.279 1.00 0.00 N ATOM 2756 CA GLU B 75 6.711 3.085 -5.358 1.00 0.00 C ATOM 2757 C GLU B 75 7.082 2.562 -3.975 1.00 0.00 C ATOM 2758 O GLU B 75 7.705 1.518 -3.851 1.00 0.00 O ATOM 2759 CB GLU B 75 7.858 3.897 -5.968 1.00 0.00 C ATOM 2760 CG GLU B 75 8.615 4.766 -4.980 1.00 0.00 C ATOM 2761 CD GLU B 75 7.715 5.515 -4.021 1.00 0.00 C ATOM 2762 OE1 GLU B 75 6.542 5.748 -4.369 1.00 0.00 O ATOM 2763 OE2 GLU B 75 8.179 5.854 -2.914 1.00 0.00 O ATOM 0 H GLU B 75 5.538 4.785 -5.733 1.00 0.00 H new ATOM 0 HA GLU B 75 6.532 2.234 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU B 75 8.561 3.210 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU B 75 7.456 4.533 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU B 75 9.300 4.140 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU B 75 9.223 5.484 -5.531 1.00 0.00 H new ATOM 2770 N PHE B 76 6.660 3.281 -2.936 1.00 0.00 N ATOM 2771 CA PHE B 76 6.921 2.863 -1.572 1.00 0.00 C ATOM 2772 C PHE B 76 5.964 1.750 -1.208 1.00 0.00 C ATOM 2773 O PHE B 76 6.378 0.662 -0.809 1.00 0.00 O ATOM 2774 CB PHE B 76 6.765 4.032 -0.604 1.00 0.00 C ATOM 2775 CG PHE B 76 7.788 4.017 0.493 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.653 3.159 1.572 1.00 0.00 C ATOM 2777 CD2 PHE B 76 8.890 4.853 0.440 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.599 3.138 2.579 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.837 4.837 1.444 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.692 3.979 2.515 1.00 0.00 C ATOM 0 H PHE B 76 6.137 4.153 -3.019 1.00 0.00 H new ATOM 0 HA PHE B 76 7.948 2.506 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.844 4.968 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.768 4.004 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.799 2.500 1.627 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.010 5.525 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.483 2.464 3.415 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.691 5.496 1.391 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.432 3.965 3.302 1.00 0.00 H new ATOM 2790 N LEU B 77 4.674 2.017 -1.387 1.00 0.00 N ATOM 2791 CA LEU B 77 3.660 1.016 -1.116 1.00 0.00 C ATOM 2792 C LEU B 77 3.942 -0.214 -1.969 1.00 0.00 C ATOM 2793 O LEU B 77 3.722 -1.342 -1.546 1.00 0.00 O ATOM 2794 CB LEU B 77 2.263 1.576 -1.392 1.00 0.00 C ATOM 2795 CG LEU B 77 1.578 2.185 -0.168 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.379 3.027 -0.579 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.169 1.087 0.799 1.00 0.00 C ATOM 0 H LEU B 77 4.313 2.912 -1.716 1.00 0.00 H new ATOM 0 HA LEU B 77 3.693 0.734 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.336 2.337 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.635 0.777 -1.786 1.00 0.00 H new ATOM 0 HG LEU B 77 2.285 2.844 0.336 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.091 3.449 0.309 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.708 3.834 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.341 2.402 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.682 1.530 1.668 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.478 0.405 0.304 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.054 0.537 1.120 1.00 0.00 H new ATOM 2809 N ASN B 78 4.475 0.027 -3.165 1.00 0.00 N ATOM 2810 CA ASN B 78 4.848 -1.045 -4.076 1.00 0.00 C ATOM 2811 C ASN B 78 6.155 -1.667 -3.599 1.00 0.00 C ATOM 2812 O ASN B 78 6.307 -2.889 -3.579 1.00 0.00 O ATOM 2813 CB ASN B 78 4.994 -0.509 -5.513 1.00 0.00 C ATOM 2814 CG ASN B 78 6.122 -1.167 -6.291 1.00 0.00 C ATOM 2815 OD1 ASN B 78 5.977 -2.282 -6.791 1.00 0.00 O ATOM 2816 ND2 ASN B 78 7.252 -0.476 -6.393 1.00 0.00 N ATOM 0 H ASN B 78 4.658 0.964 -3.525 1.00 0.00 H new ATOM 0 HA ASN B 78 4.066 -1.805 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.056 -0.663 -6.047 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.167 0.566 -5.476 1.00 0.00 H new ATOM 0 HD21 ASN B 78 8.045 -0.867 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN B 78 7.327 0.445 -5.962 1.00 0.00 H new ATOM 2823 N LEU B 79 7.094 -0.805 -3.206 1.00 0.00 N ATOM 2824 CA LEU B 79 8.389 -1.259 -2.718 1.00 0.00 C ATOM 2825 C LEU B 79 8.195 -2.176 -1.514 1.00 0.00 C ATOM 2826 O LEU B 79 8.622 -3.327 -1.527 1.00 0.00 O ATOM 2827 CB LEU B 79 9.278 -0.063 -2.324 1.00 0.00 C ATOM 2828 CG LEU B 79 10.396 0.325 -3.316 1.00 0.00 C ATOM 2829 CD1 LEU B 79 9.885 0.426 -4.742 1.00 0.00 C ATOM 2830 CD2 LEU B 79 11.018 1.650 -2.916 1.00 0.00 C ATOM 0 H LEU B 79 6.979 0.208 -3.217 1.00 0.00 H new ATOM 0 HA LEU B 79 8.885 -1.808 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.636 0.805 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.739 -0.284 -1.361 1.00 0.00 H new ATOM 0 HG LEU B 79 11.144 -0.467 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.706 0.701 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.476 -0.536 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.105 1.186 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.805 1.911 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.253 2.427 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.443 1.565 -1.916 1.00 0.00 H new ATOM 2842 N ILE B 80 7.531 -1.657 -0.483 1.00 0.00 N ATOM 2843 CA ILE B 80 7.265 -2.428 0.724 1.00 0.00 C ATOM 2844 C ILE B 80 6.107 -3.397 0.512 1.00 0.00 C ATOM 2845 O ILE B 80 6.186 -4.562 0.900 1.00 0.00 O ATOM 2846 CB ILE B 80 6.983 -1.528 1.948 1.00 0.00 C ATOM 2847 CG1 ILE B 80 7.210 -2.319 3.232 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.570 -0.979 1.919 1.00 0.00 C ATOM 2849 CD1 ILE B 80 6.009 -3.142 3.646 1.00 0.00 C ATOM 0 H ILE B 80 7.168 -0.704 -0.462 1.00 0.00 H new ATOM 0 HA ILE B 80 8.171 -2.996 0.933 1.00 0.00 H new ATOM 0 HB ILE B 80 7.670 -0.683 1.913 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.066 -2.980 3.097 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.464 -1.629 4.036 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.406 -0.350 2.794 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.428 -0.387 1.015 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.859 -1.805 1.927 1.00 0.00 H new ATOM 0 HD11 ILE B 80 6.236 -3.680 4.566 1.00 0.00 H new ATOM 0 HD12 ILE B 80 5.156 -2.483 3.812 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.768 -3.856 2.858 1.00 0.00 H new ATOM 2861 N GLY B 81 5.037 -2.918 -0.121 1.00 0.00 N ATOM 2862 CA GLY B 81 3.896 -3.779 -0.381 1.00 0.00 C ATOM 2863 C GLY B 81 4.329 -5.043 -1.084 1.00 0.00 C ATOM 2864 O GLY B 81 4.001 -6.146 -0.650 1.00 0.00 O ATOM 0 H GLY B 81 4.941 -1.959 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.403 -4.030 0.558 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.166 -3.249 -0.993 1.00 0.00 H new ATOM 2868 N GLY B 82 5.100 -4.880 -2.156 1.00 0.00 N ATOM 2869 CA GLY B 82 5.599 -6.038 -2.879 1.00 0.00 C ATOM 2870 C GLY B 82 6.271 -7.029 -1.942 1.00 0.00 C ATOM 2871 O GLY B 82 6.076 -8.238 -2.067 1.00 0.00 O ATOM 0 H GLY B 82 5.386 -3.977 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.775 -6.527 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.309 -5.715 -3.640 1.00 0.00 H new ATOM 2875 N LEU B 83 7.047 -6.518 -0.985 1.00 0.00 N ATOM 2876 CA LEU B 83 7.714 -7.382 -0.014 1.00 0.00 C ATOM 2877 C LEU B 83 6.694 -8.224 0.741 1.00 0.00 C ATOM 2878 O LEU B 83 6.866 -9.432 0.895 1.00 0.00 O ATOM 2879 CB LEU B 83 8.529 -6.553 0.978 1.00 0.00 C ATOM 2880 CG LEU B 83 9.242 -5.351 0.369 1.00 0.00 C ATOM 2881 CD1 LEU B 83 10.174 -4.708 1.380 1.00 0.00 C ATOM 2882 CD2 LEU B 83 10.002 -5.766 -0.880 1.00 0.00 C ATOM 0 H LEU B 83 7.227 -5.521 -0.863 1.00 0.00 H new ATOM 0 HA LEU B 83 8.388 -8.042 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.866 -6.203 1.769 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.271 -7.199 1.447 1.00 0.00 H new ATOM 0 HG LEU B 83 8.493 -4.611 0.086 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.672 -3.853 0.923 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.599 -4.375 2.244 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.921 -5.434 1.700 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.506 -4.898 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.741 -6.524 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.305 -6.174 -1.612 1.00 0.00 H new ATOM 2894 N ALA B 84 5.626 -7.578 1.209 1.00 0.00 N ATOM 2895 CA ALA B 84 4.580 -8.283 1.945 1.00 0.00 C ATOM 2896 C ALA B 84 4.027 -9.444 1.137 1.00 0.00 C ATOM 2897 O ALA B 84 3.609 -10.462 1.689 1.00 0.00 O ATOM 2898 CB ALA B 84 3.446 -7.338 2.286 1.00 0.00 C ATOM 0 H ALA B 84 5.464 -6.578 1.093 1.00 0.00 H new ATOM 0 HA ALA B 84 5.028 -8.669 2.861 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.674 -7.878 2.834 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.825 -6.522 2.902 1.00 0.00 H new ATOM 0 HB3 ALA B 84 3.022 -6.932 1.368 1.00 0.00 H new ATOM 2904 N VAL B 85 4.019 -9.273 -0.174 1.00 0.00 N ATOM 2905 CA VAL B 85 3.507 -10.297 -1.074 1.00 0.00 C ATOM 2906 C VAL B 85 4.567 -11.327 -1.407 1.00 0.00 C ATOM 2907 O VAL B 85 4.261 -12.418 -1.884 1.00 0.00 O ATOM 2908 CB VAL B 85 2.938 -9.713 -2.390 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.481 -10.105 -2.525 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.078 -8.197 -2.462 1.00 0.00 C ATOM 0 H VAL B 85 4.362 -8.434 -0.641 1.00 0.00 H new ATOM 0 HA VAL B 85 2.690 -10.776 -0.534 1.00 0.00 H new ATOM 0 HB VAL B 85 3.518 -10.127 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.078 -9.695 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.397 -11.192 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.918 -9.711 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.664 -7.838 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.538 -7.742 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.132 -7.926 -2.402 1.00 0.00 H new ATOM 2920 N ALA B 86 5.811 -10.971 -1.161 1.00 0.00 N ATOM 2921 CA ALA B 86 6.917 -11.855 -1.440 1.00 0.00 C ATOM 2922 C ALA B 86 7.613 -12.289 -0.154 1.00 0.00 C ATOM 2923 O ALA B 86 8.715 -12.834 -0.186 1.00 0.00 O ATOM 2924 CB ALA B 86 7.869 -11.146 -2.371 1.00 0.00 C ATOM 0 H ALA B 86 6.079 -10.070 -0.766 1.00 0.00 H new ATOM 0 HA ALA B 86 6.551 -12.764 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.713 -11.798 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.352 -10.892 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.231 -10.234 -1.896 1.00 0.00 H new ATOM 2930 N CYS B 87 6.954 -12.049 0.977 1.00 0.00 N ATOM 2931 CA CYS B 87 7.501 -12.419 2.277 1.00 0.00 C ATOM 2932 C CYS B 87 6.393 -12.595 3.317 1.00 0.00 C ATOM 2933 O CYS B 87 6.469 -13.485 4.165 1.00 0.00 O ATOM 2934 CB CYS B 87 8.501 -11.364 2.753 1.00 0.00 C ATOM 2935 SG CYS B 87 10.232 -11.869 2.604 1.00 0.00 S ATOM 0 H CYS B 87 6.039 -11.599 1.018 1.00 0.00 H new ATOM 0 HA CYS B 87 8.015 -13.374 2.162 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.349 -10.450 2.179 1.00 0.00 H new ATOM 0 HB3 CYS B 87 8.292 -11.124 3.796 1.00 0.00 H new ATOM 0 HG CYS B 87 11.002 -10.911 3.029 1.00 0.00 H new ATOM 2941 N HIS B 88 5.367 -11.747 3.255 1.00 0.00 N ATOM 2942 CA HIS B 88 4.261 -11.828 4.205 1.00 0.00 C ATOM 2943 C HIS B 88 3.150 -12.730 3.679 1.00 0.00 C ATOM 2944 O HIS B 88 3.039 -12.959 2.474 1.00 0.00 O ATOM 2945 CB HIS B 88 3.706 -10.434 4.502 1.00 0.00 C ATOM 2946 CG HIS B 88 3.147 -10.295 5.884 1.00 0.00 C ATOM 2947 ND1 HIS B 88 1.984 -10.738 6.420 1.00 0.00 N flip ATOM 2948 CD2 HIS B 88 3.805 -9.631 6.898 1.00 0.00 C flip ATOM 2949 CE1 HIS B 88 1.964 -10.338 7.733 1.00 0.00 C flip ATOM 2950 NE2 HIS B 88 3.073 -9.673 7.996 1.00 0.00 N flip ATOM 0 H HIS B 88 5.280 -11.003 2.563 1.00 0.00 H new ATOM 0 HA HIS B 88 4.646 -12.260 5.128 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.499 -9.699 4.364 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.925 -10.201 3.778 1.00 0.00 H new ATOM 0 HD1 HIS B 88 1.259 -11.269 5.938 1.00 0.00 H new ATOM 0 HD2 HIS B 88 4.769 -9.152 6.808 1.00 0.00 H new ATOM 0 HE1 HIS B 88 1.169 -10.536 8.437 1.00 0.00 H new ATOM 2959 N GLU B 89 2.330 -13.242 4.593 1.00 0.00 N ATOM 2960 CA GLU B 89 1.227 -14.123 4.226 1.00 0.00 C ATOM 2961 C GLU B 89 0.250 -13.415 3.292 1.00 0.00 C ATOM 2962 O GLU B 89 -0.667 -12.728 3.742 1.00 0.00 O ATOM 2963 CB GLU B 89 0.498 -14.611 5.480 1.00 0.00 C ATOM 2964 CG GLU B 89 0.358 -16.122 5.551 1.00 0.00 C ATOM 2965 CD GLU B 89 -0.476 -16.685 4.415 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -0.507 -16.057 3.336 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -1.096 -17.752 4.605 1.00 0.00 O ATOM 0 H GLU B 89 2.409 -13.061 5.594 1.00 0.00 H new ATOM 0 HA GLU B 89 1.641 -14.983 3.699 1.00 0.00 H new ATOM 0 HB2 GLU B 89 1.035 -14.262 6.362 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.494 -14.160 5.512 1.00 0.00 H new ATOM 0 HG2 GLU B 89 1.349 -16.576 5.529 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -0.098 -16.397 6.502 1.00 0.00 H new ATOM 2974 N SER B 90 0.451 -13.594 1.992 1.00 0.00 N ATOM 2975 CA SER B 90 -0.412 -12.978 0.991 1.00 0.00 C ATOM 2976 C SER B 90 -0.473 -13.839 -0.266 1.00 0.00 C ATOM 2977 O SER B 90 -1.513 -14.414 -0.588 1.00 0.00 O ATOM 2978 CB SER B 90 0.092 -11.577 0.641 1.00 0.00 C ATOM 2979 OG SER B 90 0.395 -10.838 1.812 1.00 0.00 O ATOM 0 H SER B 90 1.205 -14.162 1.606 1.00 0.00 H new ATOM 0 HA SER B 90 -1.416 -12.897 1.409 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.981 -11.653 0.014 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.664 -11.050 0.059 1.00 0.00 H new ATOM 0 HG SER B 90 1.356 -10.650 1.841 1.00 0.00 H new ATOM 2985 N PHE B 91 0.650 -13.927 -0.970 1.00 0.00 N ATOM 2986 CA PHE B 91 0.729 -14.723 -2.190 1.00 0.00 C ATOM 2987 C PHE B 91 1.800 -15.802 -2.069 1.00 0.00 C ATOM 2988 O PHE B 91 1.669 -16.887 -2.635 1.00 0.00 O ATOM 2989 CB PHE B 91 1.023 -13.827 -3.394 1.00 0.00 C ATOM 2990 CG PHE B 91 -0.109 -13.765 -4.380 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -0.676 -14.928 -4.877 1.00 0.00 C ATOM 2992 CD2 PHE B 91 -0.608 -12.544 -4.806 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -1.721 -14.875 -5.780 1.00 0.00 C ATOM 2994 CE2 PHE B 91 -1.652 -12.485 -5.711 1.00 0.00 C ATOM 2995 CZ PHE B 91 -2.208 -13.652 -6.197 1.00 0.00 C ATOM 0 H PHE B 91 1.519 -13.457 -0.717 1.00 0.00 H new ATOM 0 HA PHE B 91 -0.235 -15.210 -2.337 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.245 -12.819 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE B 91 1.917 -14.192 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -0.297 -15.887 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE B 91 -0.177 -11.629 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -2.156 -15.788 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE B 91 -2.032 -11.528 -6.037 1.00 0.00 H new ATOM 0 HZ PHE B 91 -3.024 -13.608 -6.903 1.00 0.00 H new ATOM 3005 N VAL B 92 2.862 -15.496 -1.329 1.00 0.00 N ATOM 3006 CA VAL B 92 3.958 -16.439 -1.135 1.00 0.00 C ATOM 3007 C VAL B 92 3.451 -17.796 -0.658 1.00 0.00 C ATOM 3008 O VAL B 92 4.093 -18.823 -0.882 1.00 0.00 O ATOM 3009 CB VAL B 92 4.997 -15.908 -0.123 1.00 0.00 C ATOM 3010 CG1 VAL B 92 5.986 -14.984 -0.813 1.00 0.00 C ATOM 3011 CG2 VAL B 92 4.314 -15.199 1.042 1.00 0.00 C ATOM 0 H VAL B 92 2.986 -14.602 -0.854 1.00 0.00 H new ATOM 0 HA VAL B 92 4.437 -16.556 -2.107 1.00 0.00 H new ATOM 0 HB VAL B 92 5.545 -16.759 0.280 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.711 -14.619 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL B 92 6.505 -15.530 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL B 92 5.452 -14.139 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.069 -14.835 1.739 1.00 0.00 H new ATOM 0 HG22 VAL B 92 3.732 -14.358 0.665 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.652 -15.897 1.555 1.00 0.00 H new