USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -0.197 X(o=-0.27,f=-0.08) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.0699 X(o=-0.27,f=-0.08) USER MOD Single : A 5 THR OG1 : rot 19:sc= 0.291 USER MOD Single : A 8 CYS SG : rot 8:sc= -1.54 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.41) USER MOD Single : A 18 GLN : amide:sc= -2.16 K(o=-2.2,f=-9.1!) USER MOD Single : A 21 GLN : amide:sc= 0.109 K(o=0.11,f=-4.2!) USER MOD Single : A 23 TYR OH : rot -30:sc= -0.579 USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 0.0602 (180deg=-0.106) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.964 K(o=0.96,f=-0.51) USER MOD Single : A 36 SER OG : rot 44:sc= -4.56! USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= -0.464 (180deg=-1.22) USER MOD Single : A 42 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.5) USER MOD Single : A 45 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 147:sc= -0.134 (180deg=-0.956) USER MOD Single : A 52 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.4!) USER MOD Single : A 54 LYS NZ :NH3+ 136:sc= -1.65! (180deg=-4.47!) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0227) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 178:sc= -12.1! (180deg=-12.3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.73) USER MOD Single : A 63 HIS : no HD1:sc= -4.76 K(o=-4.8,f=-13!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0434 K(o=-0.043,f=-1.4!) USER MOD Single : A 71 MET CE :methyl -173:sc= -4.79 (180deg=-5.32) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.346 F(o=-1.4,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -9.021 -18.809 40.855 1.00 61.43 N ATOM 63 CA THR A 5 -9.449 -19.115 39.493 1.00 75.42 C ATOM 64 C THR A 5 -10.862 -18.595 39.241 1.00 53.15 C ATOM 65 O THR A 5 -11.836 -19.135 39.766 1.00 32.22 O ATOM 66 CB THR A 5 -9.393 -20.627 39.251 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.185 -21.170 39.757 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.489 -21.006 37.790 1.00 34.41 C ATOM 0 HA THR A 5 -8.771 -18.618 38.799 1.00 75.42 H new ATOM 0 HB THR A 5 -10.260 -21.034 39.771 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.794 -20.549 40.407 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.443 -22.091 37.692 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.433 -20.644 37.382 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.661 -20.557 37.242 1.00 34.41 H new ATOM 76 N ILE A 6 -10.966 -17.538 38.441 1.00 1.53 N ATOM 77 CA ILE A 6 -12.260 -16.940 38.128 1.00 33.41 C ATOM 78 C ILE A 6 -12.950 -17.677 36.986 1.00 11.10 C ATOM 79 O ILE A 6 -12.428 -18.661 36.464 1.00 72.21 O ATOM 80 CB ILE A 6 -12.114 -15.447 37.755 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.426 -15.288 36.393 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.335 -14.707 38.834 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.550 -13.894 35.820 1.00 23.21 C ATOM 0 H ILE A 6 -10.171 -17.078 37.998 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.872 -17.024 39.026 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.111 -15.013 37.683 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.370 -15.539 36.495 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.856 -16.002 35.691 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.240 -13.657 38.558 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.864 -14.786 39.784 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.343 -15.147 38.933 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.042 -13.850 34.857 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.603 -13.648 35.686 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.094 -13.178 36.504 1.00 23.21 H new ATOM 95 N PHE A 7 -14.120 -17.183 36.595 1.00 13.34 N ATOM 96 CA PHE A 7 -14.878 -17.783 35.504 1.00 50.22 C ATOM 97 C PHE A 7 -15.108 -16.767 34.393 1.00 42.14 C ATOM 98 O PHE A 7 -16.038 -15.964 34.454 1.00 72.41 O ATOM 99 CB PHE A 7 -16.220 -18.322 36.006 1.00 50.24 C ATOM 100 CG PHE A 7 -16.810 -19.369 35.105 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.188 -20.598 34.948 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.983 -19.122 34.407 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.723 -21.560 34.114 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.523 -20.083 33.573 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.892 -21.303 33.425 1.00 21.53 C ATOM 0 H PHE A 7 -14.564 -16.368 37.018 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.297 -18.615 35.107 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.086 -18.743 37.002 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.924 -17.495 36.101 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.274 -20.806 35.484 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.479 -18.169 34.516 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.227 -22.513 34.001 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.438 -19.880 33.037 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.312 -22.054 32.772 1.00 21.53 H new ATOM 115 N CYS A 8 -14.250 -16.809 33.381 1.00 31.32 N ATOM 116 CA CYS A 8 -14.351 -15.890 32.254 1.00 54.41 C ATOM 117 C CYS A 8 -15.704 -16.029 31.560 1.00 65.22 C ATOM 118 O CYS A 8 -16.287 -17.113 31.529 1.00 34.32 O ATOM 119 CB CYS A 8 -13.219 -16.162 31.261 1.00 24.25 C ATOM 120 SG CYS A 8 -13.062 -14.921 29.955 1.00 51.15 S ATOM 0 H CYS A 8 -13.476 -17.470 33.318 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.264 -14.870 32.629 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.278 -16.219 31.808 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.380 -17.137 30.802 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.856 -13.923 30.207 1.00 51.15 H new ATOM 126 N THR A 9 -16.197 -14.927 31.000 1.00 52.25 N ATOM 127 CA THR A 9 -17.480 -14.933 30.301 1.00 12.21 C ATOM 128 C THR A 9 -17.277 -15.010 28.790 1.00 43.22 C ATOM 129 O THR A 9 -18.172 -15.424 28.052 1.00 73.23 O ATOM 130 CB THR A 9 -18.290 -13.684 30.658 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.596 -13.763 30.117 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.664 -12.401 30.159 1.00 1.45 C ATOM 0 H THR A 9 -15.729 -14.021 31.016 1.00 52.25 H new ATOM 0 HA THR A 9 -18.033 -15.816 30.620 1.00 12.21 H new ATOM 0 HB THR A 9 -18.314 -13.657 31.747 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.099 -12.957 30.357 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.289 -11.555 30.446 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.673 -12.285 30.598 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.578 -12.436 29.073 1.00 1.45 H new ATOM 140 N PHE A 10 -16.089 -14.616 28.335 1.00 65.32 N ATOM 141 CA PHE A 10 -15.762 -14.650 26.915 1.00 62.40 C ATOM 142 C PHE A 10 -15.519 -16.087 26.473 1.00 73.04 C ATOM 143 O PHE A 10 -16.046 -16.534 25.454 1.00 1.33 O ATOM 144 CB PHE A 10 -14.525 -13.795 26.639 1.00 25.33 C ATOM 145 CG PHE A 10 -14.103 -13.786 25.198 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.963 -13.324 24.215 1.00 62.10 C ATOM 147 CD2 PHE A 10 -12.845 -14.234 24.827 1.00 61.21 C ATOM 148 CE1 PHE A 10 -14.576 -13.309 22.889 1.00 3.30 C ATOM 149 CE2 PHE A 10 -12.454 -14.221 23.502 1.00 51.44 C ATOM 150 CZ PHE A 10 -13.321 -13.757 22.531 1.00 24.22 C ATOM 0 H PHE A 10 -15.338 -14.270 28.932 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.600 -14.244 26.348 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.724 -12.771 26.956 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.698 -14.162 27.248 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.947 -12.972 24.488 1.00 62.10 H new ATOM 0 HD2 PHE A 10 -12.163 -14.597 25.582 1.00 61.21 H new ATOM 0 HE1 PHE A 10 -15.256 -12.946 22.132 1.00 3.30 H new ATOM 0 HE2 PHE A 10 -11.471 -14.573 23.225 1.00 51.44 H new ATOM 0 HZ PHE A 10 -13.017 -13.745 21.495 1.00 24.22 H new ATOM 160 N LEU A 11 -14.733 -16.814 27.261 1.00 73.11 N ATOM 161 CA LEU A 11 -14.437 -18.211 26.966 1.00 31.00 C ATOM 162 C LEU A 11 -15.423 -19.132 27.676 1.00 73.10 C ATOM 163 O LEU A 11 -15.502 -20.324 27.374 1.00 62.15 O ATOM 164 CB LEU A 11 -13.009 -18.563 27.385 1.00 1.01 C ATOM 165 CG LEU A 11 -11.958 -17.496 27.080 1.00 4.35 C ATOM 166 CD1 LEU A 11 -10.821 -17.571 28.087 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.430 -17.657 25.661 1.00 2.01 C ATOM 0 H LEU A 11 -14.290 -16.459 28.108 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.533 -18.352 25.890 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.001 -18.762 28.457 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -12.719 -19.488 26.887 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.426 -16.515 27.161 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.080 -16.805 27.857 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.213 -17.407 29.091 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.354 -18.555 28.036 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.683 -16.889 25.461 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -10.976 -18.642 25.551 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.253 -17.556 24.953 1.00 2.01 H new ATOM 179 N GLN A 12 -16.171 -18.578 28.626 1.00 23.53 N ATOM 180 CA GLN A 12 -17.145 -19.353 29.378 1.00 23.44 C ATOM 181 C GLN A 12 -16.466 -20.514 30.096 1.00 25.43 C ATOM 182 O GLN A 12 -16.989 -21.627 30.137 1.00 51.41 O ATOM 183 CB GLN A 12 -18.245 -19.875 28.451 1.00 53.11 C ATOM 184 CG GLN A 12 -19.431 -18.932 28.331 1.00 64.42 C ATOM 185 CD GLN A 12 -20.089 -18.653 29.667 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.534 -19.571 30.357 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.154 -17.381 30.041 1.00 71.40 N ATOM 0 H GLN A 12 -16.119 -17.594 28.891 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.599 -18.701 30.124 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -17.824 -20.046 27.460 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.593 -20.840 28.820 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.100 -17.992 27.889 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.166 -19.363 27.651 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.772 -16.652 29.438 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.585 -17.133 30.931 1.00 71.40 H new ATOM 196 N ARG A 13 -15.301 -20.240 30.673 1.00 31.42 N ATOM 197 CA ARG A 13 -14.548 -21.254 31.406 1.00 30.23 C ATOM 198 C ARG A 13 -13.916 -20.640 32.653 1.00 63.10 C ATOM 199 O ARG A 13 -14.079 -19.448 32.916 1.00 64.23 O ATOM 200 CB ARG A 13 -13.458 -21.875 30.523 1.00 73.20 C ATOM 201 CG ARG A 13 -13.655 -21.640 29.034 1.00 72.11 C ATOM 202 CD ARG A 13 -12.485 -22.179 28.227 1.00 24.42 C ATOM 203 NE ARG A 13 -12.656 -21.952 26.795 1.00 51.31 N ATOM 204 CZ ARG A 13 -13.555 -22.587 26.044 1.00 21.21 C ATOM 205 NH1 ARG A 13 -14.356 -23.498 26.583 1.00 22.03 N ATOM 206 NH2 ARG A 13 -13.648 -22.313 24.751 1.00 63.21 N ATOM 0 H ARG A 13 -14.856 -19.323 30.648 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.241 -22.041 31.703 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.491 -21.469 30.819 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.423 -22.948 30.709 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.577 -22.121 28.707 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -13.768 -20.573 28.845 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -11.564 -21.702 28.562 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -12.377 -23.247 28.414 1.00 24.42 H new ATOM 0 HE ARG A 13 -12.051 -21.266 26.342 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -14.285 -23.715 27.577 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -15.042 -23.981 26.003 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -13.032 -21.617 24.332 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -14.336 -22.798 24.175 1.00 63.21 H new ATOM 220 N GLU A 14 -13.193 -21.453 33.418 1.00 1.13 N ATOM 221 CA GLU A 14 -12.540 -20.970 34.630 1.00 34.13 C ATOM 222 C GLU A 14 -11.062 -20.688 34.375 1.00 14.15 C ATOM 223 O GLU A 14 -10.273 -21.609 34.164 1.00 14.24 O ATOM 224 CB GLU A 14 -12.693 -21.981 35.768 1.00 13.12 C ATOM 225 CG GLU A 14 -12.925 -21.334 37.124 1.00 33.02 C ATOM 226 CD GLU A 14 -13.547 -22.285 38.125 1.00 62.23 C ATOM 227 OE1 GLU A 14 -14.305 -23.182 37.700 1.00 33.53 O ATOM 228 OE2 GLU A 14 -13.278 -22.133 39.336 1.00 65.42 O ATOM 0 H GLU A 14 -13.045 -22.443 33.222 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.025 -20.039 34.923 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.527 -22.646 35.544 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.797 -22.599 35.817 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -11.975 -20.970 37.516 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.573 -20.466 37.002 1.00 33.02 H new ATOM 235 N ALA A 15 -10.697 -19.408 34.390 1.00 12.03 N ATOM 236 CA ALA A 15 -9.316 -19.003 34.154 1.00 21.22 C ATOM 237 C ALA A 15 -8.669 -18.471 35.429 1.00 54.41 C ATOM 238 O ALA A 15 -9.313 -18.378 36.473 1.00 2.04 O ATOM 239 CB ALA A 15 -9.259 -17.953 33.053 1.00 50.14 C ATOM 0 H ALA A 15 -11.339 -18.635 34.563 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.755 -19.882 33.837 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.223 -17.658 32.885 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.672 -18.367 32.133 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.841 -17.081 33.351 1.00 50.14 H new ATOM 245 N GLU A 16 -7.391 -18.119 35.335 1.00 3.04 N ATOM 246 CA GLU A 16 -6.654 -17.595 36.479 1.00 72.43 C ATOM 247 C GLU A 16 -7.148 -16.209 36.841 1.00 31.24 C ATOM 248 O GLU A 16 -7.172 -15.825 38.011 1.00 54.24 O ATOM 249 CB GLU A 16 -5.152 -17.539 36.181 1.00 40.45 C ATOM 250 CG GLU A 16 -4.698 -18.527 35.121 1.00 2.55 C ATOM 251 CD GLU A 16 -3.326 -19.104 35.406 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.137 -19.670 36.504 1.00 45.02 O ATOM 253 OE2 GLU A 16 -2.439 -18.992 34.533 1.00 44.31 O ATOM 0 H GLU A 16 -6.844 -18.187 34.477 1.00 3.04 H new ATOM 0 HA GLU A 16 -6.823 -18.268 37.320 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.893 -16.531 35.859 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -4.601 -17.731 37.102 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.422 -19.339 35.054 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -4.684 -18.031 34.150 1.00 2.55 H new ATOM 260 N GLY A 17 -7.543 -15.468 35.824 1.00 52.13 N ATOM 261 CA GLY A 17 -8.039 -14.127 36.035 1.00 51.12 C ATOM 262 C GLY A 17 -6.934 -13.089 36.039 1.00 22.35 C ATOM 263 O GLY A 17 -5.763 -13.421 36.225 1.00 53.22 O ATOM 0 H GLY A 17 -7.530 -15.771 34.850 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.759 -13.883 35.253 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.573 -14.087 36.984 1.00 51.12 H new ATOM 267 N GLN A 18 -7.308 -11.829 35.836 1.00 21.14 N ATOM 268 CA GLN A 18 -6.339 -10.738 35.817 1.00 54.11 C ATOM 269 C GLN A 18 -5.843 -10.429 37.226 1.00 43.52 C ATOM 270 O GLN A 18 -6.326 -11.001 38.204 1.00 15.54 O ATOM 271 CB GLN A 18 -6.958 -9.485 35.194 1.00 11.52 C ATOM 272 CG GLN A 18 -7.680 -9.750 33.883 1.00 53.05 C ATOM 273 CD GLN A 18 -7.780 -8.514 33.011 1.00 62.42 C ATOM 274 OE1 GLN A 18 -6.824 -7.746 32.893 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.940 -8.312 32.397 1.00 14.32 N ATOM 0 H GLN A 18 -8.274 -11.539 35.683 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.489 -11.051 35.211 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.660 -9.046 35.903 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -6.173 -8.748 35.024 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -7.156 -10.534 33.336 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -8.682 -10.123 34.094 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -9.706 -8.974 32.523 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.065 -7.495 31.800 1.00 14.32 H new ATOM 284 N ASP A 19 -4.875 -9.525 37.323 1.00 30.30 N ATOM 285 CA ASP A 19 -4.312 -9.144 38.613 1.00 31.15 C ATOM 286 C ASP A 19 -4.672 -7.704 38.968 1.00 54.34 C ATOM 287 O ASP A 19 -4.766 -7.350 40.143 1.00 62.12 O ATOM 288 CB ASP A 19 -2.792 -9.312 38.597 1.00 61.25 C ATOM 289 CG ASP A 19 -2.261 -9.906 39.887 1.00 4.21 C ATOM 290 OD1 ASP A 19 -2.403 -9.253 40.942 1.00 32.45 O ATOM 291 OD2 ASP A 19 -1.706 -11.023 39.842 1.00 63.02 O ATOM 0 H ASP A 19 -4.464 -9.042 36.524 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.738 -9.800 39.372 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.509 -9.953 37.762 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.324 -8.342 38.427 1.00 61.25 H new ATOM 296 N PHE A 20 -4.872 -6.875 37.945 1.00 75.50 N ATOM 297 CA PHE A 20 -5.219 -5.475 38.156 1.00 61.11 C ATOM 298 C PHE A 20 -6.143 -4.963 37.053 1.00 11.10 C ATOM 299 O PHE A 20 -6.063 -5.405 35.909 1.00 10.14 O ATOM 300 CB PHE A 20 -3.953 -4.619 38.212 1.00 42.10 C ATOM 301 CG PHE A 20 -2.986 -4.903 37.096 1.00 20.33 C ATOM 302 CD1 PHE A 20 -3.070 -4.212 35.896 1.00 62.20 C ATOM 303 CD2 PHE A 20 -1.995 -5.861 37.245 1.00 53.11 C ATOM 304 CE1 PHE A 20 -2.185 -4.472 34.868 1.00 64.11 C ATOM 305 CE2 PHE A 20 -1.108 -6.125 36.218 1.00 13.12 C ATOM 306 CZ PHE A 20 -1.203 -5.430 35.028 1.00 51.01 C ATOM 0 H PHE A 20 -4.799 -7.149 36.965 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.747 -5.400 39.107 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -4.234 -3.566 38.179 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.453 -4.786 39.166 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.836 -3.462 35.764 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -1.915 -6.407 38.173 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -2.261 -3.926 33.939 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -0.341 -6.874 36.346 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.511 -5.635 34.225 1.00 51.01 H new ATOM 316 N GLN A 21 -7.016 -4.024 37.410 1.00 15.34 N ATOM 317 CA GLN A 21 -7.953 -3.447 36.452 1.00 22.42 C ATOM 318 C GLN A 21 -7.208 -2.734 35.326 1.00 75.54 C ATOM 319 O GLN A 21 -6.458 -1.787 35.569 1.00 3.30 O ATOM 320 CB GLN A 21 -8.895 -2.470 37.162 1.00 41.11 C ATOM 321 CG GLN A 21 -10.164 -2.172 36.382 1.00 63.45 C ATOM 322 CD GLN A 21 -11.081 -1.206 37.106 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.324 -1.343 38.306 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.597 -0.220 36.380 1.00 51.02 N ATOM 0 H GLN A 21 -7.093 -3.647 38.355 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.540 -4.255 36.016 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.165 -2.881 38.135 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.364 -1.536 37.346 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.899 -1.756 35.410 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.698 -3.104 36.195 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.369 -0.143 35.389 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.221 0.460 36.814 1.00 51.02 H new ATOM 333 N LEU A 22 -7.417 -3.195 34.096 1.00 10.45 N ATOM 334 CA LEU A 22 -6.760 -2.602 32.935 1.00 4.02 C ATOM 335 C LEU A 22 -7.570 -1.432 32.385 1.00 35.51 C ATOM 336 O LEU A 22 -7.012 -0.402 32.010 1.00 71.53 O ATOM 337 CB LEU A 22 -6.554 -3.659 31.848 1.00 12.14 C ATOM 338 CG LEU A 22 -5.906 -4.958 32.329 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.616 -5.879 31.156 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.630 -4.664 33.104 1.00 4.03 C ATOM 0 H LEU A 22 -8.035 -3.976 33.878 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.788 -2.223 33.251 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.521 -3.895 31.403 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.936 -3.232 31.059 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.606 -5.462 32.996 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.155 -6.797 31.520 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.547 -6.119 30.643 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -4.937 -5.382 30.463 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.183 -5.600 33.438 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.927 -4.136 32.460 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.865 -4.045 33.970 1.00 4.03 H new ATOM 352 N TYR A 23 -8.888 -1.591 32.352 1.00 34.05 N ATOM 353 CA TYR A 23 -9.772 -0.539 31.864 1.00 23.50 C ATOM 354 C TYR A 23 -10.151 0.395 33.012 1.00 25.40 C ATOM 355 O TYR A 23 -9.950 0.063 34.179 1.00 43.13 O ATOM 356 CB TYR A 23 -11.032 -1.141 31.244 1.00 63.45 C ATOM 357 CG TYR A 23 -11.269 -0.746 29.808 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.259 -0.832 28.862 1.00 4.51 C ATOM 359 CD2 TYR A 23 -12.513 -0.292 29.403 1.00 65.42 C ATOM 360 CE1 TYR A 23 -10.486 -0.474 27.546 1.00 71.50 C ATOM 361 CE2 TYR A 23 -12.750 0.069 28.092 1.00 33.35 C ATOM 362 CZ TYR A 23 -11.734 -0.023 27.166 1.00 12.35 C ATOM 363 OH TYR A 23 -11.970 0.333 25.856 1.00 2.05 O ATOM 0 H TYR A 23 -9.368 -2.438 32.657 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.246 0.029 31.097 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.968 -2.227 31.304 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.895 -0.839 31.838 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.281 -1.184 29.157 1.00 4.51 H new ATOM 0 HD2 TYR A 23 -13.312 -0.219 30.126 1.00 65.42 H new ATOM 0 HE1 TYR A 23 -9.691 -0.547 26.819 1.00 71.50 H new ATOM 0 HE2 TYR A 23 -13.726 0.422 27.794 1.00 33.35 H new ATOM 0 HH TYR A 23 -11.142 0.670 25.454 1.00 2.05 H new ATOM 373 N PRO A 24 -10.700 1.580 32.704 1.00 32.24 N ATOM 374 CA PRO A 24 -11.095 2.554 33.718 1.00 11.05 C ATOM 375 C PRO A 24 -12.539 2.372 34.173 1.00 1.33 C ATOM 376 O PRO A 24 -13.198 1.395 33.815 1.00 21.12 O ATOM 377 CB PRO A 24 -10.960 3.858 32.953 1.00 65.33 C ATOM 378 CG PRO A 24 -11.462 3.499 31.597 1.00 43.20 C ATOM 379 CD PRO A 24 -10.977 2.089 31.344 1.00 63.42 C ATOM 0 HA PRO A 24 -10.500 2.480 34.629 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.550 4.655 33.405 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -9.927 4.204 32.923 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.550 3.553 31.555 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.079 4.186 30.843 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.731 1.489 30.835 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.084 2.076 30.719 1.00 63.42 H new ATOM 387 N GLY A 25 -13.023 3.339 34.944 1.00 62.31 N ATOM 388 CA GLY A 25 -14.392 3.315 35.432 1.00 55.53 C ATOM 389 C GLY A 25 -14.886 1.946 35.846 1.00 61.45 C ATOM 390 O GLY A 25 -14.139 1.139 36.398 1.00 31.03 O ATOM 0 H GLY A 25 -12.484 4.151 35.244 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.473 3.990 36.284 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.049 3.705 34.654 1.00 55.53 H new ATOM 394 N GLU A 26 -16.164 1.700 35.584 1.00 34.32 N ATOM 395 CA GLU A 26 -16.798 0.436 35.936 1.00 25.33 C ATOM 396 C GLU A 26 -16.497 -0.640 34.906 1.00 14.12 C ATOM 397 O GLU A 26 -16.378 -1.818 35.242 1.00 61.02 O ATOM 398 CB GLU A 26 -18.311 0.617 36.060 1.00 60.13 C ATOM 399 CG GLU A 26 -18.926 -0.175 37.202 1.00 32.34 C ATOM 400 CD GLU A 26 -19.672 0.703 38.187 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.018 1.285 39.078 1.00 61.30 O ATOM 402 OE2 GLU A 26 -20.910 0.809 38.066 1.00 44.40 O ATOM 0 H GLU A 26 -16.786 2.366 35.125 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.390 0.118 36.895 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.532 1.675 36.202 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.783 0.316 35.125 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.610 -0.920 36.795 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.140 -0.717 37.728 1.00 32.34 H new ATOM 409 N LEU A 27 -16.384 -0.235 33.646 1.00 43.20 N ATOM 410 CA LEU A 27 -16.106 -1.181 32.577 1.00 70.03 C ATOM 411 C LEU A 27 -14.865 -2.003 32.894 1.00 3.24 C ATOM 412 O LEU A 27 -14.885 -3.230 32.815 1.00 43.43 O ATOM 413 CB LEU A 27 -15.935 -0.457 31.240 1.00 42.54 C ATOM 414 CG LEU A 27 -16.577 -1.143 30.025 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.456 -2.660 30.107 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.035 -0.734 29.894 1.00 51.13 C ATOM 0 H LEU A 27 -16.480 0.734 33.343 1.00 43.20 H new ATOM 0 HA LEU A 27 -16.958 -1.856 32.497 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.356 0.544 31.333 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.869 -0.338 31.046 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.036 -0.816 29.137 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.922 -3.110 29.230 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -15.403 -2.940 30.143 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.957 -3.017 31.007 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.475 -1.229 29.028 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.577 -1.026 30.793 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.100 0.347 29.766 1.00 51.13 H new ATOM 428 N GLY A 28 -13.788 -1.324 33.268 1.00 3.43 N ATOM 429 CA GLY A 28 -12.566 -2.022 33.607 1.00 70.33 C ATOM 430 C GLY A 28 -12.766 -2.965 34.767 1.00 53.45 C ATOM 431 O GLY A 28 -12.129 -4.015 34.842 1.00 64.53 O ATOM 0 H GLY A 28 -13.740 -0.308 33.342 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.214 -2.581 32.740 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.790 -1.298 33.856 1.00 70.33 H new ATOM 435 N LYS A 29 -13.666 -2.596 35.670 1.00 41.30 N ATOM 436 CA LYS A 29 -13.955 -3.429 36.828 1.00 11.31 C ATOM 437 C LYS A 29 -14.525 -4.779 36.395 1.00 74.12 C ATOM 438 O LYS A 29 -14.044 -5.828 36.823 1.00 50.10 O ATOM 439 CB LYS A 29 -14.928 -2.714 37.769 1.00 13.40 C ATOM 440 CG LYS A 29 -14.339 -2.435 39.142 1.00 74.43 C ATOM 441 CD LYS A 29 -15.017 -1.251 39.812 1.00 54.40 C ATOM 442 CE LYS A 29 -14.185 0.015 39.680 1.00 33.14 C ATOM 443 NZ LYS A 29 -15.028 1.210 39.399 1.00 73.52 N ATOM 0 H LYS A 29 -14.205 -1.731 35.623 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.022 -3.609 37.363 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.236 -1.772 37.315 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.826 -3.322 37.883 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.445 -3.319 39.771 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.271 -2.238 39.047 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -15.998 -1.091 39.365 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -15.180 -1.472 40.867 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -13.622 0.176 40.599 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -13.457 -0.112 38.879 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -14.679 2.019 39.952 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -14.981 1.438 38.385 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -16.014 1.009 39.663 1.00 73.52 H new ATOM 457 N ARG A 30 -15.555 -4.748 35.551 1.00 14.42 N ATOM 458 CA ARG A 30 -16.188 -5.977 35.072 1.00 74.43 C ATOM 459 C ARG A 30 -15.231 -6.807 34.216 1.00 51.04 C ATOM 460 O ARG A 30 -15.179 -8.024 34.350 1.00 65.32 O ATOM 461 CB ARG A 30 -17.461 -5.662 34.285 1.00 42.34 C ATOM 462 CG ARG A 30 -17.238 -4.699 33.138 1.00 12.00 C ATOM 463 CD ARG A 30 -18.550 -4.318 32.466 1.00 64.35 C ATOM 464 NE ARG A 30 -19.023 -2.992 32.866 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.883 -2.771 33.860 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.354 -3.782 34.583 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.272 -1.532 34.137 1.00 70.40 N ATOM 0 H ARG A 30 -15.968 -3.890 35.186 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.454 -6.568 35.949 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.876 -6.591 33.894 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.204 -5.241 34.963 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.743 -3.801 33.507 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.571 -5.153 32.405 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.420 -4.342 31.384 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.309 -5.060 32.713 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.672 -2.185 32.351 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.058 -4.736 34.379 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.012 -3.603 35.342 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.913 -0.750 33.589 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -20.930 -1.362 34.898 1.00 70.40 H new ATOM 481 N ILE A 31 -14.461 -6.151 33.346 1.00 42.52 N ATOM 482 CA ILE A 31 -13.502 -6.865 32.500 1.00 44.44 C ATOM 483 C ILE A 31 -12.505 -7.605 33.367 1.00 73.55 C ATOM 484 O ILE A 31 -12.437 -8.832 33.363 1.00 62.43 O ATOM 485 CB ILE A 31 -12.733 -5.911 31.570 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.701 -5.047 30.769 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.818 -6.690 30.637 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.155 -3.674 30.471 1.00 24.11 C ATOM 0 H ILE A 31 -14.481 -5.140 33.209 1.00 42.52 H new ATOM 0 HA ILE A 31 -14.070 -7.563 31.885 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.117 -5.257 32.187 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.937 -5.550 29.831 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.635 -4.949 31.322 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.284 -5.996 29.988 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -11.101 -7.262 31.225 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.413 -7.371 30.028 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.889 -3.107 29.899 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.944 -3.155 31.406 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.236 -3.766 29.892 1.00 24.11 H new ATOM 500 N TYR A 32 -11.749 -6.837 34.133 1.00 64.50 N ATOM 501 CA TYR A 32 -10.767 -7.397 35.042 1.00 23.32 C ATOM 502 C TYR A 32 -11.421 -8.438 35.955 1.00 71.21 C ATOM 503 O TYR A 32 -10.734 -9.261 36.560 1.00 4.24 O ATOM 504 CB TYR A 32 -10.112 -6.262 35.846 1.00 61.31 C ATOM 505 CG TYR A 32 -9.765 -6.600 37.282 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.723 -6.515 38.284 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.478 -6.987 37.634 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.408 -6.809 39.597 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.155 -7.281 38.944 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.123 -7.191 39.923 1.00 75.01 C ATOM 511 OH TYR A 32 -8.806 -7.479 41.230 1.00 23.44 O ATOM 0 H TYR A 32 -11.798 -5.818 34.142 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.988 -7.908 34.476 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.201 -5.954 35.332 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.784 -5.404 35.845 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.730 -6.215 38.033 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.718 -7.059 36.870 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.165 -6.740 40.365 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.150 -7.580 39.201 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.861 -7.732 41.289 1.00 23.44 H new ATOM 521 N ASN A 33 -12.756 -8.396 36.058 1.00 73.34 N ATOM 522 CA ASN A 33 -13.474 -9.343 36.911 1.00 54.32 C ATOM 523 C ASN A 33 -13.976 -10.574 36.144 1.00 71.34 C ATOM 524 O ASN A 33 -13.705 -11.709 36.540 1.00 44.01 O ATOM 525 CB ASN A 33 -14.659 -8.653 37.590 1.00 0.31 C ATOM 526 CG ASN A 33 -14.330 -8.194 38.998 1.00 15.51 C ATOM 527 OD1 ASN A 33 -14.531 -8.928 39.964 1.00 33.41 O ATOM 528 ND2 ASN A 33 -13.821 -6.974 39.120 1.00 61.25 N ATOM 0 H ASN A 33 -13.350 -7.727 35.569 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.760 -9.689 37.658 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.967 -7.794 36.993 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.506 -9.339 37.623 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -13.580 -6.612 40.043 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -13.671 -6.399 38.291 1.00 61.25 H new ATOM 535 N GLU A 34 -14.741 -10.349 35.078 1.00 11.44 N ATOM 536 CA GLU A 34 -15.315 -11.449 34.300 1.00 12.01 C ATOM 537 C GLU A 34 -14.491 -11.805 33.063 1.00 33.04 C ATOM 538 O GLU A 34 -14.653 -12.884 32.498 1.00 14.34 O ATOM 539 CB GLU A 34 -16.741 -11.099 33.880 1.00 14.34 C ATOM 540 CG GLU A 34 -17.640 -10.735 35.047 1.00 71.44 C ATOM 541 CD GLU A 34 -18.251 -11.951 35.715 1.00 43.43 C ATOM 542 OE1 GLU A 34 -17.507 -12.915 35.987 1.00 51.51 O ATOM 543 OE2 GLU A 34 -19.474 -11.938 35.963 1.00 60.04 O ATOM 0 H GLU A 34 -14.978 -9.419 34.733 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.312 -12.325 34.948 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.711 -10.264 33.180 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.174 -11.946 33.348 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.065 -10.172 35.782 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.437 -10.079 34.696 1.00 71.44 H new ATOM 550 N ILE A 35 -13.619 -10.906 32.637 1.00 41.23 N ATOM 551 CA ILE A 35 -12.790 -11.150 31.463 1.00 15.01 C ATOM 552 C ILE A 35 -11.358 -11.498 31.866 1.00 22.10 C ATOM 553 O ILE A 35 -10.539 -10.615 32.115 1.00 72.42 O ATOM 554 CB ILE A 35 -12.783 -9.928 30.516 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.204 -9.611 30.037 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.867 -10.175 29.324 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.997 -10.835 29.631 1.00 44.35 C ATOM 0 H ILE A 35 -13.465 -10.002 33.084 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.223 -11.998 30.933 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.403 -9.070 31.071 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.738 -9.090 30.832 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.148 -8.928 29.190 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.877 -9.303 28.671 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.851 -10.353 29.677 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.217 -11.047 28.771 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.992 -10.532 29.304 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.486 -11.345 28.814 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -15.085 -11.510 30.482 1.00 44.35 H new ATOM 569 N SER A 36 -11.069 -12.795 31.928 1.00 32.24 N ATOM 570 CA SER A 36 -9.741 -13.272 32.302 1.00 70.31 C ATOM 571 C SER A 36 -8.680 -12.749 31.337 1.00 1.11 C ATOM 572 O SER A 36 -9.001 -12.184 30.292 1.00 2.44 O ATOM 573 CB SER A 36 -9.716 -14.801 32.327 1.00 53.15 C ATOM 574 OG SER A 36 -10.616 -15.310 33.296 1.00 41.34 O ATOM 0 H SER A 36 -11.739 -13.536 31.723 1.00 32.24 H new ATOM 0 HA SER A 36 -9.514 -12.894 33.299 1.00 70.31 H new ATOM 0 HB2 SER A 36 -9.979 -15.188 31.343 1.00 53.15 H new ATOM 0 HB3 SER A 36 -8.706 -15.148 32.546 1.00 53.15 H new ATOM 0 HG SER A 36 -11.464 -14.821 33.244 1.00 41.34 H new ATOM 580 N LYS A 37 -7.414 -12.938 31.698 1.00 42.00 N ATOM 581 CA LYS A 37 -6.304 -12.483 30.867 1.00 52.25 C ATOM 582 C LYS A 37 -6.337 -13.149 29.496 1.00 52.31 C ATOM 583 O LYS A 37 -5.975 -12.540 28.490 1.00 14.05 O ATOM 584 CB LYS A 37 -4.968 -12.773 31.553 1.00 71.22 C ATOM 585 CG LYS A 37 -4.576 -11.725 32.582 1.00 2.54 C ATOM 586 CD LYS A 37 -3.257 -12.066 33.256 1.00 32.52 C ATOM 587 CE LYS A 37 -2.740 -10.904 34.091 1.00 55.32 C ATOM 588 NZ LYS A 37 -2.635 -11.258 35.535 1.00 43.10 N ATOM 0 H LYS A 37 -7.131 -13.403 32.561 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.409 -11.407 30.731 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -5.022 -13.747 32.040 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.186 -12.838 30.796 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.497 -10.752 32.098 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.359 -11.644 33.335 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -3.388 -12.942 33.891 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.518 -12.329 32.499 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -1.762 -10.598 33.720 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.406 -10.049 33.975 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.864 -10.713 35.971 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -3.531 -11.033 36.014 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -2.437 -12.275 35.630 1.00 43.10 H new ATOM 602 N GLU A 38 -6.771 -14.405 29.464 1.00 41.40 N ATOM 603 CA GLU A 38 -6.848 -15.154 28.216 1.00 54.20 C ATOM 604 C GLU A 38 -7.811 -14.490 27.237 1.00 31.43 C ATOM 605 O GLU A 38 -7.478 -14.284 26.069 1.00 60.21 O ATOM 606 CB GLU A 38 -7.288 -16.594 28.489 1.00 41.40 C ATOM 607 CG GLU A 38 -6.311 -17.635 27.967 1.00 62.41 C ATOM 608 CD GLU A 38 -5.621 -18.398 29.081 1.00 30.14 C ATOM 609 OE1 GLU A 38 -6.232 -18.558 30.159 1.00 72.33 O ATOM 610 OE2 GLU A 38 -4.469 -18.834 28.876 1.00 54.15 O ATOM 0 H GLU A 38 -7.074 -14.925 30.288 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.855 -15.163 27.766 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.412 -16.730 29.563 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.263 -16.761 28.032 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -6.843 -18.338 27.326 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.560 -17.145 27.348 1.00 62.41 H new ATOM 617 N ALA A 39 -9.002 -14.150 27.718 1.00 51.41 N ATOM 618 CA ALA A 39 -10.006 -13.502 26.883 1.00 63.44 C ATOM 619 C ALA A 39 -9.561 -12.098 26.499 1.00 13.12 C ATOM 620 O ALA A 39 -9.810 -11.637 25.385 1.00 44.04 O ATOM 621 CB ALA A 39 -11.345 -13.457 27.604 1.00 12.31 C ATOM 0 H ALA A 39 -9.295 -14.312 28.681 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.122 -14.085 25.970 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.084 -12.970 26.968 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.672 -14.472 27.829 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.240 -12.896 28.533 1.00 12.31 H new ATOM 627 N TRP A 40 -8.894 -11.424 27.431 1.00 21.45 N ATOM 628 CA TRP A 40 -8.405 -10.073 27.193 1.00 64.40 C ATOM 629 C TRP A 40 -7.397 -10.061 26.049 1.00 11.24 C ATOM 630 O TRP A 40 -7.396 -9.152 25.220 1.00 3.30 O ATOM 631 CB TRP A 40 -7.763 -9.510 28.462 1.00 22.34 C ATOM 632 CG TRP A 40 -7.475 -8.042 28.386 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.254 -7.438 28.482 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.430 -6.992 28.197 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.392 -6.075 28.368 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.718 -5.777 28.192 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.816 -6.962 28.033 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.350 -4.545 28.028 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.441 -5.740 27.871 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.707 -4.547 27.869 1.00 72.40 C ATOM 0 H TRP A 40 -8.680 -11.793 28.358 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.252 -9.446 26.917 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.423 -9.699 29.308 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.834 -10.045 28.657 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.317 -7.955 28.626 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.632 -5.396 28.408 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.390 -7.877 28.033 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.788 -3.623 28.027 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.513 -5.704 27.744 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.225 -3.608 27.739 1.00 72.40 H new ATOM 651 N ALA A 41 -6.546 -11.079 26.010 1.00 22.20 N ATOM 652 CA ALA A 41 -5.535 -11.189 24.966 1.00 53.14 C ATOM 653 C ALA A 41 -6.181 -11.297 23.590 1.00 42.33 C ATOM 654 O ALA A 41 -5.583 -10.923 22.582 1.00 53.05 O ATOM 655 CB ALA A 41 -4.635 -12.388 25.226 1.00 23.01 C ATOM 0 H ALA A 41 -6.536 -11.840 26.689 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.927 -10.284 24.984 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.885 -12.457 24.438 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.139 -12.269 26.189 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.235 -13.298 25.237 1.00 23.01 H new ATOM 661 N GLN A 42 -7.413 -11.796 23.557 1.00 45.32 N ATOM 662 CA GLN A 42 -8.141 -11.935 22.306 1.00 24.31 C ATOM 663 C GLN A 42 -8.786 -10.607 21.929 1.00 23.11 C ATOM 664 O GLN A 42 -8.938 -10.290 20.749 1.00 73.11 O ATOM 665 CB GLN A 42 -9.200 -13.030 22.425 1.00 64.34 C ATOM 666 CG GLN A 42 -8.655 -14.333 22.987 1.00 12.21 C ATOM 667 CD GLN A 42 -9.352 -15.553 22.418 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.682 -15.598 21.233 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.579 -16.553 23.262 1.00 44.42 N ATOM 0 H GLN A 42 -7.925 -12.109 24.382 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.441 -12.220 21.521 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.009 -12.676 23.065 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.631 -13.218 21.442 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.588 -14.397 22.774 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.764 -14.330 24.071 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -9.289 -16.474 24.237 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -10.044 -17.400 22.936 1.00 44.42 H new ATOM 678 N TRP A 43 -9.146 -9.825 22.943 1.00 55.12 N ATOM 679 CA TRP A 43 -9.750 -8.521 22.720 1.00 54.33 C ATOM 680 C TRP A 43 -8.692 -7.537 22.232 1.00 32.20 C ATOM 681 O TRP A 43 -8.890 -6.840 21.241 1.00 45.45 O ATOM 682 CB TRP A 43 -10.404 -8.006 24.009 1.00 21.24 C ATOM 683 CG TRP A 43 -10.517 -6.511 24.072 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.908 -5.684 24.969 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.271 -5.668 23.195 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.246 -4.378 24.714 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.081 -4.341 23.627 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.092 -5.905 22.089 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.681 -3.258 22.991 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.686 -4.829 21.458 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.477 -3.520 21.911 1.00 23.41 C ATOM 0 H TRP A 43 -9.029 -10.074 23.925 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.523 -8.616 21.958 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.399 -8.441 24.100 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.825 -8.354 24.864 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.254 -6.009 25.765 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -9.928 -3.568 25.246 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.259 -6.911 21.734 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.523 -2.248 23.338 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.322 -5.000 20.602 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -12.955 -2.700 21.396 1.00 23.41 H new ATOM 702 N GLN A 44 -7.564 -7.497 22.938 1.00 51.52 N ATOM 703 CA GLN A 44 -6.465 -6.607 22.577 1.00 3.30 C ATOM 704 C GLN A 44 -6.132 -6.741 21.094 1.00 74.45 C ATOM 705 O GLN A 44 -5.794 -5.764 20.429 1.00 32.54 O ATOM 706 CB GLN A 44 -5.227 -6.916 23.425 1.00 73.54 C ATOM 707 CG GLN A 44 -5.475 -6.832 24.922 1.00 4.42 C ATOM 708 CD GLN A 44 -5.296 -5.429 25.468 1.00 41.44 C ATOM 709 OE1 GLN A 44 -4.281 -5.118 26.092 1.00 2.02 O ATOM 710 NE2 GLN A 44 -6.286 -4.574 25.239 1.00 2.33 N ATOM 0 H GLN A 44 -7.388 -8.071 23.763 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.777 -5.581 22.772 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.871 -7.917 23.180 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.432 -6.220 23.158 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.487 -7.175 25.138 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.792 -7.508 25.437 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -7.109 -4.875 24.717 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -6.223 -3.617 25.585 1.00 2.33 H new ATOM 719 N HIS A 45 -6.238 -7.965 20.586 1.00 5.13 N ATOM 720 CA HIS A 45 -5.960 -8.243 19.183 1.00 12.51 C ATOM 721 C HIS A 45 -7.015 -7.594 18.290 1.00 52.13 C ATOM 722 O HIS A 45 -6.699 -7.050 17.232 1.00 22.04 O ATOM 723 CB HIS A 45 -5.920 -9.757 18.948 1.00 61.45 C ATOM 724 CG HIS A 45 -5.961 -10.155 17.502 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.830 -10.398 16.754 1.00 20.33 N ATOM 726 CD2 HIS A 45 -7.010 -10.359 16.671 1.00 31.41 C ATOM 727 CE1 HIS A 45 -5.178 -10.733 15.525 1.00 42.21 C ATOM 728 NE2 HIS A 45 -6.496 -10.717 15.449 1.00 45.21 N ATOM 0 H HIS A 45 -6.516 -8.783 21.129 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.988 -7.820 18.928 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -5.013 -10.160 19.399 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.763 -10.216 19.464 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -8.056 -10.259 16.922 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.501 -10.978 14.720 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -7.044 -10.935 14.617 1.00 45.21 H new ATOM 736 N LYS A 46 -8.267 -7.652 18.728 1.00 55.53 N ATOM 737 CA LYS A 46 -9.370 -7.064 17.977 1.00 40.11 C ATOM 738 C LYS A 46 -9.486 -5.569 18.269 1.00 73.41 C ATOM 739 O LYS A 46 -10.087 -4.819 17.501 1.00 51.20 O ATOM 740 CB LYS A 46 -10.681 -7.774 18.319 1.00 2.14 C ATOM 741 CG LYS A 46 -11.875 -7.275 17.518 1.00 34.23 C ATOM 742 CD LYS A 46 -12.217 -8.219 16.375 1.00 13.22 C ATOM 743 CE LYS A 46 -13.595 -7.924 15.802 1.00 12.15 C ATOM 744 NZ LYS A 46 -14.192 -9.115 15.135 1.00 74.13 N ATOM 0 H LYS A 46 -8.544 -8.101 19.601 1.00 55.53 H new ATOM 0 HA LYS A 46 -9.168 -7.191 16.913 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.560 -8.843 18.146 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.888 -7.644 19.381 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.738 -7.172 18.176 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.658 -6.284 17.120 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.468 -8.127 15.589 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.182 -9.249 16.730 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -14.255 -7.588 16.602 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.521 -7.106 15.085 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -15.130 -8.869 14.759 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.576 -9.421 14.355 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -14.287 -9.888 15.825 1.00 74.13 H new ATOM 758 N GLN A 47 -8.907 -5.141 19.387 1.00 52.34 N ATOM 759 CA GLN A 47 -8.943 -3.738 19.782 1.00 41.35 C ATOM 760 C GLN A 47 -7.976 -2.912 18.939 1.00 55.42 C ATOM 761 O GLN A 47 -8.349 -1.885 18.373 1.00 61.23 O ATOM 762 CB GLN A 47 -8.591 -3.600 21.266 1.00 50.34 C ATOM 763 CG GLN A 47 -8.585 -2.162 21.760 1.00 75.45 C ATOM 764 CD GLN A 47 -7.368 -1.834 22.604 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.370 -1.321 22.100 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.447 -2.128 23.896 1.00 24.34 N ATOM 0 H GLN A 47 -8.406 -5.748 20.036 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.953 -3.362 19.616 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.306 -4.175 21.855 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.609 -4.039 21.440 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.619 -1.489 20.904 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.487 -1.980 22.345 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -8.295 -2.553 24.271 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.660 -1.929 24.513 1.00 24.34 H new ATOM 775 N THR A 48 -6.728 -3.362 18.876 1.00 2.31 N ATOM 776 CA THR A 48 -5.694 -2.662 18.120 1.00 41.14 C ATOM 777 C THR A 48 -6.087 -2.473 16.654 1.00 32.32 C ATOM 778 O THR A 48 -5.722 -1.474 16.034 1.00 11.51 O ATOM 779 CB THR A 48 -4.365 -3.419 18.212 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.308 -2.651 17.662 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.378 -4.754 17.500 1.00 22.44 C ATOM 0 H THR A 48 -6.406 -4.211 19.341 1.00 2.31 H new ATOM 0 HA THR A 48 -5.580 -1.673 18.563 1.00 41.14 H new ATOM 0 HB THR A 48 -4.214 -3.597 19.277 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.469 -3.152 17.732 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.405 -5.233 17.607 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.146 -5.392 17.937 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.592 -4.600 16.442 1.00 22.44 H new ATOM 789 N MET A 49 -6.823 -3.431 16.099 1.00 63.31 N ATOM 790 CA MET A 49 -7.245 -3.349 14.703 1.00 24.21 C ATOM 791 C MET A 49 -8.471 -2.457 14.546 1.00 40.42 C ATOM 792 O MET A 49 -8.586 -1.713 13.572 1.00 5.35 O ATOM 793 CB MET A 49 -7.535 -4.743 14.141 1.00 25.43 C ATOM 794 CG MET A 49 -8.451 -5.576 15.021 1.00 13.45 C ATOM 795 SD MET A 49 -9.966 -6.077 14.181 1.00 74.20 S ATOM 796 CE MET A 49 -9.298 -6.915 12.746 1.00 41.13 C ATOM 0 H MET A 49 -7.138 -4.268 16.590 1.00 63.31 H new ATOM 0 HA MET A 49 -6.425 -2.905 14.138 1.00 24.21 H new ATOM 0 HB2 MET A 49 -7.987 -4.641 13.155 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.593 -5.274 14.006 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.916 -6.465 15.355 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.708 -5.005 15.913 1.00 13.45 H new ATOM 0 HE1 MET A 49 -9.959 -7.734 12.462 1.00 41.13 H new ATOM 0 HE2 MET A 49 -9.217 -6.211 11.918 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.311 -7.311 12.983 1.00 41.13 H new ATOM 806 N LEU A 50 -9.385 -2.532 15.507 1.00 10.12 N ATOM 807 CA LEU A 50 -10.596 -1.723 15.465 1.00 72.50 C ATOM 808 C LEU A 50 -10.247 -0.240 15.456 1.00 24.05 C ATOM 809 O LEU A 50 -10.920 0.563 14.816 1.00 31.33 O ATOM 810 CB LEU A 50 -11.500 -2.047 16.657 1.00 35.02 C ATOM 811 CG LEU A 50 -12.364 -3.299 16.488 1.00 62.32 C ATOM 812 CD1 LEU A 50 -13.082 -3.636 17.785 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.364 -3.107 15.361 1.00 64.03 C ATOM 0 H LEU A 50 -9.311 -3.142 16.321 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.134 -1.959 14.547 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.878 -2.169 17.544 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.153 -1.194 16.841 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.711 -4.133 16.232 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.690 -4.529 17.643 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.348 -3.818 18.570 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.723 -2.803 18.073 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.970 -4.007 15.255 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -14.010 -2.259 15.588 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.831 -2.917 14.430 1.00 64.03 H new ATOM 825 N ILE A 51 -9.181 0.112 16.166 1.00 21.21 N ATOM 826 CA ILE A 51 -8.732 1.497 16.237 1.00 51.32 C ATOM 827 C ILE A 51 -8.058 1.919 14.936 1.00 51.43 C ATOM 828 O ILE A 51 -8.354 2.980 14.387 1.00 23.00 O ATOM 829 CB ILE A 51 -7.755 1.705 17.413 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.427 1.307 18.729 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.274 3.151 17.472 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.517 1.425 19.930 1.00 32.24 C ATOM 0 H ILE A 51 -8.611 -0.544 16.701 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.614 2.116 16.398 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.884 1.068 17.256 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.304 1.935 18.884 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.781 0.279 18.651 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.587 3.272 18.309 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.762 3.402 16.543 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.129 3.814 17.606 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.059 1.127 20.828 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.652 0.776 19.796 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.183 2.457 20.034 1.00 32.24 H new ATOM 844 N ASN A 52 -7.150 1.082 14.451 1.00 53.30 N ATOM 845 CA ASN A 52 -6.431 1.366 13.217 1.00 52.52 C ATOM 846 C ASN A 52 -7.356 1.280 12.006 1.00 23.31 C ATOM 847 O ASN A 52 -7.142 1.959 11.001 1.00 63.50 O ATOM 848 CB ASN A 52 -5.264 0.392 13.056 1.00 74.33 C ATOM 849 CG ASN A 52 -4.034 0.830 13.828 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.783 2.023 13.992 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.260 -0.137 14.306 1.00 75.53 N ATOM 0 H ASN A 52 -6.894 0.200 14.894 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.046 2.384 13.276 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.570 -0.597 13.397 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.013 0.302 11.999 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.419 0.097 14.833 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.507 -1.114 14.146 1.00 75.53 H new ATOM 858 N GLU A 53 -8.384 0.441 12.103 1.00 22.35 N ATOM 859 CA GLU A 53 -9.336 0.272 11.009 1.00 2.12 C ATOM 860 C GLU A 53 -10.419 1.346 11.053 1.00 0.01 C ATOM 861 O GLU A 53 -10.645 2.051 10.069 1.00 44.44 O ATOM 862 CB GLU A 53 -9.978 -1.115 11.062 1.00 54.44 C ATOM 863 CG GLU A 53 -10.658 -1.514 9.762 1.00 72.53 C ATOM 864 CD GLU A 53 -10.778 -3.017 9.603 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.735 -3.702 9.636 1.00 64.12 O ATOM 866 OE2 GLU A 53 -11.916 -3.507 9.442 1.00 3.25 O ATOM 0 H GLU A 53 -8.579 -0.131 12.925 1.00 22.35 H new ATOM 0 HA GLU A 53 -8.786 0.373 10.073 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.213 -1.853 11.305 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.711 -1.138 11.869 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.652 -1.068 9.725 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.095 -1.108 8.922 1.00 72.53 H new ATOM 873 N LYS A 54 -11.084 1.472 12.198 1.00 2.21 N ATOM 874 CA LYS A 54 -12.136 2.470 12.359 1.00 51.31 C ATOM 875 C LYS A 54 -11.537 3.858 12.578 1.00 13.10 C ATOM 876 O LYS A 54 -12.257 4.856 12.613 1.00 20.24 O ATOM 877 CB LYS A 54 -13.057 2.109 13.528 1.00 24.31 C ATOM 878 CG LYS A 54 -13.984 0.937 13.239 1.00 71.11 C ATOM 879 CD LYS A 54 -13.301 -0.400 13.490 1.00 44.52 C ATOM 880 CE LYS A 54 -13.955 -1.514 12.689 1.00 52.22 C ATOM 881 NZ LYS A 54 -12.957 -2.492 12.174 1.00 54.31 N ATOM 0 H LYS A 54 -10.914 0.898 13.024 1.00 2.21 H new ATOM 0 HA LYS A 54 -12.725 2.483 11.442 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.447 1.872 14.399 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.658 2.980 13.788 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.873 1.014 13.865 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.319 0.985 12.203 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.247 -0.328 13.223 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.345 -0.639 14.553 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.681 -2.033 13.315 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -14.506 -1.084 11.853 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -13.311 -3.459 12.320 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -12.804 -2.329 11.158 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -12.058 -2.372 12.683 1.00 54.31 H new ATOM 895 N LYS A 55 -10.213 3.915 12.723 1.00 43.42 N ATOM 896 CA LYS A 55 -9.521 5.178 12.935 1.00 74.11 C ATOM 897 C LYS A 55 -9.972 5.840 14.234 1.00 31.21 C ATOM 898 O LYS A 55 -10.469 6.967 14.228 1.00 5.25 O ATOM 899 CB LYS A 55 -9.760 6.118 11.750 1.00 72.23 C ATOM 900 CG LYS A 55 -9.153 5.618 10.448 1.00 12.00 C ATOM 901 CD LYS A 55 -7.754 6.172 10.236 1.00 1.15 C ATOM 902 CE LYS A 55 -7.732 7.230 9.143 1.00 24.22 C ATOM 903 NZ LYS A 55 -8.596 8.397 9.478 1.00 61.25 N ATOM 0 H LYS A 55 -9.602 3.099 12.697 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.454 4.971 13.014 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -10.833 6.252 11.614 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.343 7.098 11.984 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -9.116 4.529 10.457 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -9.791 5.908 9.613 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -7.387 6.603 11.168 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -7.076 5.360 9.971 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -6.708 7.570 8.988 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -8.067 6.789 8.204 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -8.474 9.137 8.758 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -9.591 8.097 9.501 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -8.326 8.773 10.410 1.00 61.25 H new ATOM 917 N LEU A 56 -9.786 5.138 15.351 1.00 30.41 N ATOM 918 CA LEU A 56 -10.164 5.665 16.654 1.00 52.41 C ATOM 919 C LEU A 56 -9.069 6.587 17.195 1.00 51.14 C ATOM 920 O LEU A 56 -8.118 6.912 16.483 1.00 44.51 O ATOM 921 CB LEU A 56 -10.432 4.509 17.626 1.00 75.54 C ATOM 922 CG LEU A 56 -11.732 3.737 17.370 1.00 34.35 C ATOM 923 CD1 LEU A 56 -11.976 2.718 18.472 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.914 4.689 17.251 1.00 14.14 C ATOM 0 H LEU A 56 -9.376 4.204 15.376 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.077 6.251 16.549 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.596 3.811 17.576 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.456 4.905 18.641 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.628 3.204 16.425 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.903 2.181 18.272 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.147 2.011 18.504 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.053 3.231 19.431 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.824 4.118 17.070 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.019 5.256 18.176 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.746 5.376 16.422 1.00 14.14 H new ATOM 936 N ASN A 57 -9.204 7.011 18.449 1.00 32.03 N ATOM 937 CA ASN A 57 -8.223 7.901 19.069 1.00 20.43 C ATOM 938 C ASN A 57 -8.265 7.778 20.592 1.00 1.23 C ATOM 939 O ASN A 57 -9.118 8.374 21.249 1.00 1.02 O ATOM 940 CB ASN A 57 -8.493 9.350 18.654 1.00 15.31 C ATOM 941 CG ASN A 57 -7.555 9.825 17.561 1.00 61.42 C ATOM 942 OD1 ASN A 57 -7.956 9.978 16.406 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.299 10.062 17.921 1.00 70.12 N ATOM 0 H ASN A 57 -9.982 6.754 19.056 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.230 7.609 18.727 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.523 9.440 18.309 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.390 9.999 19.524 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.622 10.384 17.229 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.011 9.922 18.889 1.00 70.12 H new ATOM 950 N MET A 58 -7.341 6.996 21.146 1.00 5.10 N ATOM 951 CA MET A 58 -7.277 6.784 22.589 1.00 4.22 C ATOM 952 C MET A 58 -6.992 8.081 23.342 1.00 4.32 C ATOM 953 O MET A 58 -7.176 8.152 24.558 1.00 31.45 O ATOM 954 CB MET A 58 -6.219 5.733 22.940 1.00 30.22 C ATOM 955 CG MET A 58 -4.908 5.903 22.187 1.00 34.55 C ATOM 956 SD MET A 58 -4.486 4.464 21.185 1.00 24.45 S ATOM 957 CE MET A 58 -5.944 4.323 20.158 1.00 24.34 C ATOM 0 H MET A 58 -6.626 6.498 20.616 1.00 5.10 H new ATOM 0 HA MET A 58 -8.256 6.421 22.902 1.00 4.22 H new ATOM 0 HB2 MET A 58 -6.020 5.776 24.011 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.622 4.742 22.730 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.975 6.781 21.544 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.106 6.091 22.901 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.818 3.497 19.458 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.815 4.136 20.786 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.089 5.250 19.603 1.00 24.34 H new ATOM 967 N MET A 59 -6.549 9.107 22.623 1.00 1.01 N ATOM 968 CA MET A 59 -6.255 10.392 23.242 1.00 74.53 C ATOM 969 C MET A 59 -7.541 11.182 23.472 1.00 71.54 C ATOM 970 O MET A 59 -7.605 12.042 24.349 1.00 44.32 O ATOM 971 CB MET A 59 -5.292 11.196 22.367 1.00 2.02 C ATOM 972 CG MET A 59 -3.833 11.038 22.765 1.00 24.22 C ATOM 973 SD MET A 59 -3.312 9.312 22.816 1.00 11.43 S ATOM 974 CE MET A 59 -1.665 9.435 22.121 1.00 3.04 C ATOM 0 H MET A 59 -6.387 9.073 21.617 1.00 1.01 H new ATOM 0 HA MET A 59 -5.782 10.209 24.207 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.413 10.886 21.329 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.562 12.251 22.418 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.206 11.582 22.058 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.676 11.490 23.744 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.210 8.445 22.086 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.725 9.842 21.112 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.056 10.092 22.742 1.00 3.04 H new ATOM 984 N ASN A 60 -8.565 10.875 22.680 1.00 72.24 N ATOM 985 CA ASN A 60 -9.853 11.546 22.799 1.00 13.25 C ATOM 986 C ASN A 60 -10.879 10.628 23.457 1.00 2.34 C ATOM 987 O ASN A 60 -11.063 9.486 23.034 1.00 73.54 O ATOM 988 CB ASN A 60 -10.352 11.982 21.420 1.00 54.23 C ATOM 989 CG ASN A 60 -10.888 13.399 21.420 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.353 14.279 22.095 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.954 13.627 20.662 1.00 43.22 N ATOM 0 H ASN A 60 -8.526 10.165 21.949 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.723 12.428 23.426 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.537 11.905 20.701 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.135 11.300 21.088 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.362 14.561 20.623 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.365 12.868 20.119 1.00 43.22 H new ATOM 998 N ALA A 61 -11.540 11.129 24.495 1.00 10.14 N ATOM 999 CA ALA A 61 -12.542 10.347 25.208 1.00 75.00 C ATOM 1000 C ALA A 61 -13.682 9.934 24.284 1.00 54.22 C ATOM 1001 O ALA A 61 -14.325 8.905 24.496 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.078 11.135 26.392 1.00 34.33 C ATOM 0 H ALA A 61 -11.400 12.071 24.860 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.064 9.439 25.574 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.826 10.540 26.916 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.260 11.371 27.072 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.533 12.060 26.037 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.927 10.739 23.254 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.988 10.455 22.295 1.00 72.21 C ATOM 1010 C GLU A 62 -14.813 9.066 21.692 1.00 14.54 C ATOM 1011 O GLU A 62 -15.770 8.300 21.579 1.00 50.50 O ATOM 1012 CB GLU A 62 -14.996 11.505 21.184 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.310 11.577 20.427 1.00 22.12 C ATOM 1014 CD GLU A 62 -17.168 12.749 20.862 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.608 13.838 21.107 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -18.402 12.577 20.959 1.00 50.21 O ATOM 0 H GLU A 62 -13.404 11.594 23.063 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.941 10.489 22.824 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.782 12.482 21.617 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.193 11.285 20.481 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.106 11.657 19.359 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -16.863 10.650 20.578 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.581 8.745 21.317 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.278 7.445 20.739 1.00 60.41 C ATOM 1025 C HIS A 63 -13.016 6.421 21.836 1.00 12.50 C ATOM 1026 O HIS A 63 -13.362 5.248 21.701 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.066 7.538 19.816 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.342 8.251 18.530 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.416 8.353 17.516 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.449 8.898 18.091 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.934 9.031 16.510 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.168 9.373 16.833 1.00 33.54 N ATOM 0 H HIS A 63 -12.777 9.367 21.403 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.141 7.123 20.155 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.260 8.052 20.340 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.711 6.531 19.594 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.378 9.018 18.629 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.435 9.266 15.582 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.809 9.904 16.244 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.405 6.878 22.926 1.00 13.31 N ATOM 1041 CA ARG A 64 -12.097 6.007 24.056 1.00 25.03 C ATOM 1042 C ARG A 64 -13.350 5.263 24.506 1.00 71.40 C ATOM 1043 O ARG A 64 -13.336 4.044 24.674 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.536 6.827 25.219 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.461 6.103 26.011 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.123 6.151 25.297 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.862 4.932 24.535 1.00 14.00 N ATOM 1048 CZ ARG A 64 -8.274 3.851 25.042 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.926 3.812 26.321 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -8.037 2.804 24.264 1.00 33.54 N ATOM 0 H ARG A 64 -12.113 7.847 23.050 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.348 5.281 23.740 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.124 7.758 24.830 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.352 7.095 25.890 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.366 6.557 26.997 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.756 5.065 26.165 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.102 7.009 24.625 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.328 6.298 26.028 1.00 61.24 H new ATOM 0 HE ARG A 64 -9.147 4.908 23.556 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.109 4.614 26.924 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.476 2.980 26.702 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -8.305 2.829 23.280 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -7.587 1.974 24.649 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.434 6.011 24.690 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.702 5.430 25.110 1.00 31.33 C ATOM 1066 C LYS A 65 -16.226 4.469 24.050 1.00 61.24 C ATOM 1067 O LYS A 65 -16.902 3.489 24.365 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.732 6.530 25.379 1.00 52.43 C ATOM 1069 CG LYS A 65 -17.092 7.347 24.145 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.555 7.176 23.763 1.00 51.14 C ATOM 1071 CE LYS A 65 -19.084 8.394 23.024 1.00 42.14 C ATOM 1072 NZ LYS A 65 -20.504 8.218 22.611 1.00 60.30 N ATOM 0 H LYS A 65 -14.458 7.022 24.554 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.535 4.874 26.033 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.638 6.077 25.781 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.343 7.199 26.146 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.886 8.401 24.334 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.460 7.043 23.310 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.667 6.292 23.136 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -19.149 7.008 24.661 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.998 9.273 23.663 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -18.470 8.579 22.143 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -20.828 9.070 22.110 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.583 7.395 21.980 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -21.094 8.066 23.454 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.903 4.752 22.790 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.335 3.908 21.684 1.00 65.44 C ATOM 1088 C LEU A 66 -15.754 2.506 21.827 1.00 64.34 C ATOM 1089 O LEU A 66 -16.458 1.513 21.653 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.915 4.519 20.345 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.890 4.274 19.189 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.692 5.531 18.885 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.144 3.807 17.948 1.00 64.02 C ATOM 0 H LEU A 66 -15.344 5.559 22.512 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.423 3.841 21.709 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.792 5.594 20.476 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.940 4.118 20.069 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.583 3.489 19.491 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.378 5.335 18.061 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.260 5.823 19.768 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -17.013 6.337 18.608 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.854 3.639 17.138 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.425 4.569 17.647 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.618 2.878 18.168 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.465 2.426 22.156 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.808 1.136 22.331 1.00 22.20 C ATOM 1107 C LEU A 67 -14.529 0.321 23.397 1.00 1.33 C ATOM 1108 O LEU A 67 -14.735 -0.883 23.243 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.336 1.321 22.722 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.308 1.040 21.617 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.950 0.749 22.229 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.744 -0.121 20.732 1.00 25.32 C ATOM 0 H LEU A 67 -13.861 3.234 22.305 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.848 0.601 21.382 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.198 2.345 23.068 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.120 0.668 23.567 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.238 1.930 20.991 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.229 0.551 21.436 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.622 1.610 22.812 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -10.023 -0.123 22.879 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.993 -0.292 19.961 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.853 -1.020 21.339 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.698 0.118 20.263 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.925 0.993 24.475 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.640 0.338 25.562 1.00 31.11 C ATOM 1126 C GLU A 68 -16.883 -0.374 25.028 1.00 33.44 C ATOM 1127 O GLU A 68 -17.395 -1.306 25.650 1.00 63.34 O ATOM 1128 CB GLU A 68 -16.015 1.366 26.637 1.00 31.53 C ATOM 1129 CG GLU A 68 -17.034 0.867 27.651 1.00 52.31 C ATOM 1130 CD GLU A 68 -18.388 1.533 27.497 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -19.057 1.286 26.472 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -18.776 2.303 28.401 1.00 41.25 O ATOM 0 H GLU A 68 -14.762 1.990 24.617 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.991 -0.412 26.014 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -15.111 1.668 27.166 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.411 2.257 26.149 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -17.150 -0.211 27.543 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -16.657 1.048 28.658 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.356 0.068 23.864 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.528 -0.524 23.232 1.00 31.33 C ATOM 1141 C GLN A 69 -18.166 -1.814 22.504 1.00 54.04 C ATOM 1142 O GLN A 69 -18.826 -2.840 22.670 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.146 0.463 22.237 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.446 -0.029 21.623 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.631 0.133 22.556 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.633 1.000 23.430 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -22.645 -0.705 22.376 1.00 70.13 N ATOM 0 H GLN A 69 -16.941 0.838 23.339 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.249 -0.755 24.016 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -19.329 1.411 22.743 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.429 0.660 21.440 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.638 0.519 20.700 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.341 -1.080 21.354 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -22.601 -1.408 21.639 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -23.468 -0.645 22.975 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.121 -1.749 21.686 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.673 -2.904 20.915 1.00 33.15 C ATOM 1158 C GLU A 70 -16.231 -4.048 21.822 1.00 4.01 C ATOM 1159 O GLU A 70 -16.524 -5.213 21.551 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.525 -2.507 19.984 1.00 60.04 C ATOM 1161 CG GLU A 70 -15.819 -1.284 19.127 1.00 12.23 C ATOM 1162 CD GLU A 70 -16.605 -1.621 17.875 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -16.028 -2.252 16.965 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -17.796 -1.251 17.803 1.00 42.42 O ATOM 0 H GLU A 70 -16.566 -0.906 21.539 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.519 -3.251 20.321 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.635 -2.313 20.583 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.293 -3.348 19.331 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.378 -0.558 19.717 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -14.879 -0.809 18.844 1.00 12.23 H new ATOM 1171 N MET A 71 -15.518 -3.719 22.895 1.00 72.11 N ATOM 1172 CA MET A 71 -15.036 -4.735 23.824 1.00 42.11 C ATOM 1173 C MET A 71 -16.189 -5.594 24.346 1.00 0.22 C ATOM 1174 O MET A 71 -16.014 -6.783 24.609 1.00 15.12 O ATOM 1175 CB MET A 71 -14.261 -4.087 24.978 1.00 44.14 C ATOM 1176 CG MET A 71 -15.117 -3.690 26.172 1.00 2.34 C ATOM 1177 SD MET A 71 -14.276 -2.530 27.260 1.00 23.31 S ATOM 1178 CE MET A 71 -12.685 -3.330 27.437 1.00 23.35 C ATOM 0 H MET A 71 -15.263 -2.763 23.142 1.00 72.11 H new ATOM 0 HA MET A 71 -14.353 -5.392 23.285 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.490 -4.780 25.315 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.751 -3.200 24.603 1.00 44.14 H new ATOM 0 HG2 MET A 71 -16.046 -3.244 25.818 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.387 -4.583 26.736 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.092 -2.799 28.181 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.830 -4.362 27.757 1.00 23.35 H new ATOM 0 HE3 MET A 71 -12.163 -3.317 26.480 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.369 -4.991 24.477 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.545 -5.719 24.950 1.00 11.44 C ATOM 1190 C VAL A 72 -18.957 -6.781 23.939 1.00 55.10 C ATOM 1191 O VAL A 72 -18.942 -7.973 24.233 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.745 -4.780 25.199 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.953 -5.561 25.709 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.368 -3.678 26.175 1.00 54.21 C ATOM 0 H VAL A 72 -17.536 -4.008 24.264 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.267 -6.187 25.895 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.017 -4.320 24.249 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.785 -4.876 25.876 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.241 -6.308 24.970 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.697 -6.057 26.645 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.227 -3.027 26.338 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.063 -4.120 27.123 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.543 -3.095 25.765 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.318 -6.337 22.739 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.731 -7.248 21.674 1.00 33.53 C ATOM 1206 C ASN A 73 -18.707 -8.366 21.476 1.00 45.13 C ATOM 1207 O ASN A 73 -19.014 -9.405 20.891 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.927 -6.479 20.366 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.591 -7.321 19.295 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -19.822 -8.217 18.687 1.00 4.54 O flip ATOM 1211 ND2 ASN A 73 -21.780 -7.169 19.016 1.00 43.31 N flip ATOM 0 H ASN A 73 -19.333 -5.351 22.478 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.678 -7.702 21.967 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.533 -5.593 20.556 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.960 -6.132 20.003 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -22.334 -6.468 19.509 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -22.212 -7.744 18.292 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.489 -8.149 21.963 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.432 -9.141 21.840 1.00 43.41 C ATOM 1220 C PHE A 74 -16.337 -10.013 23.092 1.00 53.44 C ATOM 1221 O PHE A 74 -16.317 -11.238 23.002 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.091 -8.451 21.589 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.068 -9.345 20.952 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.156 -9.672 19.608 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -13.019 -9.859 21.696 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -13.216 -10.498 19.020 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -12.077 -10.685 21.114 1.00 32.35 C ATOM 1228 CZ PHE A 74 -12.176 -11.005 19.773 1.00 14.42 C ATOM 0 H PHE A 74 -17.212 -7.294 22.446 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.675 -9.785 20.995 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.252 -7.583 20.950 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.699 -8.081 22.536 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -14.967 -9.278 19.014 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -12.936 -9.611 22.744 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -13.295 -10.746 17.972 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -11.265 -11.080 21.706 1.00 32.35 H new ATOM 0 HZ PHE A 74 -11.441 -11.650 19.315 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.253 -9.373 24.255 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.129 -10.097 25.520 1.00 13.42 C ATOM 1240 C LEU A 75 -17.438 -10.140 26.311 1.00 31.53 C ATOM 1241 O LEU A 75 -17.820 -11.188 26.830 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.040 -9.452 26.378 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.737 -9.137 25.639 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.186 -7.784 26.071 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.711 -10.239 25.871 1.00 74.13 C ATOM 0 H LEU A 75 -16.268 -8.358 24.349 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.865 -11.125 25.273 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.432 -8.528 26.802 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.815 -10.116 27.213 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.951 -9.089 24.571 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.260 -7.580 25.534 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.915 -7.006 25.846 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.988 -7.797 27.143 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.791 -9.998 25.338 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.501 -10.322 26.937 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.105 -11.186 25.504 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.113 -8.999 26.414 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.368 -8.915 27.166 1.00 61.03 C ATOM 1259 C PHE A 76 -20.583 -9.061 26.266 1.00 53.21 C ATOM 1260 O PHE A 76 -21.649 -8.517 26.554 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.471 -7.587 27.880 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.354 -7.324 28.837 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -18.059 -8.229 29.842 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.603 -6.168 28.734 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -17.032 -7.983 30.729 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.574 -5.917 29.616 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.290 -6.826 30.615 1.00 10.35 C ATOM 0 H PHE A 76 -17.816 -8.121 25.989 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.355 -9.736 27.883 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.496 -6.788 27.139 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.416 -7.549 28.421 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.638 -9.136 29.932 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.825 -5.454 27.954 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.809 -8.694 31.511 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.992 -5.012 29.526 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.485 -6.631 31.309 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.413 -9.774 25.178 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.492 -9.983 24.220 1.00 1.24 C ATOM 1279 C GLU A 77 -22.587 -10.869 24.806 1.00 64.35 C ATOM 1280 O GLU A 77 -22.914 -11.920 24.252 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.954 -10.610 22.935 1.00 71.23 C ATOM 1282 CG GLU A 77 -19.988 -11.763 23.175 1.00 55.43 C ATOM 1283 CD GLU A 77 -20.464 -13.074 22.577 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.596 -13.113 22.048 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -19.706 -14.063 22.638 1.00 31.00 O ATOM 0 H GLU A 77 -19.534 -10.225 24.926 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.922 -9.008 23.990 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -21.792 -10.968 22.337 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.450 -9.841 22.349 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -19.016 -11.509 22.751 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -19.844 -11.891 24.248 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.156 -10.440 25.924 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.209 -11.207 26.556 1.00 62.55 C ATOM 1294 C GLY A 78 -24.298 -10.962 28.048 1.00 72.21 C ATOM 1295 O GLY A 78 -25.338 -11.200 28.660 1.00 64.15 O ATOM 0 H GLY A 78 -22.907 -9.575 26.404 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.163 -10.955 26.093 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -24.037 -12.268 26.376 1.00 62.55 H new