USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 MET CE :methyl 160:sc= -6.42! (180deg=-8.04!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.114 X(o=-0.12,f=-0.051) USER MOD Set 2.2: A 49 MET CE :methyl -154:sc=-0.00917 (180deg=-0.572) USER MOD Single : A 5 THR OG1 : rot 33:sc= 0.367 USER MOD Single : A 8 CYS SG : rot 9:sc= -1.48 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.0031) USER MOD Single : A 18 GLN : amide:sc= -4.76! C(o=-4.8!,f=-8.4!) USER MOD Single : A 21 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.21 X(o=0.21,f=-0.00098) USER MOD Single : A 36 SER OG : rot -120:sc= -0.396 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.8 K(o=-0.8,f=-3.4!) USER MOD Single : A 44 GLN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.053) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.0671 X(o=0.067,f=-0.027) USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= -2.25! (180deg=-5.29!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.58) USER MOD Single : A 58 MET CE :methyl -170:sc= -12.2! (180deg=-12.6!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.67 K(o=-4.7,f=-14!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0774 X(o=-0.077,f=-0.18) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.912 -18.638 40.815 1.00 61.43 N ATOM 63 CA THR A 5 -9.439 -19.142 39.552 1.00 75.42 C ATOM 64 C THR A 5 -10.855 -18.631 39.309 1.00 53.15 C ATOM 65 O THR A 5 -11.827 -19.203 39.802 1.00 32.22 O ATOM 66 CB THR A 5 -9.425 -20.671 39.536 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.231 -21.169 40.114 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.541 -21.255 38.144 1.00 34.41 C ATOM 0 HA THR A 5 -8.797 -18.775 38.751 1.00 75.42 H new ATOM 0 HB THR A 5 -10.298 -20.974 40.114 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.940 -20.569 40.832 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.525 -22.343 38.203 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.477 -20.930 37.690 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.705 -20.912 37.535 1.00 34.41 H new ATOM 76 N ILE A 6 -10.962 -17.550 38.545 1.00 1.53 N ATOM 77 CA ILE A 6 -12.255 -16.956 38.232 1.00 33.41 C ATOM 78 C ILE A 6 -12.958 -17.724 37.119 1.00 11.10 C ATOM 79 O ILE A 6 -12.448 -18.730 36.624 1.00 72.21 O ATOM 80 CB ILE A 6 -12.103 -15.481 37.797 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.372 -15.387 36.451 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.361 -14.686 38.863 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.544 -14.053 35.760 1.00 23.21 C ATOM 0 H ILE A 6 -10.166 -17.066 38.130 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.854 -17.005 39.142 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.099 -15.054 37.677 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.309 -15.570 36.611 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.736 -16.177 35.794 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.262 -13.649 38.541 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.918 -14.724 39.799 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.370 -15.115 39.013 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.000 -14.060 34.815 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.602 -13.876 35.568 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.154 -13.260 36.398 1.00 23.21 H new ATOM 95 N PHE A 7 -14.117 -17.223 36.712 1.00 13.34 N ATOM 96 CA PHE A 7 -14.883 -17.837 35.637 1.00 50.22 C ATOM 97 C PHE A 7 -15.109 -16.826 34.523 1.00 42.14 C ATOM 98 O PHE A 7 -15.994 -15.974 34.614 1.00 72.41 O ATOM 99 CB PHE A 7 -16.224 -18.365 36.149 1.00 50.24 C ATOM 100 CG PHE A 7 -16.879 -19.333 35.204 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.433 -20.642 35.114 1.00 40.51 C ATOM 102 CD2 PHE A 7 -17.935 -18.931 34.402 1.00 13.11 C ATOM 103 CE1 PHE A 7 -17.029 -21.533 34.243 1.00 31.12 C ATOM 104 CE2 PHE A 7 -18.535 -19.818 33.528 1.00 14.44 C ATOM 105 CZ PHE A 7 -18.082 -21.121 33.448 1.00 21.53 C ATOM 0 H PHE A 7 -14.548 -16.390 37.112 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.314 -18.682 35.248 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.071 -18.854 37.111 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.896 -17.524 36.322 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.610 -20.969 35.732 1.00 40.51 H new ATOM 0 HD2 PHE A 7 -18.293 -17.914 34.460 1.00 13.11 H new ATOM 0 HE1 PHE A 7 -16.673 -22.551 34.183 1.00 31.12 H new ATOM 0 HE2 PHE A 7 -19.357 -19.493 32.908 1.00 14.44 H new ATOM 0 HZ PHE A 7 -18.550 -21.816 32.766 1.00 21.53 H new ATOM 115 N CYS A 8 -14.292 -16.911 33.479 1.00 31.32 N ATOM 116 CA CYS A 8 -14.394 -15.991 32.356 1.00 54.41 C ATOM 117 C CYS A 8 -15.776 -16.060 31.709 1.00 65.22 C ATOM 118 O CYS A 8 -16.416 -17.112 31.702 1.00 34.32 O ATOM 119 CB CYS A 8 -13.315 -16.303 31.318 1.00 24.25 C ATOM 120 SG CYS A 8 -13.143 -15.042 30.032 1.00 51.15 S ATOM 0 H CYS A 8 -13.553 -17.608 33.388 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.246 -14.980 32.735 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.359 -16.420 31.827 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.544 -17.259 30.847 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.857 -14.002 30.346 1.00 51.15 H new ATOM 126 N THR A 9 -16.226 -14.933 31.164 1.00 52.25 N ATOM 127 CA THR A 9 -17.528 -14.867 30.509 1.00 12.21 C ATOM 128 C THR A 9 -17.377 -14.995 28.996 1.00 43.22 C ATOM 129 O THR A 9 -18.291 -15.447 28.306 1.00 73.23 O ATOM 130 CB THR A 9 -18.236 -13.557 30.857 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.567 -13.562 30.374 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.547 -12.336 30.288 1.00 1.45 C ATOM 0 H THR A 9 -15.708 -14.054 31.163 1.00 52.25 H new ATOM 0 HA THR A 9 -18.133 -15.699 30.869 1.00 12.21 H new ATOM 0 HB THR A 9 -18.211 -13.496 31.945 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.003 -12.716 30.608 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.100 -11.441 30.572 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.532 -12.275 30.681 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.512 -12.411 29.201 1.00 1.45 H new ATOM 140 N PHE A 10 -16.212 -14.601 28.487 1.00 65.32 N ATOM 141 CA PHE A 10 -15.938 -14.680 27.058 1.00 62.40 C ATOM 142 C PHE A 10 -15.682 -16.128 26.654 1.00 73.04 C ATOM 143 O PHE A 10 -16.174 -16.596 25.628 1.00 1.33 O ATOM 144 CB PHE A 10 -14.730 -13.812 26.699 1.00 25.33 C ATOM 145 CG PHE A 10 -14.298 -13.945 25.265 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.067 -13.412 24.243 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.123 -14.601 24.942 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.672 -13.532 22.925 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.721 -14.725 23.627 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.496 -14.188 22.616 1.00 24.22 C ATOM 0 H PHE A 10 -15.445 -14.225 29.044 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.807 -14.309 26.514 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.970 -12.768 26.902 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.896 -14.079 27.347 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.986 -12.897 24.480 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.513 -15.021 25.728 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.281 -13.114 22.137 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.803 -15.241 23.389 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.183 -14.281 21.587 1.00 24.22 H new ATOM 160 N LEU A 11 -14.919 -16.834 27.483 1.00 73.11 N ATOM 161 CA LEU A 11 -14.603 -18.235 27.234 1.00 31.00 C ATOM 162 C LEU A 11 -15.628 -19.138 27.907 1.00 73.10 C ATOM 163 O LEU A 11 -15.759 -20.313 27.561 1.00 62.15 O ATOM 164 CB LEU A 11 -13.201 -18.578 27.749 1.00 1.01 C ATOM 165 CG LEU A 11 -12.159 -17.463 27.625 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.210 -17.488 28.814 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.386 -17.597 26.318 1.00 2.01 C ATOM 0 H LEU A 11 -14.507 -16.456 28.336 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.631 -18.399 26.157 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.279 -18.863 28.798 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -12.838 -19.452 27.207 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.678 -16.504 27.619 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.476 -16.689 28.710 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.776 -17.343 29.734 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.698 -18.449 28.850 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.650 -16.796 26.247 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -10.877 -18.561 26.293 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.077 -17.530 25.478 1.00 2.01 H new ATOM 179 N GLN A 12 -16.348 -18.584 28.878 1.00 23.53 N ATOM 180 CA GLN A 12 -17.354 -19.339 29.606 1.00 23.44 C ATOM 181 C GLN A 12 -16.713 -20.525 30.316 1.00 25.43 C ATOM 182 O GLN A 12 -17.267 -21.624 30.337 1.00 51.41 O ATOM 183 CB GLN A 12 -18.456 -19.819 28.660 1.00 53.11 C ATOM 184 CG GLN A 12 -19.451 -18.732 28.286 1.00 64.42 C ATOM 185 CD GLN A 12 -20.474 -18.476 29.376 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.387 -19.276 29.586 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.327 -17.358 30.076 1.00 71.40 N ATOM 0 H GLN A 12 -16.251 -17.614 29.177 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.803 -18.684 30.353 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -17.999 -20.210 27.751 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.991 -20.645 29.128 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -18.912 -17.808 28.075 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -19.967 -19.017 27.369 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.556 -16.724 29.868 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.985 -17.133 30.822 1.00 71.40 H new ATOM 196 N ARG A 13 -15.547 -20.287 30.907 1.00 31.42 N ATOM 197 CA ARG A 13 -14.826 -21.325 31.637 1.00 30.23 C ATOM 198 C ARG A 13 -14.197 -20.740 32.897 1.00 63.10 C ATOM 199 O ARG A 13 -14.431 -19.580 33.235 1.00 64.23 O ATOM 200 CB ARG A 13 -13.732 -21.953 30.765 1.00 73.20 C ATOM 201 CG ARG A 13 -13.995 -21.853 29.271 1.00 72.11 C ATOM 202 CD ARG A 13 -12.835 -22.416 28.465 1.00 24.42 C ATOM 203 NE ARG A 13 -13.268 -23.445 27.521 1.00 51.31 N ATOM 204 CZ ARG A 13 -13.637 -23.197 26.265 1.00 21.21 C ATOM 205 NH1 ARG A 13 -13.648 -21.956 25.797 1.00 22.03 N ATOM 206 NH2 ARG A 13 -14.002 -24.199 25.475 1.00 63.21 N ATOM 0 H ARG A 13 -15.079 -19.381 30.895 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.541 -22.101 31.911 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.781 -21.469 30.989 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.626 -23.004 31.035 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.908 -22.394 29.024 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.158 -20.811 28.998 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -12.347 -21.608 27.920 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -12.093 -22.837 29.144 1.00 24.42 H new ATOM 0 HE ARG A 13 -13.289 -24.412 27.844 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -13.372 -21.181 26.400 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -13.932 -21.777 24.834 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -13.999 -25.155 25.830 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -14.285 -24.013 24.513 1.00 63.21 H new ATOM 220 N GLU A 14 -13.392 -21.543 33.584 1.00 1.13 N ATOM 221 CA GLU A 14 -12.729 -21.088 34.800 1.00 34.13 C ATOM 222 C GLU A 14 -11.253 -20.801 34.539 1.00 14.15 C ATOM 223 O GLU A 14 -10.469 -21.713 34.277 1.00 14.24 O ATOM 224 CB GLU A 14 -12.881 -22.127 35.914 1.00 13.12 C ATOM 225 CG GLU A 14 -13.275 -21.522 37.252 1.00 33.02 C ATOM 226 CD GLU A 14 -14.132 -22.455 38.088 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.604 -23.486 38.556 1.00 33.53 O ATOM 228 OE2 GLU A 14 -15.329 -22.153 38.274 1.00 65.42 O ATOM 0 H GLU A 14 -13.184 -22.506 33.322 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.206 -20.162 35.120 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.633 -22.859 35.619 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.940 -22.666 36.030 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.374 -21.266 37.809 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.818 -20.593 37.080 1.00 33.02 H new ATOM 235 N ALA A 15 -10.885 -19.526 34.610 1.00 12.03 N ATOM 236 CA ALA A 15 -9.505 -19.113 34.378 1.00 21.22 C ATOM 237 C ALA A 15 -8.876 -18.561 35.652 1.00 54.41 C ATOM 238 O ALA A 15 -9.522 -18.501 36.694 1.00 2.04 O ATOM 239 CB ALA A 15 -9.450 -18.075 33.269 1.00 50.14 C ATOM 0 H ALA A 15 -11.523 -18.760 34.826 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.933 -19.989 34.073 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.416 -17.773 33.104 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.855 -18.501 32.351 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.040 -17.205 33.556 1.00 50.14 H new ATOM 245 N GLU A 16 -7.612 -18.160 35.559 1.00 3.04 N ATOM 246 CA GLU A 16 -6.900 -17.615 36.710 1.00 72.43 C ATOM 247 C GLU A 16 -7.232 -16.138 36.925 1.00 31.24 C ATOM 248 O GLU A 16 -6.893 -15.565 37.961 1.00 54.24 O ATOM 249 CB GLU A 16 -5.392 -17.787 36.529 1.00 40.45 C ATOM 250 CG GLU A 16 -4.859 -17.159 35.251 1.00 2.55 C ATOM 251 CD GLU A 16 -4.519 -18.188 34.191 1.00 45.03 C ATOM 252 OE1 GLU A 16 -4.305 -19.365 34.550 1.00 45.02 O ATOM 253 OE2 GLU A 16 -4.466 -17.817 33.000 1.00 44.31 O ATOM 0 H GLU A 16 -7.061 -18.202 34.702 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.224 -18.167 37.592 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.879 -17.345 37.383 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.153 -18.850 36.529 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.601 -16.466 34.854 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -3.969 -16.574 35.482 1.00 2.55 H new ATOM 260 N GLY A 17 -7.895 -15.527 35.949 1.00 52.13 N ATOM 261 CA GLY A 17 -8.256 -14.125 36.063 1.00 51.12 C ATOM 262 C GLY A 17 -7.043 -13.221 36.171 1.00 22.35 C ATOM 263 O GLY A 17 -5.912 -13.698 36.257 1.00 53.22 O ATOM 0 H GLY A 17 -8.189 -15.976 35.082 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.847 -13.833 35.195 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.888 -13.986 36.940 1.00 51.12 H new ATOM 267 N GLN A 18 -7.278 -11.912 36.164 1.00 21.14 N ATOM 268 CA GLN A 18 -6.193 -10.941 36.261 1.00 54.11 C ATOM 269 C GLN A 18 -5.876 -10.614 37.716 1.00 43.52 C ATOM 270 O GLN A 18 -6.516 -11.131 38.632 1.00 15.54 O ATOM 271 CB GLN A 18 -6.557 -9.662 35.504 1.00 11.52 C ATOM 272 CG GLN A 18 -6.924 -9.903 34.050 1.00 53.05 C ATOM 273 CD GLN A 18 -8.406 -9.735 33.785 1.00 62.42 C ATOM 274 OE1 GLN A 18 -9.241 -10.326 34.470 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.741 -8.922 32.790 1.00 14.32 N ATOM 0 H GLN A 18 -8.208 -11.500 36.092 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.305 -11.383 35.810 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.394 -9.178 36.006 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.715 -8.971 35.548 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.366 -9.211 33.419 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.620 -10.910 33.765 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.015 -8.453 32.248 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.724 -8.767 32.567 1.00 14.32 H new ATOM 284 N ASP A 19 -4.882 -9.756 37.922 1.00 30.30 N ATOM 285 CA ASP A 19 -4.475 -9.362 39.268 1.00 31.15 C ATOM 286 C ASP A 19 -4.677 -7.865 39.495 1.00 54.34 C ATOM 287 O ASP A 19 -4.829 -7.417 40.632 1.00 62.12 O ATOM 288 CB ASP A 19 -3.011 -9.736 39.507 1.00 61.25 C ATOM 289 CG ASP A 19 -2.843 -10.693 40.670 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.315 -10.368 41.780 1.00 32.45 O ATOM 291 OD2 ASP A 19 -2.238 -11.768 40.473 1.00 63.02 O ATOM 0 H ASP A 19 -4.343 -9.320 37.174 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.104 -9.898 39.978 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.603 -10.190 38.604 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.434 -8.831 39.698 1.00 61.25 H new ATOM 296 N PHE A 20 -4.679 -7.094 38.412 1.00 75.50 N ATOM 297 CA PHE A 20 -4.865 -5.651 38.507 1.00 61.11 C ATOM 298 C PHE A 20 -5.757 -5.139 37.381 1.00 11.10 C ATOM 299 O PHE A 20 -5.638 -5.570 36.235 1.00 10.14 O ATOM 300 CB PHE A 20 -3.516 -4.931 38.471 1.00 42.10 C ATOM 301 CG PHE A 20 -2.580 -5.460 37.423 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.629 -4.981 36.125 1.00 62.20 C ATOM 303 CD2 PHE A 20 -1.648 -6.436 37.739 1.00 53.11 C ATOM 304 CE1 PHE A 20 -1.768 -5.465 35.159 1.00 64.11 C ATOM 305 CE2 PHE A 20 -0.783 -6.923 36.778 1.00 13.12 C ATOM 306 CZ PHE A 20 -0.843 -6.438 35.487 1.00 51.01 C ATOM 0 H PHE A 20 -4.554 -7.443 37.462 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.353 -5.440 39.458 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.685 -3.869 38.293 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.041 -5.018 39.448 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.349 -4.220 35.864 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -1.597 -6.820 38.747 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -1.818 -5.084 34.150 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -0.060 -7.683 37.037 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.168 -6.818 34.734 1.00 51.01 H new ATOM 316 N GLN A 21 -6.654 -4.220 37.721 1.00 15.34 N ATOM 317 CA GLN A 21 -7.573 -3.644 36.746 1.00 22.42 C ATOM 318 C GLN A 21 -6.812 -2.909 35.643 1.00 75.54 C ATOM 319 O GLN A 21 -5.914 -2.115 35.920 1.00 3.30 O ATOM 320 CB GLN A 21 -8.545 -2.693 37.447 1.00 41.11 C ATOM 321 CG GLN A 21 -9.560 -2.061 36.514 1.00 63.45 C ATOM 322 CD GLN A 21 -10.821 -1.625 37.235 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.531 -2.443 37.818 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.102 -0.329 37.199 1.00 51.02 N ATOM 0 H GLN A 21 -6.764 -3.857 38.668 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.137 -4.454 36.283 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.074 -3.239 38.228 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -7.976 -1.904 37.939 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.109 -1.198 36.023 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -9.821 -2.773 35.731 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -10.484 0.313 36.703 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -11.936 0.025 37.667 1.00 51.02 H new ATOM 333 N LEU A 22 -7.178 -3.185 34.392 1.00 10.45 N ATOM 334 CA LEU A 22 -6.528 -2.555 33.245 1.00 4.02 C ATOM 335 C LEU A 22 -7.361 -1.393 32.712 1.00 35.51 C ATOM 336 O LEU A 22 -6.828 -0.328 32.396 1.00 71.53 O ATOM 337 CB LEU A 22 -6.297 -3.585 32.136 1.00 12.14 C ATOM 338 CG LEU A 22 -5.733 -4.925 32.609 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.507 -5.856 31.428 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.437 -4.714 33.380 1.00 4.03 C ATOM 0 H LEU A 22 -7.921 -3.840 34.148 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.566 -2.163 33.576 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.243 -3.765 31.625 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.614 -3.159 31.401 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.459 -5.389 33.276 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.105 -6.805 31.784 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.454 -6.032 30.917 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -4.800 -5.400 30.735 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.049 -5.678 33.710 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.705 -4.229 32.735 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.629 -4.084 34.248 1.00 4.03 H new ATOM 352 N TYR A 23 -8.671 -1.597 32.631 1.00 34.05 N ATOM 353 CA TYR A 23 -9.578 -0.558 32.155 1.00 23.50 C ATOM 354 C TYR A 23 -10.023 0.315 33.332 1.00 25.40 C ATOM 355 O TYR A 23 -9.841 -0.063 34.486 1.00 43.13 O ATOM 356 CB TYR A 23 -10.791 -1.188 31.467 1.00 63.45 C ATOM 357 CG TYR A 23 -10.992 -0.740 30.042 1.00 52.33 C ATOM 358 CD1 TYR A 23 -9.992 -0.892 29.094 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.188 -0.162 29.651 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.179 -0.476 27.789 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.385 0.258 28.351 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.379 0.100 27.423 1.00 12.35 C ATOM 363 OH TYR A 23 -11.571 0.519 26.126 1.00 2.05 O ATOM 0 H TYR A 23 -9.129 -2.471 32.888 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.058 0.066 31.428 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.682 -2.272 31.484 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.686 -0.949 32.041 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.053 -1.342 29.379 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -12.980 -0.038 30.375 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.391 -0.601 27.061 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.323 0.708 28.063 1.00 71.50 H new ATOM 0 HH TYR A 23 -12.469 0.901 26.035 1.00 2.05 H new ATOM 373 N PRO A 24 -10.599 1.498 33.067 1.00 32.24 N ATOM 374 CA PRO A 24 -11.042 2.411 34.122 1.00 11.05 C ATOM 375 C PRO A 24 -12.460 2.130 34.605 1.00 1.33 C ATOM 376 O PRO A 24 -13.131 1.217 34.123 1.00 21.12 O ATOM 377 CB PRO A 24 -11.004 3.751 33.404 1.00 65.33 C ATOM 378 CG PRO A 24 -11.479 3.406 32.040 1.00 43.20 C ATOM 379 CD PRO A 24 -10.856 2.066 31.727 1.00 63.42 C ATOM 0 HA PRO A 24 -10.426 2.336 35.018 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.651 4.486 33.884 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -9.999 4.173 33.388 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.567 3.352 32.005 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.174 4.160 31.315 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.527 1.436 31.143 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -9.937 2.173 31.151 1.00 63.42 H new ATOM 387 N GLY A 25 -12.910 2.952 35.547 1.00 62.31 N ATOM 388 CA GLY A 25 -14.251 2.833 36.090 1.00 55.53 C ATOM 389 C GLY A 25 -14.707 1.412 36.343 1.00 61.45 C ATOM 390 O GLY A 25 -13.937 0.568 36.800 1.00 31.03 O ATOM 0 H GLY A 25 -12.360 3.710 35.950 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.300 3.388 37.027 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -14.950 3.308 35.402 1.00 55.53 H new ATOM 394 N GLU A 26 -15.979 1.169 36.054 1.00 34.32 N ATOM 395 CA GLU A 26 -16.588 -0.139 36.256 1.00 25.33 C ATOM 396 C GLU A 26 -16.228 -1.092 35.127 1.00 14.12 C ATOM 397 O GLU A 26 -15.993 -2.278 35.356 1.00 61.02 O ATOM 398 CB GLU A 26 -18.109 0.000 36.356 1.00 60.13 C ATOM 399 CG GLU A 26 -18.803 -1.231 36.917 1.00 32.34 C ATOM 400 CD GLU A 26 -20.096 -0.893 37.634 1.00 53.51 C ATOM 401 OE1 GLU A 26 -20.273 0.282 38.018 1.00 61.30 O ATOM 402 OE2 GLU A 26 -20.933 -1.804 37.809 1.00 44.40 O ATOM 0 H GLU A 26 -16.615 1.870 35.674 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.201 -0.552 37.187 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.345 0.857 36.986 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.511 0.212 35.365 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.013 -1.927 36.105 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.131 -1.740 37.608 1.00 32.34 H new ATOM 409 N LEU A 27 -16.182 -0.568 33.906 1.00 43.20 N ATOM 410 CA LEU A 27 -15.844 -1.381 32.744 1.00 70.03 C ATOM 411 C LEU A 27 -14.603 -2.212 33.023 1.00 3.24 C ATOM 412 O LEU A 27 -14.614 -3.435 32.886 1.00 43.43 O ATOM 413 CB LEU A 27 -15.612 -0.499 31.516 1.00 42.54 C ATOM 414 CG LEU A 27 -16.181 -1.036 30.197 1.00 51.12 C ATOM 415 CD1 LEU A 27 -15.908 -2.527 30.031 1.00 14.22 C ATOM 416 CD2 LEU A 27 -17.673 -0.754 30.110 1.00 51.13 C ATOM 0 H LEU A 27 -16.374 0.412 33.697 1.00 43.20 H new ATOM 0 HA LEU A 27 -16.681 -2.049 32.542 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.049 0.481 31.707 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.539 -0.351 31.395 1.00 42.54 H new ATOM 0 HG LEU A 27 -15.675 -0.517 29.383 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.326 -2.870 29.085 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -14.832 -2.703 30.037 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.370 -3.075 30.852 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.062 -1.141 29.168 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.184 -1.240 30.941 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -17.843 0.322 30.158 1.00 51.13 H new ATOM 428 N GLY A 28 -13.536 -1.542 33.431 1.00 3.43 N ATOM 429 CA GLY A 28 -12.310 -2.242 33.737 1.00 70.33 C ATOM 430 C GLY A 28 -12.512 -3.274 34.819 1.00 53.45 C ATOM 431 O GLY A 28 -11.817 -4.289 34.857 1.00 64.53 O ATOM 0 H GLY A 28 -13.499 -0.530 33.555 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -11.934 -2.728 32.837 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.552 -1.526 34.054 1.00 70.33 H new ATOM 435 N LYS A 29 -13.481 -3.025 35.694 1.00 41.30 N ATOM 436 CA LYS A 29 -13.783 -3.956 36.771 1.00 11.31 C ATOM 437 C LYS A 29 -14.302 -5.279 36.211 1.00 74.12 C ATOM 438 O LYS A 29 -13.723 -6.334 36.462 1.00 50.10 O ATOM 439 CB LYS A 29 -14.810 -3.354 37.730 1.00 13.40 C ATOM 440 CG LYS A 29 -14.457 -3.556 39.195 1.00 74.43 C ATOM 441 CD LYS A 29 -14.712 -2.299 40.010 1.00 54.40 C ATOM 442 CE LYS A 29 -16.165 -2.201 40.441 1.00 33.14 C ATOM 443 NZ LYS A 29 -16.393 -1.058 41.368 1.00 73.52 N ATOM 0 H LYS A 29 -14.067 -2.190 35.677 1.00 41.30 H new ATOM 0 HA LYS A 29 -12.861 -4.148 37.320 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -14.902 -2.287 37.530 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.785 -3.800 37.534 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -15.045 -4.379 39.601 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.408 -3.840 39.281 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -14.069 -2.298 40.890 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -14.446 -1.422 39.420 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -16.798 -2.087 39.561 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -16.462 -3.129 40.929 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -17.397 -1.026 41.639 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -15.808 -1.180 42.219 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -16.133 -0.169 40.894 1.00 73.52 H new ATOM 457 N ARG A 30 -15.395 -5.217 35.450 1.00 14.42 N ATOM 458 CA ARG A 30 -15.980 -6.421 34.862 1.00 74.43 C ATOM 459 C ARG A 30 -14.952 -7.177 34.025 1.00 51.04 C ATOM 460 O ARG A 30 -14.898 -8.401 34.065 1.00 65.32 O ATOM 461 CB ARG A 30 -17.203 -6.074 34.012 1.00 42.34 C ATOM 462 CG ARG A 30 -16.910 -5.078 32.911 1.00 12.00 C ATOM 463 CD ARG A 30 -18.170 -4.704 32.139 1.00 64.35 C ATOM 464 NE ARG A 30 -18.654 -3.369 32.487 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.568 -3.122 33.423 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.141 -4.120 34.088 1.00 71.24 N ATOM 467 NH2 ARG A 30 -19.917 -1.870 33.689 1.00 70.40 N ATOM 0 H ARG A 30 -15.889 -4.353 35.228 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.299 -7.067 35.680 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.599 -6.988 33.569 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -17.982 -5.670 34.658 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.467 -4.180 33.341 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.175 -5.499 32.225 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -17.965 -4.747 31.069 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -18.951 -5.437 32.344 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.266 -2.574 31.979 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -19.881 -5.085 33.883 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -20.840 -3.921 34.803 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.485 -1.101 33.177 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -20.617 -1.677 34.405 1.00 70.40 H new ATOM 481 N ILE A 31 -14.125 -6.451 33.276 1.00 42.52 N ATOM 482 CA ILE A 31 -13.095 -7.092 32.462 1.00 44.44 C ATOM 483 C ILE A 31 -12.114 -7.811 33.365 1.00 73.55 C ATOM 484 O ILE A 31 -11.904 -9.019 33.256 1.00 62.43 O ATOM 485 CB ILE A 31 -12.317 -6.078 31.600 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.270 -5.258 30.736 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.294 -6.794 30.731 1.00 14.54 C ATOM 488 CD1 ILE A 31 -12.807 -3.837 30.542 1.00 24.11 C ATOM 0 H ILE A 31 -14.146 -5.433 33.216 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.598 -7.791 31.794 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.790 -5.396 32.267 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.374 -5.737 29.763 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.258 -5.254 31.196 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -10.753 -6.064 30.129 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.591 -7.333 31.366 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -11.804 -7.499 30.075 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.524 -3.302 29.919 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.729 -3.344 31.511 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -11.832 -3.835 30.055 1.00 24.11 H new ATOM 500 N TYR A 32 -11.536 -7.046 34.276 1.00 64.50 N ATOM 501 CA TYR A 32 -10.591 -7.575 35.235 1.00 23.32 C ATOM 502 C TYR A 32 -11.250 -8.657 36.093 1.00 71.21 C ATOM 503 O TYR A 32 -10.564 -9.447 36.741 1.00 4.24 O ATOM 504 CB TYR A 32 -10.047 -6.433 36.107 1.00 61.31 C ATOM 505 CG TYR A 32 -9.713 -6.831 37.527 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.702 -6.884 38.499 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.413 -7.149 37.890 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.403 -7.246 39.799 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.106 -7.511 39.187 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.103 -7.559 40.138 1.00 75.01 C ATOM 511 OH TYR A 32 -8.799 -7.918 41.431 1.00 23.44 O ATOM 0 H TYR A 32 -11.710 -6.045 34.369 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.757 -8.034 34.703 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.151 -6.029 35.636 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.783 -5.630 36.132 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.720 -6.639 38.236 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.629 -7.113 37.148 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.183 -7.284 40.545 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.089 -7.756 39.455 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.840 -8.108 41.501 1.00 23.44 H new ATOM 521 N ASN A 33 -12.588 -8.676 36.110 1.00 73.34 N ATOM 522 CA ASN A 33 -13.319 -9.658 36.916 1.00 54.32 C ATOM 523 C ASN A 33 -13.813 -10.855 36.097 1.00 71.34 C ATOM 524 O ASN A 33 -13.508 -12.002 36.422 1.00 44.01 O ATOM 525 CB ASN A 33 -14.511 -8.994 37.609 1.00 0.31 C ATOM 526 CG ASN A 33 -14.199 -8.589 39.037 1.00 15.51 C ATOM 527 OD1 ASN A 33 -14.340 -9.384 39.965 1.00 33.41 O ATOM 528 ND2 ASN A 33 -13.774 -7.344 39.220 1.00 61.25 N ATOM 0 H ASN A 33 -13.178 -8.033 35.583 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.613 -10.036 37.656 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.812 -8.113 37.042 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.358 -9.680 37.606 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -13.550 -7.014 40.159 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -13.671 -6.718 38.422 1.00 61.25 H new ATOM 535 N GLU A 34 -14.611 -10.587 35.068 1.00 11.44 N ATOM 536 CA GLU A 34 -15.183 -11.652 34.242 1.00 12.01 C ATOM 537 C GLU A 34 -14.356 -11.945 32.990 1.00 33.04 C ATOM 538 O GLU A 34 -14.493 -13.011 32.394 1.00 14.34 O ATOM 539 CB GLU A 34 -16.613 -11.290 33.842 1.00 14.34 C ATOM 540 CG GLU A 34 -17.557 -11.156 35.027 1.00 71.44 C ATOM 541 CD GLU A 34 -18.026 -12.498 35.556 1.00 43.43 C ATOM 542 OE1 GLU A 34 -19.014 -13.037 35.015 1.00 60.04 O ATOM 543 OE2 GLU A 34 -17.407 -13.010 36.512 1.00 51.51 O ATOM 0 H GLU A 34 -14.878 -9.644 34.784 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.178 -12.558 34.848 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.601 -10.351 33.289 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -16.997 -12.053 33.166 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.055 -10.610 35.826 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.423 -10.564 34.731 1.00 71.44 H new ATOM 550 N ILE A 35 -13.506 -11.013 32.590 1.00 41.23 N ATOM 551 CA ILE A 35 -12.674 -11.212 31.408 1.00 15.01 C ATOM 552 C ILE A 35 -11.244 -11.556 31.812 1.00 22.10 C ATOM 553 O ILE A 35 -10.444 -10.675 32.118 1.00 72.42 O ATOM 554 CB ILE A 35 -12.680 -9.970 30.486 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.107 -9.653 30.023 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.775 -10.189 29.278 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.879 -10.874 29.571 1.00 44.35 C ATOM 0 H ILE A 35 -13.372 -10.118 33.060 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.098 -12.046 30.849 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.298 -9.123 31.056 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.647 -9.173 30.839 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.064 -8.936 29.203 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.795 -9.303 28.643 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.755 -10.371 29.616 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.128 -11.050 28.710 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.880 -10.576 29.257 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.361 -11.343 28.734 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.953 -11.583 30.395 1.00 44.35 H new ATOM 569 N SER A 36 -10.936 -12.850 31.813 1.00 32.24 N ATOM 570 CA SER A 36 -9.608 -13.327 32.184 1.00 70.31 C ATOM 571 C SER A 36 -8.545 -12.788 31.234 1.00 1.11 C ATOM 572 O SER A 36 -8.860 -12.173 30.216 1.00 2.44 O ATOM 573 CB SER A 36 -9.579 -14.856 32.182 1.00 53.15 C ATOM 574 OG SER A 36 -8.318 -15.344 32.603 1.00 41.34 O ATOM 0 H SER A 36 -11.591 -13.589 31.560 1.00 32.24 H new ATOM 0 HA SER A 36 -9.387 -12.963 33.187 1.00 70.31 H new ATOM 0 HB2 SER A 36 -10.358 -15.238 32.841 1.00 53.15 H new ATOM 0 HB3 SER A 36 -9.799 -15.225 31.180 1.00 53.15 H new ATOM 0 HG SER A 36 -7.922 -15.886 31.889 1.00 41.34 H new ATOM 580 N LYS A 37 -7.281 -13.025 31.575 1.00 42.00 N ATOM 581 CA LYS A 37 -6.169 -12.567 30.752 1.00 52.25 C ATOM 582 C LYS A 37 -6.252 -13.160 29.350 1.00 52.31 C ATOM 583 O LYS A 37 -5.939 -12.494 28.363 1.00 14.05 O ATOM 584 CB LYS A 37 -4.836 -12.944 31.401 1.00 71.22 C ATOM 585 CG LYS A 37 -4.295 -11.877 32.340 1.00 2.54 C ATOM 586 CD LYS A 37 -3.121 -12.391 33.160 1.00 32.52 C ATOM 587 CE LYS A 37 -2.519 -11.293 34.026 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.089 -11.555 34.348 1.00 43.10 N ATOM 0 H LYS A 37 -7.003 -13.531 32.416 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.231 -11.482 30.673 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.961 -13.875 31.955 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.101 -13.135 30.619 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -3.982 -11.008 31.761 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.089 -11.545 33.009 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -3.451 -13.214 33.793 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.357 -12.789 32.493 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -2.605 -10.337 33.510 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.089 -11.208 34.951 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -0.719 -10.783 34.939 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -1.008 -12.455 34.863 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -0.539 -11.610 33.467 1.00 43.10 H new ATOM 602 N GLU A 38 -6.675 -14.418 29.270 1.00 41.40 N ATOM 603 CA GLU A 38 -6.800 -15.102 27.988 1.00 54.20 C ATOM 604 C GLU A 38 -7.808 -14.393 27.091 1.00 31.43 C ATOM 605 O GLU A 38 -7.543 -14.147 25.914 1.00 60.21 O ATOM 606 CB GLU A 38 -7.224 -16.556 28.202 1.00 41.40 C ATOM 607 CG GLU A 38 -6.711 -17.506 27.131 1.00 62.41 C ATOM 608 CD GLU A 38 -5.625 -18.430 27.645 1.00 30.14 C ATOM 609 OE1 GLU A 38 -4.790 -17.971 28.454 1.00 72.33 O ATOM 610 OE2 GLU A 38 -5.609 -19.612 27.241 1.00 54.15 O ATOM 0 H GLU A 38 -6.937 -14.984 30.077 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.827 -15.083 27.497 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.864 -16.891 29.175 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.312 -16.608 28.230 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.541 -18.102 26.751 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -6.324 -16.927 26.292 1.00 62.41 H new ATOM 617 N ALA A 39 -8.965 -14.063 27.656 1.00 51.41 N ATOM 618 CA ALA A 39 -10.013 -13.379 26.908 1.00 63.44 C ATOM 619 C ALA A 39 -9.572 -11.973 26.513 1.00 13.12 C ATOM 620 O ALA A 39 -9.866 -11.504 25.414 1.00 44.04 O ATOM 621 CB ALA A 39 -11.296 -13.325 27.726 1.00 12.31 C ATOM 0 H ALA A 39 -9.200 -14.258 28.629 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.204 -13.942 25.994 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.070 -12.812 27.155 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.625 -14.339 27.954 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.113 -12.786 28.655 1.00 12.31 H new ATOM 627 N TRP A 40 -8.861 -11.307 27.419 1.00 21.45 N ATOM 628 CA TRP A 40 -8.375 -9.954 27.167 1.00 64.40 C ATOM 629 C TRP A 40 -7.404 -9.939 25.992 1.00 11.24 C ATOM 630 O TRP A 40 -7.393 -9.001 25.195 1.00 3.30 O ATOM 631 CB TRP A 40 -7.690 -9.393 28.414 1.00 22.34 C ATOM 632 CG TRP A 40 -7.505 -7.905 28.378 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.336 -7.222 28.551 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.520 -6.916 28.159 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.561 -5.870 28.455 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.893 -5.656 28.215 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.896 -6.973 27.921 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.594 -4.465 28.043 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.592 -5.789 27.750 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.940 -4.552 27.812 1.00 72.40 C ATOM 0 H TRP A 40 -8.609 -11.682 28.333 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.232 -9.327 26.920 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.280 -9.656 29.292 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.716 -9.869 28.529 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.375 -7.678 28.736 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.851 -5.143 28.547 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.407 -7.923 27.871 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -8.094 -3.509 28.090 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.656 -5.820 27.566 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.512 -3.646 27.674 1.00 72.40 H new ATOM 651 N ALA A 41 -6.591 -10.987 25.887 1.00 22.20 N ATOM 652 CA ALA A 41 -5.621 -11.096 24.804 1.00 53.14 C ATOM 653 C ALA A 41 -6.322 -11.243 23.458 1.00 42.33 C ATOM 654 O ALA A 41 -5.739 -10.967 22.409 1.00 53.05 O ATOM 655 CB ALA A 41 -4.689 -12.274 25.045 1.00 23.01 C ATOM 0 H ALA A 41 -6.586 -11.772 26.539 1.00 22.20 H new ATOM 0 HA ALA A 41 -5.031 -10.180 24.783 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.971 -12.343 24.228 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.157 -12.130 25.985 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.271 -13.194 25.094 1.00 23.01 H new ATOM 661 N GLN A 42 -7.579 -11.671 23.498 1.00 45.32 N ATOM 662 CA GLN A 42 -8.366 -11.845 22.286 1.00 24.31 C ATOM 663 C GLN A 42 -8.972 -10.515 21.851 1.00 23.11 C ATOM 664 O GLN A 42 -9.201 -10.284 20.664 1.00 73.11 O ATOM 665 CB GLN A 42 -9.465 -12.883 22.518 1.00 64.34 C ATOM 666 CG GLN A 42 -8.962 -14.150 23.196 1.00 12.21 C ATOM 667 CD GLN A 42 -9.492 -15.414 22.548 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.084 -15.372 21.469 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.281 -16.548 23.205 1.00 44.42 N ATOM 0 H GLN A 42 -8.074 -11.904 24.359 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.711 -12.201 21.491 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.251 -12.440 23.129 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.915 -13.146 21.561 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.872 -14.163 23.169 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.255 -14.135 24.246 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.786 -16.536 24.097 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.614 -17.431 22.818 1.00 44.42 H new ATOM 678 N TRP A 43 -9.215 -9.638 22.821 1.00 55.12 N ATOM 679 CA TRP A 43 -9.778 -8.324 22.538 1.00 54.33 C ATOM 680 C TRP A 43 -8.670 -7.345 22.160 1.00 32.20 C ATOM 681 O TRP A 43 -8.738 -6.694 21.120 1.00 45.45 O ATOM 682 CB TRP A 43 -10.558 -7.796 23.750 1.00 21.24 C ATOM 683 CG TRP A 43 -10.662 -6.299 23.792 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.086 -5.463 24.706 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.373 -5.461 22.874 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.400 -4.158 24.413 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.189 -4.130 23.294 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.150 -5.708 21.739 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.752 -3.051 22.617 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.708 -4.636 21.068 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.507 -3.322 21.510 1.00 23.41 C ATOM 0 H TRP A 43 -9.031 -9.814 23.809 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.467 -8.420 21.699 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.562 -8.221 23.739 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -10.074 -8.144 24.663 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.474 -5.781 25.537 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.095 -3.342 24.943 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.312 -6.718 21.392 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.598 -2.037 22.954 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.309 -4.814 20.188 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -12.958 -2.506 20.965 1.00 23.41 H new ATOM 702 N GLN A 44 -7.652 -7.249 23.014 1.00 51.52 N ATOM 703 CA GLN A 44 -6.528 -6.347 22.771 1.00 3.30 C ATOM 704 C GLN A 44 -6.047 -6.446 21.325 1.00 74.45 C ATOM 705 O GLN A 44 -5.755 -5.436 20.687 1.00 32.54 O ATOM 706 CB GLN A 44 -5.380 -6.665 23.732 1.00 73.54 C ATOM 707 CG GLN A 44 -5.663 -6.260 25.171 1.00 4.42 C ATOM 708 CD GLN A 44 -5.291 -4.818 25.455 1.00 41.44 C ATOM 709 OE1 GLN A 44 -4.212 -4.533 25.974 1.00 2.02 O ATOM 710 NE2 GLN A 44 -6.188 -3.897 25.118 1.00 2.33 N ATOM 0 H GLN A 44 -7.583 -7.784 23.879 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.868 -5.326 22.946 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -5.174 -7.735 23.698 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.479 -6.156 23.390 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.722 -6.407 25.384 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.108 -6.914 25.844 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -7.070 -4.177 24.690 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -5.994 -2.910 25.288 1.00 2.33 H new ATOM 719 N HIS A 45 -5.979 -7.670 20.813 1.00 5.13 N ATOM 720 CA HIS A 45 -5.547 -7.899 19.441 1.00 12.51 C ATOM 721 C HIS A 45 -6.525 -7.256 18.459 1.00 52.13 C ATOM 722 O HIS A 45 -6.118 -6.616 17.490 1.00 22.04 O ATOM 723 CB HIS A 45 -5.427 -9.401 19.165 1.00 61.45 C ATOM 724 CG HIS A 45 -5.324 -9.742 17.711 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.123 -9.844 17.043 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.285 -9.997 16.791 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.347 -10.145 15.776 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.651 -10.244 15.598 1.00 45.21 N ATOM 0 H HIS A 45 -6.218 -8.518 21.328 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.568 -7.440 19.305 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.549 -9.787 19.682 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.294 -9.909 19.587 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.351 -10.005 16.964 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.592 -10.286 15.016 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.113 -10.468 14.717 1.00 45.21 H new ATOM 736 N LYS A 46 -7.816 -7.424 18.723 1.00 55.53 N ATOM 737 CA LYS A 46 -8.851 -6.853 17.869 1.00 40.11 C ATOM 738 C LYS A 46 -9.004 -5.358 18.144 1.00 73.41 C ATOM 739 O LYS A 46 -9.479 -4.606 17.299 1.00 51.20 O ATOM 740 CB LYS A 46 -10.183 -7.573 18.098 1.00 2.14 C ATOM 741 CG LYS A 46 -11.341 -7.008 17.286 1.00 34.23 C ATOM 742 CD LYS A 46 -11.585 -7.815 16.019 1.00 13.22 C ATOM 743 CE LYS A 46 -13.035 -8.265 15.912 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.812 -7.423 14.961 1.00 74.13 N ATOM 0 H LYS A 46 -8.171 -7.951 19.521 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.555 -6.986 16.828 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.061 -8.628 17.852 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.435 -7.520 19.157 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.245 -7.004 17.895 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.130 -5.972 17.023 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.325 -7.213 15.148 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -10.931 -8.687 16.011 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.069 -9.305 15.587 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.501 -8.224 16.897 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.794 -7.763 14.918 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.802 -6.435 15.284 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.384 -7.482 14.015 1.00 74.13 H new ATOM 758 N GLN A 47 -8.596 -4.935 19.333 1.00 52.34 N ATOM 759 CA GLN A 47 -8.691 -3.536 19.716 1.00 41.35 C ATOM 760 C GLN A 47 -7.721 -2.677 18.908 1.00 55.42 C ATOM 761 O GLN A 47 -8.123 -1.708 18.266 1.00 61.23 O ATOM 762 CB GLN A 47 -8.399 -3.380 21.209 1.00 50.34 C ATOM 763 CG GLN A 47 -8.528 -1.953 21.706 1.00 75.45 C ATOM 764 CD GLN A 47 -7.721 -1.697 22.964 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.491 -1.735 22.945 1.00 60.30 O ATOM 766 NE2 GLN A 47 -8.413 -1.434 24.065 1.00 24.34 N ATOM 0 H GLN A 47 -8.196 -5.542 20.048 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.706 -3.197 19.507 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.082 -4.016 21.773 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.390 -3.737 21.413 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.200 -1.269 20.923 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.578 -1.734 21.902 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -9.432 -1.413 24.034 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -7.926 -1.253 24.943 1.00 24.34 H new ATOM 775 N THR A 48 -6.442 -3.036 18.956 1.00 2.31 N ATOM 776 CA THR A 48 -5.407 -2.295 18.240 1.00 41.14 C ATOM 777 C THR A 48 -5.753 -2.118 16.763 1.00 32.32 C ATOM 778 O THR A 48 -5.508 -1.058 16.187 1.00 11.51 O ATOM 779 CB THR A 48 -4.056 -3.000 18.377 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.009 -2.168 17.898 1.00 65.15 O ATOM 781 CG2 THR A 48 -3.988 -4.317 17.630 1.00 22.44 C ATOM 0 H THR A 48 -6.096 -3.837 19.484 1.00 2.31 H new ATOM 0 HA THR A 48 -5.346 -1.304 18.690 1.00 41.14 H new ATOM 0 HB THR A 48 -3.939 -3.205 19.441 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.152 -2.633 17.994 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.004 -4.764 17.769 1.00 22.44 H new ATOM 0 HG22 THR A 48 -4.751 -4.993 18.015 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.160 -4.142 16.568 1.00 22.44 H new ATOM 789 N MET A 49 -6.314 -3.156 16.150 1.00 63.31 N ATOM 790 CA MET A 49 -6.676 -3.094 14.737 1.00 24.21 C ATOM 791 C MET A 49 -7.982 -2.332 14.539 1.00 40.42 C ATOM 792 O MET A 49 -8.161 -1.644 13.534 1.00 5.35 O ATOM 793 CB MET A 49 -6.785 -4.502 14.146 1.00 25.43 C ATOM 794 CG MET A 49 -7.742 -5.411 14.898 1.00 13.45 C ATOM 795 SD MET A 49 -8.723 -6.450 13.798 1.00 74.20 S ATOM 796 CE MET A 49 -8.069 -8.071 14.188 1.00 41.13 C ATOM 0 H MET A 49 -6.527 -4.044 16.605 1.00 63.31 H new ATOM 0 HA MET A 49 -5.886 -2.557 14.212 1.00 24.21 H new ATOM 0 HB2 MET A 49 -7.111 -4.426 13.109 1.00 25.43 H new ATOM 0 HB3 MET A 49 -5.796 -4.960 14.137 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.175 -6.045 15.580 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.410 -4.803 15.509 1.00 13.45 H new ATOM 0 HE1 MET A 49 -8.202 -8.733 13.332 1.00 41.13 H new ATOM 0 HE2 MET A 49 -7.007 -7.989 14.421 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.599 -8.480 15.048 1.00 41.13 H new ATOM 806 N LEU A 50 -8.886 -2.447 15.506 1.00 10.12 N ATOM 807 CA LEU A 50 -10.167 -1.755 15.437 1.00 72.50 C ATOM 808 C LEU A 50 -9.957 -0.247 15.455 1.00 24.05 C ATOM 809 O LEU A 50 -10.712 0.504 14.842 1.00 31.33 O ATOM 810 CB LEU A 50 -11.064 -2.176 16.604 1.00 35.02 C ATOM 811 CG LEU A 50 -11.818 -3.491 16.403 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.421 -3.968 17.715 1.00 23.33 C ATOM 813 CD2 LEU A 50 -12.897 -3.331 15.347 1.00 64.03 C ATOM 0 H LEU A 50 -8.755 -3.012 16.345 1.00 10.12 H new ATOM 0 HA LEU A 50 -10.657 -2.029 14.503 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.450 -2.261 17.501 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -11.790 -1.384 16.788 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.109 -4.244 16.058 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -12.953 -4.905 17.551 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.627 -4.125 18.445 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.116 -3.217 18.091 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.423 -4.277 15.218 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.604 -2.563 15.662 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.440 -3.038 14.402 1.00 64.03 H new ATOM 825 N ILE A 51 -8.920 0.187 16.160 1.00 21.21 N ATOM 826 CA ILE A 51 -8.599 1.605 16.260 1.00 51.32 C ATOM 827 C ILE A 51 -7.970 2.113 14.967 1.00 51.43 C ATOM 828 O ILE A 51 -8.202 3.250 14.554 1.00 23.00 O ATOM 829 CB ILE A 51 -7.644 1.866 17.442 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.312 1.441 18.750 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.224 3.332 17.501 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.419 1.586 19.960 1.00 32.24 C ATOM 0 H ILE A 51 -8.285 -0.425 16.673 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.530 2.145 16.432 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.741 1.273 17.295 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.212 2.038 18.899 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.629 0.402 18.665 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.551 3.484 18.345 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.713 3.602 16.577 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.107 3.959 17.624 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -7.959 1.266 20.851 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.530 0.968 19.833 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.122 2.629 20.070 1.00 32.24 H new ATOM 844 N ASN A 52 -7.170 1.265 14.338 1.00 53.30 N ATOM 845 CA ASN A 52 -6.502 1.624 13.094 1.00 52.52 C ATOM 846 C ASN A 52 -7.461 1.541 11.911 1.00 23.31 C ATOM 847 O ASN A 52 -7.372 2.336 10.974 1.00 63.50 O ATOM 848 CB ASN A 52 -5.303 0.706 12.863 1.00 74.33 C ATOM 849 CG ASN A 52 -4.092 1.126 13.671 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.591 2.242 13.527 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.614 0.232 14.528 1.00 75.53 N ATOM 0 H ASN A 52 -6.967 0.322 14.669 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.156 2.654 13.177 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.575 -0.316 13.126 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.048 0.706 11.803 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.800 0.458 15.100 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -4.061 -0.681 14.615 1.00 75.53 H new ATOM 858 N GLU A 53 -8.374 0.575 11.955 1.00 22.35 N ATOM 859 CA GLU A 53 -9.343 0.393 10.878 1.00 2.12 C ATOM 860 C GLU A 53 -10.471 1.418 10.972 1.00 0.01 C ATOM 861 O GLU A 53 -10.747 2.138 10.013 1.00 44.44 O ATOM 862 CB GLU A 53 -9.919 -1.023 10.915 1.00 54.44 C ATOM 863 CG GLU A 53 -10.588 -1.440 9.615 1.00 72.53 C ATOM 864 CD GLU A 53 -12.085 -1.629 9.764 1.00 60.14 C ATOM 865 OE1 GLU A 53 -12.531 -1.979 10.876 1.00 3.25 O ATOM 866 OE2 GLU A 53 -12.812 -1.425 8.768 1.00 64.12 O ATOM 0 H GLU A 53 -8.463 -0.092 12.722 1.00 22.35 H new ATOM 0 HA GLU A 53 -8.824 0.543 9.931 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.119 -1.726 11.144 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.645 -1.090 11.726 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -10.395 -0.685 8.853 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.141 -2.370 9.263 1.00 72.53 H new ATOM 873 N LYS A 54 -11.117 1.483 12.133 1.00 2.21 N ATOM 874 CA LYS A 54 -12.209 2.429 12.342 1.00 51.31 C ATOM 875 C LYS A 54 -11.680 3.849 12.523 1.00 13.10 C ATOM 876 O LYS A 54 -12.456 4.803 12.595 1.00 20.24 O ATOM 877 CB LYS A 54 -13.042 2.031 13.562 1.00 24.31 C ATOM 878 CG LYS A 54 -14.024 0.904 13.289 1.00 71.11 C ATOM 879 CD LYS A 54 -13.474 -0.438 13.742 1.00 44.52 C ATOM 880 CE LYS A 54 -14.342 -1.584 13.250 1.00 52.22 C ATOM 881 NZ LYS A 54 -15.322 -2.025 14.282 1.00 54.31 N ATOM 0 H LYS A 54 -10.905 0.895 12.939 1.00 2.21 H new ATOM 0 HA LYS A 54 -12.841 2.403 11.454 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.371 1.730 14.367 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.592 2.903 13.916 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.963 1.106 13.804 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.247 0.865 12.223 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.458 -0.562 13.368 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.418 -0.462 14.830 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.876 -1.274 12.352 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -13.708 -2.425 12.970 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -15.247 -3.054 14.415 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -15.119 -1.544 15.181 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -16.285 -1.786 13.971 1.00 54.31 H new ATOM 895 N LYS A 55 -10.358 3.987 12.602 1.00 43.42 N ATOM 896 CA LYS A 55 -9.738 5.292 12.781 1.00 74.11 C ATOM 897 C LYS A 55 -10.160 5.908 14.110 1.00 31.21 C ATOM 898 O LYS A 55 -10.741 6.994 14.150 1.00 5.25 O ATOM 899 CB LYS A 55 -10.109 6.224 11.624 1.00 72.23 C ATOM 900 CG LYS A 55 -9.165 6.123 10.437 1.00 12.00 C ATOM 901 CD LYS A 55 -9.922 5.931 9.131 1.00 1.15 C ATOM 902 CE LYS A 55 -8.983 5.918 7.936 1.00 24.22 C ATOM 903 NZ LYS A 55 -9.244 4.761 7.035 1.00 61.25 N ATOM 0 H LYS A 55 -9.699 3.211 12.545 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.656 5.159 12.789 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.122 5.994 11.293 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -10.117 7.253 11.985 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -8.558 7.027 10.377 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -8.480 5.288 10.587 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -10.479 4.995 9.167 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -10.652 6.732 9.012 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -9.096 6.846 7.376 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -7.951 5.880 8.286 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -8.582 4.789 6.233 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -9.112 3.874 7.562 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -10.220 4.811 6.680 1.00 61.25 H new ATOM 917 N LEU A 56 -9.862 5.207 15.199 1.00 30.41 N ATOM 918 CA LEU A 56 -10.205 5.680 16.532 1.00 52.41 C ATOM 919 C LEU A 56 -9.100 6.577 17.084 1.00 51.14 C ATOM 920 O LEU A 56 -8.141 6.899 16.381 1.00 44.51 O ATOM 921 CB LEU A 56 -10.442 4.484 17.462 1.00 75.54 C ATOM 922 CG LEU A 56 -11.689 3.652 17.140 1.00 34.35 C ATOM 923 CD1 LEU A 56 -11.878 2.555 18.175 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.924 4.541 17.068 1.00 14.14 C ATOM 0 H LEU A 56 -9.382 4.307 15.182 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.121 6.268 16.473 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.569 3.833 17.422 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.521 4.849 18.486 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.548 3.185 16.165 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.768 1.974 17.931 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.006 1.901 18.175 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -11.996 3.002 19.162 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.798 3.932 16.838 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.070 5.039 18.027 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.788 5.290 16.287 1.00 14.14 H new ATOM 936 N ASN A 57 -9.237 6.978 18.342 1.00 32.03 N ATOM 937 CA ASN A 57 -8.252 7.836 18.987 1.00 20.43 C ATOM 938 C ASN A 57 -8.378 7.744 20.507 1.00 1.23 C ATOM 939 O ASN A 57 -9.288 8.320 21.102 1.00 1.02 O ATOM 940 CB ASN A 57 -8.427 9.285 18.529 1.00 15.31 C ATOM 941 CG ASN A 57 -7.108 9.943 18.174 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.243 9.328 17.549 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.947 11.199 18.572 1.00 70.12 N ATOM 0 H ASN A 57 -10.024 6.721 18.937 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.257 7.496 18.699 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.088 9.312 17.663 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.914 9.857 19.319 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -6.080 11.693 18.362 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -7.691 11.670 19.088 1.00 70.12 H new ATOM 950 N MET A 58 -7.462 7.006 21.122 1.00 5.10 N ATOM 951 CA MET A 58 -7.466 6.821 22.569 1.00 4.22 C ATOM 952 C MET A 58 -7.322 8.152 23.301 1.00 4.32 C ATOM 953 O MET A 58 -7.645 8.256 24.483 1.00 31.45 O ATOM 954 CB MET A 58 -6.345 5.866 22.992 1.00 30.22 C ATOM 955 CG MET A 58 -5.027 6.114 22.277 1.00 34.55 C ATOM 956 SD MET A 58 -4.493 4.701 21.290 1.00 24.45 S ATOM 957 CE MET A 58 -5.907 4.493 20.211 1.00 24.34 C ATOM 0 H MET A 58 -6.704 6.524 20.639 1.00 5.10 H new ATOM 0 HA MET A 58 -8.427 6.385 22.843 1.00 4.22 H new ATOM 0 HB2 MET A 58 -6.188 5.958 24.067 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.663 4.841 22.803 1.00 30.22 H new ATOM 0 HG2 MET A 58 -5.127 6.986 21.631 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.258 6.349 23.013 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.812 3.556 19.663 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.820 4.474 20.807 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.952 5.323 19.506 1.00 24.34 H new ATOM 967 N MET A 59 -6.839 9.169 22.597 1.00 1.01 N ATOM 968 CA MET A 59 -6.663 10.485 23.196 1.00 74.53 C ATOM 969 C MET A 59 -7.991 11.237 23.246 1.00 71.54 C ATOM 970 O MET A 59 -8.184 12.119 24.083 1.00 44.32 O ATOM 971 CB MET A 59 -5.626 11.289 22.413 1.00 2.02 C ATOM 972 CG MET A 59 -4.519 11.858 23.285 1.00 24.22 C ATOM 973 SD MET A 59 -2.991 12.142 22.371 1.00 11.43 S ATOM 974 CE MET A 59 -2.034 13.046 23.586 1.00 3.04 C ATOM 0 H MET A 59 -6.564 9.108 21.617 1.00 1.01 H new ATOM 0 HA MET A 59 -6.306 10.353 24.217 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.184 10.650 21.648 1.00 2.02 H new ATOM 0 HB3 MET A 59 -6.127 12.107 21.895 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.855 12.797 23.725 1.00 24.22 H new ATOM 0 HG3 MET A 59 -4.323 11.172 24.109 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.058 13.295 23.169 1.00 3.04 H new ATOM 0 HE2 MET A 59 -2.559 13.963 23.854 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.902 12.431 24.476 1.00 3.04 H new ATOM 984 N ASN A 60 -8.905 10.879 22.348 1.00 72.24 N ATOM 985 CA ASN A 60 -10.215 11.514 22.296 1.00 13.25 C ATOM 986 C ASN A 60 -11.235 10.704 23.090 1.00 2.34 C ATOM 987 O ASN A 60 -11.263 9.476 23.011 1.00 73.54 O ATOM 988 CB ASN A 60 -10.679 11.664 20.845 1.00 54.23 C ATOM 989 CG ASN A 60 -10.805 13.116 20.425 1.00 60.15 C ATOM 990 OD1 ASN A 60 -9.806 13.784 20.156 1.00 45.25 O ATOM 991 ND2 ASN A 60 -12.034 13.612 20.368 1.00 43.22 N ATOM 0 H ASN A 60 -8.761 10.152 21.647 1.00 72.24 H new ATOM 0 HA ASN A 60 -10.132 12.505 22.743 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.973 11.158 20.187 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.642 11.168 20.721 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.180 14.583 20.093 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.833 13.022 20.600 1.00 43.22 H new ATOM 998 N ALA A 61 -12.068 11.397 23.855 1.00 10.14 N ATOM 999 CA ALA A 61 -13.086 10.740 24.663 1.00 75.00 C ATOM 1000 C ALA A 61 -14.192 10.160 23.789 1.00 54.22 C ATOM 1001 O ALA A 61 -14.815 9.160 24.143 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.668 11.717 25.672 1.00 34.33 C ATOM 0 H ALA A 61 -12.059 12.414 23.933 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.614 9.917 25.199 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -14.428 11.213 26.270 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.875 12.081 26.325 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -14.119 12.558 25.146 1.00 34.33 H new ATOM 1008 N GLU A 62 -14.432 10.796 22.645 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.466 10.346 21.720 1.00 72.21 C ATOM 1010 C GLU A 62 -15.153 8.955 21.177 1.00 14.54 C ATOM 1011 O GLU A 62 -16.051 8.133 20.997 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.607 11.334 20.561 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.778 11.027 19.641 1.00 22.12 C ATOM 1014 CD GLU A 62 -18.101 11.508 20.203 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -18.653 10.824 21.091 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -18.585 12.568 19.755 1.00 50.21 O ATOM 0 H GLU A 62 -13.924 11.625 22.337 1.00 55.43 H new ATOM 0 HA GLU A 62 -16.407 10.297 22.269 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -15.726 12.340 20.964 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.686 11.331 19.977 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.607 11.496 18.672 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -16.829 9.952 19.470 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.876 8.697 20.923 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.449 7.402 20.405 1.00 60.41 C ATOM 1025 C HIS A 63 -13.232 6.411 21.542 1.00 12.50 C ATOM 1026 O HIS A 63 -13.625 5.248 21.447 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.164 7.544 19.596 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.349 8.240 18.283 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.328 8.413 17.373 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.446 8.806 17.725 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.785 9.056 16.315 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.068 9.306 16.503 1.00 33.54 N ATOM 0 H HIS A 63 -13.119 9.365 21.067 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.238 7.025 19.754 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.432 8.094 20.188 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.748 6.553 19.416 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.433 8.855 18.160 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.208 9.331 15.444 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.679 9.792 15.847 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.599 6.880 22.615 1.00 13.31 N ATOM 1041 CA ARG A 64 -12.324 6.038 23.775 1.00 25.03 C ATOM 1042 C ARG A 64 -13.563 5.239 24.168 1.00 71.40 C ATOM 1043 O ARG A 64 -13.516 4.015 24.285 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.868 6.894 24.959 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.941 6.165 25.917 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.517 6.144 25.391 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.733 5.044 25.954 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.808 5.195 26.902 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.560 6.392 27.421 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.129 4.141 27.337 1.00 33.54 N ATOM 0 H ARG A 64 -12.267 7.840 22.704 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.528 5.344 23.507 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.361 7.781 24.581 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.745 7.238 25.507 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.965 6.652 26.892 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -11.293 5.144 26.062 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.535 6.056 24.305 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -9.031 7.091 25.626 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.905 4.103 25.599 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.079 7.207 27.095 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -6.850 6.496 28.146 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -7.315 3.218 26.946 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.421 4.254 28.062 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.674 5.945 24.361 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.930 5.306 24.729 1.00 31.33 C ATOM 1066 C LYS A 65 -16.376 4.340 23.637 1.00 61.24 C ATOM 1067 O LYS A 65 -17.076 3.363 23.909 1.00 33.24 O ATOM 1068 CB LYS A 65 -17.016 6.356 24.979 1.00 52.43 C ATOM 1069 CG LYS A 65 -17.263 7.277 23.795 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.747 7.560 23.604 1.00 51.14 C ATOM 1071 CE LYS A 65 -19.024 9.052 23.511 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.046 9.702 24.851 1.00 60.30 N ATOM 0 H LYS A 65 -14.728 6.959 24.268 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.771 4.745 25.650 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.947 5.849 25.233 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.734 6.958 25.843 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.730 8.216 23.946 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.859 6.823 22.890 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -19.098 7.067 22.698 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -19.309 7.136 24.436 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.261 9.524 22.892 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -19.981 9.212 23.015 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.238 10.718 24.741 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.791 9.270 25.434 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -18.124 9.572 25.315 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.961 4.614 22.403 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.314 3.763 21.275 1.00 65.44 C ATOM 1088 C LEU A 66 -15.662 2.394 21.416 1.00 64.34 C ATOM 1089 O LEU A 66 -16.307 1.364 21.220 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.888 4.411 19.958 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.797 4.100 18.765 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.334 5.386 18.156 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.053 3.280 17.721 1.00 64.02 C ATOM 0 H LEU A 66 -15.381 5.418 22.161 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.397 3.638 21.269 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.851 5.492 20.096 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.875 4.085 19.720 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.641 3.510 19.121 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.978 5.147 17.310 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.907 5.932 18.905 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.502 6.003 17.816 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.717 3.070 16.882 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.188 3.840 17.367 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.721 2.341 18.165 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.381 2.385 21.773 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.652 1.137 21.956 1.00 22.20 C ATOM 1107 C LEU A 67 -14.359 0.270 22.989 1.00 1.33 C ATOM 1108 O LEU A 67 -14.665 -0.895 22.738 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.218 1.417 22.418 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.121 1.282 21.356 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.796 0.966 22.024 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.458 0.208 20.329 1.00 25.32 C ATOM 0 H LEU A 67 -13.829 3.226 21.941 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.620 0.612 21.001 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.180 2.429 22.821 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.985 0.738 23.238 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.048 2.232 20.827 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.019 0.871 21.265 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.535 1.770 22.712 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.881 0.030 22.576 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.656 0.143 19.594 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.569 -0.753 20.831 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.391 0.465 19.827 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.625 0.861 24.148 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.309 0.164 25.227 1.00 31.11 C ATOM 1126 C GLU A 68 -16.638 -0.407 24.734 1.00 33.44 C ATOM 1127 O GLU A 68 -17.158 -1.370 25.298 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.532 1.120 26.406 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.525 0.613 27.438 1.00 52.31 C ATOM 1130 CD GLU A 68 -17.953 1.002 27.114 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -18.177 2.168 26.728 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -18.848 0.141 27.249 1.00 41.25 O ATOM 0 H GLU A 68 -14.375 1.826 24.364 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.688 -0.666 25.564 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.576 1.303 26.897 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -15.882 2.078 26.022 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.454 -0.473 27.502 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -16.258 1.008 28.418 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.175 0.190 23.672 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.435 -0.259 23.094 1.00 31.33 C ATOM 1141 C GLN A 69 -18.235 -1.545 22.298 1.00 54.04 C ATOM 1142 O GLN A 69 -19.001 -2.498 22.434 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.018 0.827 22.186 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.465 0.577 21.791 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.590 -0.129 20.455 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -20.081 0.345 19.438 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.272 -1.267 20.451 1.00 70.13 N ATOM 0 H GLN A 69 -16.754 0.987 23.195 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.132 -0.457 23.908 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.950 1.789 22.694 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.411 0.899 21.284 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.950 -0.022 22.561 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.995 1.528 21.746 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -21.676 -1.622 21.317 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -21.392 -1.787 19.582 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.199 -1.559 21.464 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.893 -2.723 20.639 1.00 33.15 C ATOM 1158 C GLU A 70 -16.502 -3.922 21.499 1.00 4.01 C ATOM 1159 O GLU A 70 -17.045 -5.014 21.333 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.768 -2.398 19.655 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.222 -1.577 18.458 1.00 12.23 C ATOM 1162 CD GLU A 70 -15.129 -0.674 17.921 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -13.949 -0.905 18.259 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -15.453 0.263 17.161 1.00 22.20 O ATOM 0 H GLU A 70 -16.557 -0.776 21.342 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.793 -2.982 20.080 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.983 -1.854 20.181 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.328 -3.330 19.300 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.554 -2.249 17.667 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -17.082 -0.970 18.743 1.00 12.23 H new ATOM 1171 N MET A 71 -15.553 -3.716 22.410 1.00 72.11 N ATOM 1172 CA MET A 71 -15.087 -4.792 23.286 1.00 42.11 C ATOM 1173 C MET A 71 -16.260 -5.596 23.851 1.00 0.22 C ATOM 1174 O MET A 71 -16.218 -6.826 23.881 1.00 15.12 O ATOM 1175 CB MET A 71 -14.214 -4.223 24.417 1.00 44.14 C ATOM 1176 CG MET A 71 -14.820 -4.325 25.812 1.00 2.34 C ATOM 1177 SD MET A 71 -13.613 -4.012 27.113 1.00 23.31 S ATOM 1178 CE MET A 71 -13.747 -2.235 27.281 1.00 23.35 C ATOM 0 H MET A 71 -15.093 -2.818 22.561 1.00 72.11 H new ATOM 0 HA MET A 71 -14.479 -5.473 22.691 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.257 -4.744 24.414 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.007 -3.175 24.203 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.639 -3.612 25.902 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.246 -5.319 25.948 1.00 2.34 H new ATOM 0 HE1 MET A 71 -13.352 -1.930 28.250 1.00 23.35 H new ATOM 0 HE2 MET A 71 -13.177 -1.751 26.488 1.00 23.35 H new ATOM 0 HE3 MET A 71 -14.794 -1.940 27.207 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.303 -4.901 24.298 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.475 -5.565 24.859 1.00 11.44 C ATOM 1190 C VAL A 72 -19.026 -6.604 23.890 1.00 55.10 C ATOM 1191 O VAL A 72 -19.103 -7.788 24.211 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.594 -4.559 25.204 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.802 -5.273 25.804 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.075 -3.488 26.153 1.00 54.21 C ATOM 0 H VAL A 72 -17.360 -3.883 24.283 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.149 -6.054 25.777 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.913 -4.075 24.281 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.577 -4.543 26.039 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.190 -5.996 25.087 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.503 -5.790 26.716 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -19.877 -2.788 26.385 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.724 -3.956 27.073 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.251 -2.952 25.681 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.403 -6.150 22.699 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.946 -7.037 21.676 1.00 33.53 C ATOM 1206 C ASN A 73 -19.040 -8.247 21.446 1.00 45.13 C ATOM 1207 O ASN A 73 -19.479 -9.269 20.919 1.00 11.01 O ATOM 1208 CB ASN A 73 -20.135 -6.273 20.364 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.171 -6.919 19.465 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -20.872 -7.858 18.728 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.398 -6.415 19.522 1.00 43.31 N ATOM 0 H ASN A 73 -19.342 -5.171 22.418 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.912 -7.400 22.028 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.436 -5.248 20.583 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.182 -6.220 19.837 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -23.138 -6.807 18.940 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -22.601 -5.636 20.148 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.774 -8.123 21.833 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.814 -9.206 21.662 1.00 43.41 C ATOM 1220 C PHE A 74 -16.693 -10.055 22.928 1.00 53.44 C ATOM 1221 O PHE A 74 -16.741 -11.285 22.865 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.444 -8.639 21.285 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.476 -9.679 20.797 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.554 -10.166 19.502 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -13.485 -10.169 21.634 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -13.665 -11.123 19.051 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -12.592 -11.126 21.188 1.00 1.20 C ATOM 1228 CZ PHE A 74 -12.683 -11.603 19.895 1.00 14.42 C ATOM 0 H PHE A 74 -17.390 -7.283 22.267 1.00 74.22 H new ATOM 0 HA PHE A 74 -17.177 -9.848 20.859 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.574 -7.883 20.510 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -15.017 -8.136 22.153 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.319 -9.793 18.837 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -13.410 -9.799 22.646 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -13.738 -11.495 18.040 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -11.825 -11.500 21.850 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.987 -12.351 19.544 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.512 -9.397 24.070 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.357 -10.103 25.341 1.00 13.42 C ATOM 1240 C LEU A 75 -17.625 -10.057 26.195 1.00 31.53 C ATOM 1241 O LEU A 75 -18.074 -11.082 26.707 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.190 -9.509 26.135 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.985 -9.064 25.299 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.577 -7.644 25.659 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.816 -10.021 25.493 1.00 74.13 C ATOM 0 H LEU A 75 -16.469 -8.381 24.143 1.00 52.12 H new ATOM 0 HA LEU A 75 -16.156 -11.147 25.100 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.556 -8.651 26.699 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.853 -10.248 26.862 1.00 43.21 H new ATOM 0 HG LEU A 75 -14.273 -9.082 24.248 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.720 -7.347 25.054 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.409 -6.967 25.466 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.309 -7.599 26.715 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.970 -9.689 24.892 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.530 -10.037 26.545 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.111 -11.023 25.182 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.176 -8.861 26.373 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.371 -8.680 27.199 1.00 61.03 C ATOM 1259 C PHE A 76 -20.655 -8.718 26.386 1.00 53.21 C ATOM 1260 O PHE A 76 -21.651 -8.096 26.751 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.295 -7.359 27.924 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.086 -7.241 28.793 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -17.934 -8.065 29.893 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.096 -6.318 28.502 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -16.814 -7.971 30.690 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -15.976 -6.218 29.298 1.00 14.30 C ATOM 1267 CZ PHE A 76 -15.835 -7.048 30.392 1.00 10.35 C ATOM 0 H PHE A 76 -17.817 -8.001 25.958 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.396 -9.510 27.905 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.292 -6.549 27.194 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.189 -7.234 28.535 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.700 -8.789 30.130 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.203 -5.671 27.644 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.704 -8.619 31.547 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.210 -5.492 29.067 1.00 14.30 H new ATOM 0 HZ PHE A 76 -14.956 -6.974 31.015 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.619 -9.440 25.290 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.771 -9.568 24.407 1.00 1.24 C ATOM 1279 C GLU A 77 -22.887 -10.355 25.085 1.00 64.35 C ATOM 1280 O GLU A 77 -23.316 -11.401 24.595 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.364 -10.255 23.103 1.00 71.23 C ATOM 1282 CG GLU A 77 -22.358 -10.048 21.971 1.00 55.43 C ATOM 1283 CD GLU A 77 -22.769 -11.350 21.312 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.949 -12.292 21.292 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -23.913 -11.428 20.816 1.00 31.00 O ATOM 0 H GLU A 77 -19.796 -9.957 24.980 1.00 54.11 H new ATOM 0 HA GLU A 77 -22.141 -8.568 24.182 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -20.389 -9.879 22.793 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -21.250 -11.324 23.285 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -23.244 -9.545 22.358 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.919 -9.389 21.222 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.349 -9.843 26.216 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.407 -10.499 26.953 1.00 62.55 C ATOM 1294 C GLY A 78 -24.980 -9.625 28.051 1.00 72.21 C ATOM 1295 O GLY A 78 -26.187 -9.632 28.290 1.00 64.15 O ATOM 0 H GLY A 78 -23.007 -8.980 26.638 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.204 -10.781 26.265 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -24.023 -11.421 27.390 1.00 62.55 H new