USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 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= -1.09 K(o=-2,f=-4.8!) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.869 X(o=-2,f=-2) USER MOD Set 2.1: A 8 CYS SG : rot 17:sc= 0.711 USER MOD Set 2.2: A 36 SER OG : rot -78:sc= 0.509 USER MOD Single : A 5 THR OG1 : rot 36:sc= 0.162 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.53) USER MOD Single : A 18 GLN : amide:sc= 0.916 K(o=0.92,f=-5.5!) USER MOD Single : A 21 GLN : amide:sc= -2.14 K(o=-2.1,f=-8.9!) USER MOD Single : A 23 TYR OH : rot 30:sc=-0.00229 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= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= -0.255 (180deg=-1.94!) USER MOD Single : A 42 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.73) USER MOD Single : A 45 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.0061) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0172) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= -0.0156 (180deg=-0.86) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0731 X(o=-0.073,f=-0.087) USER MOD Single : A 58 MET CE :methyl -169:sc= -10.1! (180deg=-11.2!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.99 K(o=-2,f=-2.7!) USER MOD Single : A 63 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.043) USER MOD Single : A 71 MET CE :methyl -152:sc= -7.07 (180deg=-10.8!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.681 -18.996 40.644 1.00 61.43 N ATOM 63 CA THR A 5 -9.104 -19.002 39.247 1.00 75.42 C ATOM 64 C THR A 5 -10.529 -18.476 39.124 1.00 53.15 C ATOM 65 O THR A 5 -11.460 -19.037 39.697 1.00 32.22 O ATOM 66 CB THR A 5 -9.016 -20.417 38.672 1.00 2.14 C ATOM 67 OG1 THR A 5 -7.736 -20.977 38.909 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.271 -20.476 37.181 1.00 34.41 C ATOM 0 HA THR A 5 -8.439 -18.350 38.680 1.00 75.42 H new ATOM 0 HB THR A 5 -9.796 -20.982 39.181 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.406 -20.680 39.783 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.193 -21.508 36.839 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.271 -20.097 36.968 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.533 -19.865 36.661 1.00 34.41 H new ATOM 76 N ILE A 6 -10.689 -17.390 38.377 1.00 1.53 N ATOM 77 CA ILE A 6 -11.998 -16.780 38.188 1.00 33.41 C ATOM 78 C ILE A 6 -12.799 -17.507 37.115 1.00 11.10 C ATOM 79 O ILE A 6 -12.363 -18.526 36.579 1.00 72.21 O ATOM 80 CB ILE A 6 -11.875 -15.292 37.803 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.225 -15.136 36.423 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.075 -14.541 38.854 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.572 -13.834 35.737 1.00 23.21 C ATOM 0 H ILE A 6 -9.928 -16.914 37.893 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.521 -16.860 39.141 1.00 33.41 H new ATOM 0 HB ILE A 6 -12.878 -14.867 37.755 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.142 -15.204 36.530 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.535 -15.966 35.788 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -10.996 -13.492 38.570 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.577 -14.619 39.818 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.077 -14.973 38.929 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.078 -13.791 34.766 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.651 -13.772 35.598 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.237 -12.998 36.352 1.00 23.21 H new ATOM 95 N PHE A 7 -13.968 -16.965 36.798 1.00 13.34 N ATOM 96 CA PHE A 7 -14.829 -17.544 35.778 1.00 50.22 C ATOM 97 C PHE A 7 -14.973 -16.585 34.605 1.00 42.14 C ATOM 98 O PHE A 7 -15.729 -15.616 34.678 1.00 72.41 O ATOM 99 CB PHE A 7 -16.204 -17.871 36.358 1.00 50.24 C ATOM 100 CG PHE A 7 -17.001 -18.818 35.507 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.524 -20.089 35.226 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.227 -18.437 34.986 1.00 40.51 C ATOM 103 CE1 PHE A 7 -17.253 -20.961 34.443 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.961 -19.304 34.200 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.474 -20.568 33.929 1.00 21.53 C ATOM 0 H PHE A 7 -14.341 -16.122 37.235 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.371 -18.469 35.426 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.078 -18.304 37.350 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.767 -16.946 36.483 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.570 -20.401 35.625 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.613 -17.451 35.197 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.870 -21.949 34.232 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.914 -18.994 33.798 1.00 31.12 H new ATOM 0 HZ PHE A 7 -19.047 -21.248 33.316 1.00 21.53 H new ATOM 115 N CYS A 8 -14.244 -16.852 33.528 1.00 31.32 N ATOM 116 CA CYS A 8 -14.300 -15.998 32.352 1.00 54.41 C ATOM 117 C CYS A 8 -15.690 -16.053 31.724 1.00 65.22 C ATOM 118 O CYS A 8 -16.336 -17.101 31.725 1.00 34.32 O ATOM 119 CB CYS A 8 -13.239 -16.416 31.334 1.00 24.25 C ATOM 120 SG CYS A 8 -13.058 -15.274 29.945 1.00 51.15 S ATOM 0 H CYS A 8 -13.612 -17.648 33.446 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.096 -14.972 32.660 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.279 -16.508 31.843 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.491 -17.404 30.948 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.608 -14.135 30.245 1.00 51.15 H new ATOM 126 N THR A 9 -16.146 -14.927 31.187 1.00 52.25 N ATOM 127 CA THR A 9 -17.462 -14.867 30.559 1.00 12.21 C ATOM 128 C THR A 9 -17.351 -14.980 29.040 1.00 43.22 C ATOM 129 O THR A 9 -18.310 -15.357 28.367 1.00 73.23 O ATOM 130 CB THR A 9 -18.184 -13.572 30.944 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.530 -13.601 30.505 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.540 -12.329 30.368 1.00 1.45 C ATOM 0 H THR A 9 -15.628 -14.048 31.173 1.00 52.25 H new ATOM 0 HA THR A 9 -18.045 -15.713 30.922 1.00 12.21 H new ATOM 0 HB THR A 9 -18.122 -13.520 32.031 1.00 25.02 H new ATOM 0 HG1 THR A 9 -19.976 -12.767 30.761 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.103 -11.449 30.681 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.514 -12.250 30.728 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.539 -12.391 29.280 1.00 1.45 H new ATOM 140 N PHE A 10 -16.175 -14.661 28.505 1.00 65.32 N ATOM 141 CA PHE A 10 -15.946 -14.740 27.069 1.00 62.40 C ATOM 142 C PHE A 10 -15.801 -16.195 26.642 1.00 73.04 C ATOM 143 O PHE A 10 -16.382 -16.624 25.646 1.00 1.33 O ATOM 144 CB PHE A 10 -14.693 -13.947 26.686 1.00 25.33 C ATOM 145 CG PHE A 10 -14.316 -14.075 25.236 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.139 -13.564 24.247 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.138 -14.705 24.864 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.796 -13.677 22.913 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.789 -14.822 23.533 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.619 -14.307 22.556 1.00 24.22 C ATOM 0 H PHE A 10 -15.369 -14.346 29.045 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.802 -14.306 26.553 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.855 -12.894 26.919 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.858 -14.285 27.300 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.060 -13.071 24.521 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.486 -15.109 25.624 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.447 -13.274 22.151 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.869 -15.315 23.256 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.348 -14.397 21.514 1.00 24.22 H new ATOM 160 N LEU A 11 -15.029 -16.952 27.413 1.00 73.11 N ATOM 161 CA LEU A 11 -14.816 -18.364 27.128 1.00 31.00 C ATOM 162 C LEU A 11 -15.875 -19.220 27.814 1.00 73.10 C ATOM 163 O LEU A 11 -16.017 -20.405 27.513 1.00 62.15 O ATOM 164 CB LEU A 11 -13.422 -18.802 27.581 1.00 1.01 C ATOM 165 CG LEU A 11 -12.299 -17.805 27.294 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.198 -17.930 28.337 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.741 -18.022 25.893 1.00 2.01 C ATOM 0 H LEU A 11 -14.540 -16.610 28.241 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.897 -18.504 26.050 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.450 -18.994 28.654 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.180 -19.747 27.094 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.708 -16.796 27.347 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.406 -17.213 28.118 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.609 -17.726 29.326 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.789 -18.940 28.315 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.943 -17.304 25.704 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.346 -19.035 25.812 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.535 -17.882 25.159 1.00 2.01 H new ATOM 179 N GLN A 12 -16.613 -18.616 28.742 1.00 23.53 N ATOM 180 CA GLN A 12 -17.650 -19.329 29.471 1.00 23.44 C ATOM 181 C GLN A 12 -17.046 -20.489 30.254 1.00 25.43 C ATOM 182 O GLN A 12 -17.620 -21.576 30.317 1.00 51.41 O ATOM 183 CB GLN A 12 -18.721 -19.845 28.506 1.00 53.11 C ATOM 184 CG GLN A 12 -19.866 -18.869 28.294 1.00 64.42 C ATOM 185 CD GLN A 12 -20.538 -18.465 29.591 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.796 -19.300 30.457 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.824 -17.175 29.731 1.00 71.40 N ATOM 0 H GLN A 12 -16.510 -17.636 29.004 1.00 23.53 H new ATOM 0 HA GLN A 12 -18.116 -18.638 30.173 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.257 -20.063 27.544 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.121 -20.784 28.888 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.490 -17.978 27.791 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.605 -19.320 27.632 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -20.592 -16.517 28.987 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -21.276 -16.842 30.583 1.00 71.40 H new ATOM 196 N ARG A 13 -15.885 -20.246 30.854 1.00 31.42 N ATOM 197 CA ARG A 13 -15.200 -21.267 31.641 1.00 30.23 C ATOM 198 C ARG A 13 -14.512 -20.637 32.848 1.00 63.10 C ATOM 199 O ARG A 13 -14.743 -19.472 33.168 1.00 64.23 O ATOM 200 CB ARG A 13 -14.165 -22.009 30.785 1.00 73.20 C ATOM 201 CG ARG A 13 -14.351 -21.821 29.289 1.00 72.11 C ATOM 202 CD ARG A 13 -13.488 -22.787 28.491 1.00 24.42 C ATOM 203 NE ARG A 13 -12.275 -22.146 27.988 1.00 51.31 N ATOM 204 CZ ARG A 13 -11.810 -22.290 26.747 1.00 21.21 C ATOM 205 NH1 ARG A 13 -12.444 -23.059 25.871 1.00 22.03 N ATOM 206 NH2 ARG A 13 -10.700 -21.662 26.382 1.00 63.21 N ATOM 0 H ARG A 13 -15.398 -19.351 30.811 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.946 -21.982 31.989 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -13.168 -21.668 31.062 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -14.214 -23.073 31.016 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.399 -21.970 29.031 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.098 -20.796 29.016 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -13.216 -23.635 29.119 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -14.064 -23.182 27.654 1.00 24.42 H new ATOM 0 HE ARG A 13 -11.750 -21.550 28.628 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -13.297 -23.548 26.144 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -12.079 -23.162 24.924 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -10.205 -21.071 27.050 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -10.341 -21.770 25.433 1.00 63.21 H new ATOM 220 N GLU A 14 -13.657 -21.411 33.508 1.00 1.13 N ATOM 221 CA GLU A 14 -12.929 -20.925 34.673 1.00 34.13 C ATOM 222 C GLU A 14 -11.458 -20.709 34.335 1.00 14.15 C ATOM 223 O GLU A 14 -10.755 -21.646 33.957 1.00 14.24 O ATOM 224 CB GLU A 14 -13.059 -21.914 35.832 1.00 13.12 C ATOM 225 CG GLU A 14 -13.144 -21.247 37.195 1.00 33.02 C ATOM 226 CD GLU A 14 -13.862 -22.104 38.220 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.768 -23.345 38.126 1.00 33.53 O ATOM 228 OE2 GLU A 14 -14.519 -21.532 39.118 1.00 65.42 O ATOM 0 H GLU A 14 -13.452 -22.378 33.255 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.362 -19.970 34.973 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.949 -22.524 35.679 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.203 -22.589 35.820 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.138 -21.027 37.551 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.663 -20.293 37.097 1.00 33.02 H new ATOM 235 N ALA A 15 -10.999 -19.469 34.465 1.00 12.03 N ATOM 236 CA ALA A 15 -9.613 -19.140 34.165 1.00 21.22 C ATOM 237 C ALA A 15 -9.061 -18.117 35.149 1.00 54.41 C ATOM 238 O ALA A 15 -9.813 -17.472 35.880 1.00 2.04 O ATOM 239 CB ALA A 15 -9.492 -18.619 32.742 1.00 50.14 C ATOM 0 H ALA A 15 -11.565 -18.679 34.775 1.00 12.03 H new ATOM 0 HA ALA A 15 -9.023 -20.052 34.262 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.451 -18.377 32.531 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.836 -19.383 32.044 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.103 -17.723 32.629 1.00 50.14 H new ATOM 245 N GLU A 16 -7.740 -17.971 35.159 1.00 3.04 N ATOM 246 CA GLU A 16 -7.081 -17.023 36.048 1.00 72.43 C ATOM 247 C GLU A 16 -7.573 -15.602 35.784 1.00 31.24 C ATOM 248 O GLU A 16 -8.292 -15.355 34.815 1.00 54.24 O ATOM 249 CB GLU A 16 -5.564 -17.094 35.867 1.00 40.45 C ATOM 250 CG GLU A 16 -5.100 -16.711 34.470 1.00 2.55 C ATOM 251 CD GLU A 16 -3.622 -16.379 34.418 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.141 -15.667 35.326 1.00 45.02 O ATOM 253 OE2 GLU A 16 -2.945 -16.830 33.470 1.00 44.31 O ATOM 0 H GLU A 16 -7.105 -18.498 34.560 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.329 -17.289 37.075 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -5.088 -16.434 36.593 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.227 -18.107 36.088 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.309 -17.532 33.784 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.674 -15.852 34.123 1.00 2.55 H new ATOM 260 N GLY A 17 -7.185 -14.674 36.650 1.00 52.13 N ATOM 261 CA GLY A 17 -7.602 -13.293 36.489 1.00 51.12 C ATOM 262 C GLY A 17 -6.440 -12.322 36.572 1.00 22.35 C ATOM 263 O GLY A 17 -5.293 -12.730 36.756 1.00 53.22 O ATOM 0 H GLY A 17 -6.590 -14.852 37.459 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.100 -13.177 35.526 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.334 -13.046 37.258 1.00 51.12 H new ATOM 267 N GLN A 18 -6.737 -11.033 36.434 1.00 21.14 N ATOM 268 CA GLN A 18 -5.708 -10.001 36.495 1.00 54.11 C ATOM 269 C GLN A 18 -5.572 -9.445 37.910 1.00 43.52 C ATOM 270 O GLN A 18 -6.563 -9.296 38.625 1.00 15.54 O ATOM 271 CB GLN A 18 -6.030 -8.869 35.516 1.00 11.52 C ATOM 272 CG GLN A 18 -6.210 -9.338 34.081 1.00 53.05 C ATOM 273 CD GLN A 18 -7.642 -9.209 33.601 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.038 -8.174 33.066 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.426 -10.261 33.793 1.00 14.32 N ATOM 0 H GLN A 18 -7.681 -10.679 36.279 1.00 21.14 H new ATOM 0 HA GLN A 18 -4.759 -10.456 36.213 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -6.940 -8.366 35.842 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.228 -8.131 35.550 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -5.558 -8.757 33.428 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -5.896 -10.379 34.001 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.055 -11.099 34.241 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.400 -10.233 33.493 1.00 14.32 H new ATOM 284 N ASP A 19 -4.340 -9.144 38.305 1.00 30.30 N ATOM 285 CA ASP A 19 -4.070 -8.608 39.635 1.00 31.15 C ATOM 286 C ASP A 19 -4.537 -7.159 39.751 1.00 54.34 C ATOM 287 O ASP A 19 -4.936 -6.709 40.823 1.00 62.12 O ATOM 288 CB ASP A 19 -2.575 -8.697 39.948 1.00 61.25 C ATOM 289 CG ASP A 19 -2.214 -9.969 40.690 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.113 -10.568 41.316 1.00 32.45 O ATOM 291 OD2 ASP A 19 -1.030 -10.366 40.645 1.00 63.02 O ATOM 0 H ASP A 19 -3.511 -9.262 37.723 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.626 -9.207 40.357 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.008 -8.649 39.018 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.280 -7.835 40.546 1.00 61.25 H new ATOM 296 N PHE A 20 -4.479 -6.433 38.639 1.00 75.50 N ATOM 297 CA PHE A 20 -4.895 -5.033 38.619 1.00 61.11 C ATOM 298 C PHE A 20 -5.857 -4.766 37.468 1.00 11.10 C ATOM 299 O PHE A 20 -5.686 -5.295 36.370 1.00 10.14 O ATOM 300 CB PHE A 20 -3.674 -4.120 38.492 1.00 42.10 C ATOM 301 CG PHE A 20 -2.726 -4.538 37.404 1.00 20.33 C ATOM 302 CD1 PHE A 20 -3.070 -4.384 36.070 1.00 53.11 C ATOM 303 CD2 PHE A 20 -1.492 -5.088 37.714 1.00 62.20 C ATOM 304 CE1 PHE A 20 -2.203 -4.771 35.066 1.00 13.12 C ATOM 305 CE2 PHE A 20 -0.619 -5.476 36.715 1.00 64.11 C ATOM 306 CZ PHE A 20 -0.976 -5.318 35.390 1.00 51.01 C ATOM 0 H PHE A 20 -4.149 -6.789 37.742 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.408 -4.821 39.557 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -4.010 -3.101 38.299 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.141 -4.105 39.442 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -4.028 -3.956 35.812 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -1.209 -5.215 38.749 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -2.484 -4.646 34.031 1.00 13.12 H new ATOM 0 HE2 PHE A 20 0.340 -5.902 36.970 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.296 -5.622 34.608 1.00 51.01 H new ATOM 316 N GLN A 21 -6.870 -3.944 37.727 1.00 15.34 N ATOM 317 CA GLN A 21 -7.856 -3.608 36.707 1.00 22.42 C ATOM 318 C GLN A 21 -7.188 -2.953 35.502 1.00 75.54 C ATOM 319 O GLN A 21 -6.343 -2.071 35.652 1.00 3.30 O ATOM 320 CB GLN A 21 -8.922 -2.676 37.284 1.00 41.11 C ATOM 321 CG GLN A 21 -10.193 -2.615 36.451 1.00 63.45 C ATOM 322 CD GLN A 21 -11.361 -2.025 37.217 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.811 -2.591 38.213 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.859 -0.882 36.756 1.00 51.02 N ATOM 0 H GLN A 21 -7.029 -3.500 38.632 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.333 -4.532 36.379 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.174 -3.006 38.292 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.506 -1.672 37.371 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -10.010 -2.018 35.558 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.452 -3.619 36.116 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.455 -0.447 35.927 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.645 -0.440 37.232 1.00 51.02 H new ATOM 333 N LEU A 22 -7.570 -3.394 34.310 1.00 10.45 N ATOM 334 CA LEU A 22 -7.004 -2.855 33.078 1.00 4.02 C ATOM 335 C LEU A 22 -7.822 -1.672 32.567 1.00 35.51 C ATOM 336 O LEU A 22 -7.266 -0.647 32.170 1.00 71.53 O ATOM 337 CB LEU A 22 -6.926 -3.954 32.016 1.00 12.14 C ATOM 338 CG LEU A 22 -6.480 -5.321 32.541 1.00 25.31 C ATOM 339 CD1 LEU A 22 -6.338 -6.312 31.397 1.00 12.30 C ATOM 340 CD2 LEU A 22 -5.172 -5.192 33.306 1.00 4.03 C ATOM 0 H LEU A 22 -8.269 -4.123 34.169 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.998 -2.495 33.291 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.906 -4.061 31.551 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -6.235 -3.637 31.235 1.00 12.14 H new ATOM 0 HG LEU A 22 -7.243 -5.696 33.223 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -6.020 -7.278 31.790 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -7.297 -6.424 30.891 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.595 -5.946 30.689 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.867 -6.172 33.673 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -4.401 -4.797 32.645 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -5.309 -4.515 34.149 1.00 4.03 H new ATOM 352 N TYR A 23 -9.145 -1.810 32.591 1.00 34.05 N ATOM 353 CA TYR A 23 -10.027 -0.738 32.141 1.00 23.50 C ATOM 354 C TYR A 23 -10.421 0.153 33.320 1.00 25.40 C ATOM 355 O TYR A 23 -10.120 -0.161 34.470 1.00 43.13 O ATOM 356 CB TYR A 23 -11.278 -1.314 31.474 1.00 63.45 C ATOM 357 CG TYR A 23 -11.452 -0.891 30.033 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.402 -0.984 29.130 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.666 -0.398 29.578 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.557 -0.597 27.813 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.832 -0.010 28.263 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.776 -0.110 27.384 1.00 12.35 C ATOM 363 OH TYR A 23 -11.937 0.276 26.071 1.00 2.05 O ATOM 0 H TYR A 23 -9.627 -2.648 32.915 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.491 -0.136 31.408 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -11.235 -2.402 31.521 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -12.156 -1.005 32.042 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.448 -1.365 29.463 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.496 -0.316 30.264 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.730 -0.675 27.123 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.785 0.370 27.925 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.346 -0.257 25.499 1.00 2.05 H new ATOM 373 N PRO A 24 -11.085 1.285 33.052 1.00 32.24 N ATOM 374 CA PRO A 24 -11.505 2.229 34.084 1.00 11.05 C ATOM 375 C PRO A 24 -12.933 1.991 34.568 1.00 1.33 C ATOM 376 O PRO A 24 -13.593 1.039 34.157 1.00 21.12 O ATOM 377 CB PRO A 24 -11.443 3.539 33.317 1.00 65.33 C ATOM 378 CG PRO A 24 -11.975 3.162 31.978 1.00 43.20 C ATOM 379 CD PRO A 24 -11.471 1.764 31.712 1.00 63.42 C ATOM 0 HA PRO A 24 -10.894 2.169 34.985 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -12.048 4.313 33.789 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.425 3.923 33.254 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -13.065 3.193 31.968 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.629 3.855 31.211 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -12.242 1.136 31.266 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.625 1.765 31.025 1.00 63.42 H new ATOM 387 N GLY A 25 -13.400 2.895 35.427 1.00 62.31 N ATOM 388 CA GLY A 25 -14.755 2.830 35.961 1.00 55.53 C ATOM 389 C GLY A 25 -15.274 1.427 36.211 1.00 61.45 C ATOM 390 O GLY A 25 -14.530 0.538 36.628 1.00 31.03 O ATOM 0 H GLY A 25 -12.854 3.686 35.769 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.788 3.387 36.898 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.428 3.333 35.267 1.00 55.53 H new ATOM 394 N GLU A 26 -16.569 1.247 35.969 1.00 34.32 N ATOM 395 CA GLU A 26 -17.231 -0.038 36.177 1.00 25.33 C ATOM 396 C GLU A 26 -16.861 -1.033 35.086 1.00 14.12 C ATOM 397 O GLU A 26 -16.655 -2.217 35.354 1.00 61.02 O ATOM 398 CB GLU A 26 -18.750 0.153 36.214 1.00 60.13 C ATOM 399 CG GLU A 26 -19.369 -0.143 37.569 1.00 32.34 C ATOM 400 CD GLU A 26 -19.867 -1.570 37.682 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.193 -2.477 37.151 1.00 61.30 O ATOM 402 OE2 GLU A 26 -20.932 -1.780 38.300 1.00 44.40 O ATOM 0 H GLU A 26 -17.186 1.982 35.625 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.893 -0.440 37.132 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.985 1.180 35.933 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -19.207 -0.495 35.466 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -18.632 0.044 38.350 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -20.198 0.542 37.743 1.00 32.34 H new ATOM 409 N LEU A 27 -16.783 -0.544 33.856 1.00 43.20 N ATOM 410 CA LEU A 27 -16.441 -1.390 32.722 1.00 70.03 C ATOM 411 C LEU A 27 -15.217 -2.243 33.028 1.00 3.24 C ATOM 412 O LEU A 27 -15.256 -3.466 32.921 1.00 43.43 O ATOM 413 CB LEU A 27 -16.178 -0.529 31.490 1.00 42.54 C ATOM 414 CG LEU A 27 -16.765 -1.066 30.188 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.312 -2.495 29.937 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.285 -0.964 30.200 1.00 51.13 C ATOM 0 H LEU A 27 -16.952 0.433 33.619 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.282 -2.055 32.526 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.582 0.467 31.669 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -15.101 -0.418 31.366 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.394 -0.452 29.368 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.744 -2.855 29.003 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -15.225 -2.525 29.869 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.642 -3.131 30.758 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.683 -1.352 29.263 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.682 -1.546 31.032 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.579 0.079 30.315 1.00 51.13 H new ATOM 428 N GLY A 28 -14.131 -1.588 33.415 1.00 3.43 N ATOM 429 CA GLY A 28 -12.917 -2.310 33.738 1.00 70.33 C ATOM 430 C GLY A 28 -13.123 -3.283 34.877 1.00 53.45 C ATOM 431 O GLY A 28 -12.452 -4.310 34.953 1.00 64.53 O ATOM 0 H GLY A 28 -14.069 -0.574 33.511 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.572 -2.851 32.857 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -12.133 -1.601 34.004 1.00 70.33 H new ATOM 435 N LYS A 29 -14.066 -2.964 35.757 1.00 41.30 N ATOM 436 CA LYS A 29 -14.371 -3.829 36.890 1.00 11.31 C ATOM 437 C LYS A 29 -14.829 -5.201 36.402 1.00 74.12 C ATOM 438 O LYS A 29 -14.254 -6.226 36.766 1.00 50.10 O ATOM 439 CB LYS A 29 -15.457 -3.193 37.765 1.00 13.40 C ATOM 440 CG LYS A 29 -15.141 -3.223 39.252 1.00 74.43 C ATOM 441 CD LYS A 29 -14.519 -1.914 39.718 1.00 54.40 C ATOM 442 CE LYS A 29 -14.527 -1.802 41.235 1.00 33.14 C ATOM 443 NZ LYS A 29 -13.216 -1.334 41.767 1.00 73.52 N ATOM 0 H LYS A 29 -14.630 -2.116 35.708 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.466 -3.953 37.485 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.601 -2.158 37.454 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.400 -3.712 37.593 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -16.055 -3.413 39.815 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -14.459 -4.046 39.463 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -13.494 -1.846 39.353 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -15.067 -1.076 39.287 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -15.311 -1.110 41.543 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -14.769 -2.772 41.669 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -13.265 -1.271 42.804 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -12.471 -2.007 41.495 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -12.996 -0.397 41.374 1.00 73.52 H new ATOM 457 N ARG A 30 -15.874 -5.207 35.579 1.00 14.42 N ATOM 458 CA ARG A 30 -16.425 -6.448 35.037 1.00 74.43 C ATOM 459 C ARG A 30 -15.399 -7.192 34.183 1.00 51.04 C ATOM 460 O ARG A 30 -15.338 -8.415 34.222 1.00 65.32 O ATOM 461 CB ARG A 30 -17.697 -6.181 34.226 1.00 42.34 C ATOM 462 CG ARG A 30 -17.581 -5.019 33.255 1.00 12.00 C ATOM 463 CD ARG A 30 -18.952 -4.500 32.840 1.00 64.35 C ATOM 464 NE ARG A 30 -18.987 -4.096 31.433 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.816 -4.609 30.520 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.702 -5.539 30.855 1.00 71.24 N ATOM 467 NH2 ARG A 30 -19.756 -4.188 29.263 1.00 70.40 N ATOM 0 H ARG A 30 -16.358 -4.364 35.271 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.683 -7.082 35.885 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.956 -7.082 33.669 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.519 -5.985 34.914 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -17.010 -4.213 33.717 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -17.028 -5.336 32.371 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -19.699 -5.274 33.013 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.222 -3.650 33.467 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.334 -3.374 31.129 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.755 -5.869 31.819 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.330 -5.923 30.149 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.078 -3.474 28.996 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -20.388 -4.578 28.564 1.00 70.40 H new ATOM 481 N ILE A 31 -14.590 -6.462 33.416 1.00 42.52 N ATOM 482 CA ILE A 31 -13.572 -7.098 32.577 1.00 44.44 C ATOM 483 C ILE A 31 -12.539 -7.783 33.446 1.00 73.55 C ATOM 484 O ILE A 31 -12.392 -9.002 33.427 1.00 62.43 O ATOM 485 CB ILE A 31 -12.846 -6.092 31.668 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.840 -5.195 30.937 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.965 -6.825 30.669 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.301 -3.814 30.662 1.00 24.11 C ATOM 0 H ILE A 31 -14.617 -5.444 33.357 1.00 42.52 H new ATOM 0 HA ILE A 31 -14.093 -7.819 31.947 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.219 -5.460 32.297 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -14.118 -5.664 29.993 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.750 -5.111 31.531 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.457 -6.101 30.032 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -11.225 -7.420 31.204 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.581 -7.481 30.053 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -14.056 -3.226 30.140 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -13.049 -3.327 31.604 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.407 -3.889 30.042 1.00 24.11 H new ATOM 500 N TYR A 32 -11.844 -6.981 34.228 1.00 64.50 N ATOM 501 CA TYR A 32 -10.836 -7.488 35.136 1.00 23.32 C ATOM 502 C TYR A 32 -11.438 -8.571 36.041 1.00 71.21 C ATOM 503 O TYR A 32 -10.712 -9.356 36.649 1.00 4.24 O ATOM 504 CB TYR A 32 -10.253 -6.322 35.950 1.00 61.31 C ATOM 505 CG TYR A 32 -9.912 -6.644 37.387 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.909 -6.748 38.349 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.594 -6.834 37.783 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.602 -7.031 39.665 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.278 -7.116 39.098 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.284 -7.214 40.035 1.00 75.01 C ATOM 511 OH TYR A 32 -8.975 -7.493 41.348 1.00 23.44 O ATOM 0 H TYR A 32 -11.961 -5.968 34.252 1.00 64.50 H new ATOM 0 HA TYR A 32 -10.025 -7.949 34.572 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.351 -5.967 35.451 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.968 -5.500 35.939 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.941 -6.605 38.063 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.803 -6.760 37.051 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.388 -7.109 40.401 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.248 -7.259 39.390 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.005 -7.594 41.441 1.00 23.44 H new ATOM 521 N ASN A 33 -12.774 -8.600 36.131 1.00 73.34 N ATOM 522 CA ASN A 33 -13.458 -9.583 36.972 1.00 54.32 C ATOM 523 C ASN A 33 -13.962 -10.799 36.182 1.00 71.34 C ATOM 524 O ASN A 33 -13.726 -11.941 36.577 1.00 44.01 O ATOM 525 CB ASN A 33 -14.640 -8.927 37.687 1.00 0.31 C ATOM 526 CG ASN A 33 -14.226 -8.222 38.961 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.378 -8.711 39.708 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.826 -7.066 39.216 1.00 61.25 N ATOM 0 H ASN A 33 -13.395 -7.960 35.636 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.723 -9.941 37.693 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.114 -8.210 37.016 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.386 -9.686 37.921 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.590 -6.544 40.060 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.523 -6.699 38.568 1.00 61.25 H new ATOM 535 N GLU A 34 -14.692 -10.552 35.097 1.00 11.44 N ATOM 536 CA GLU A 34 -15.263 -11.634 34.292 1.00 12.01 C ATOM 537 C GLU A 34 -14.419 -11.971 33.064 1.00 33.04 C ATOM 538 O GLU A 34 -14.542 -13.056 32.506 1.00 14.34 O ATOM 539 CB GLU A 34 -16.684 -11.268 33.858 1.00 14.34 C ATOM 540 CG GLU A 34 -17.602 -10.936 35.020 1.00 71.44 C ATOM 541 CD GLU A 34 -17.854 -12.127 35.923 1.00 43.43 C ATOM 542 OE1 GLU A 34 -17.602 -13.269 35.484 1.00 51.51 O ATOM 543 OE2 GLU A 34 -18.304 -11.918 37.068 1.00 60.04 O ATOM 0 H GLU A 34 -14.903 -9.615 34.754 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.279 -12.523 34.923 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.641 -10.413 33.183 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.109 -12.098 33.294 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.163 -10.128 35.605 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.553 -10.570 34.634 1.00 71.44 H new ATOM 550 N ILE A 35 -13.567 -11.050 32.641 1.00 41.23 N ATOM 551 CA ILE A 35 -12.715 -11.282 31.482 1.00 15.01 C ATOM 552 C ILE A 35 -11.296 -11.643 31.917 1.00 22.10 C ATOM 553 O ILE A 35 -10.600 -10.833 32.528 1.00 72.42 O ATOM 554 CB ILE A 35 -12.685 -10.051 30.546 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.093 -9.748 30.014 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.725 -10.273 29.383 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.836 -10.976 29.542 1.00 44.35 C ATOM 0 H ILE A 35 -13.446 -10.137 33.080 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.139 -12.120 30.928 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.333 -9.197 31.125 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.672 -9.262 30.799 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.016 -9.040 29.189 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.723 -9.393 28.740 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.720 -10.444 29.768 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.045 -11.142 28.808 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.823 -10.687 29.180 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.278 -11.451 28.735 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.944 -11.677 30.370 1.00 44.35 H new ATOM 569 N SER A 36 -10.880 -12.867 31.604 1.00 32.24 N ATOM 570 CA SER A 36 -9.550 -13.345 31.967 1.00 70.31 C ATOM 571 C SER A 36 -8.497 -12.856 30.977 1.00 1.11 C ATOM 572 O SER A 36 -8.829 -12.282 29.937 1.00 2.44 O ATOM 573 CB SER A 36 -9.535 -14.874 32.024 1.00 53.15 C ATOM 574 OG SER A 36 -9.744 -15.437 30.738 1.00 41.34 O ATOM 0 H SER A 36 -11.447 -13.547 31.098 1.00 32.24 H new ATOM 0 HA SER A 36 -9.308 -12.943 32.951 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.580 -15.216 32.423 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.310 -15.223 32.707 1.00 53.15 H new ATOM 0 HG SER A 36 -10.696 -15.391 30.512 1.00 41.34 H new ATOM 580 N LYS A 37 -7.228 -13.088 31.305 1.00 42.00 N ATOM 581 CA LYS A 37 -6.126 -12.674 30.443 1.00 52.25 C ATOM 582 C LYS A 37 -6.229 -13.337 29.071 1.00 52.31 C ATOM 583 O LYS A 37 -5.849 -12.752 28.057 1.00 14.05 O ATOM 584 CB LYS A 37 -4.781 -13.022 31.088 1.00 71.22 C ATOM 585 CG LYS A 37 -4.566 -12.375 32.449 1.00 2.54 C ATOM 586 CD LYS A 37 -3.305 -11.524 32.476 1.00 32.52 C ATOM 587 CE LYS A 37 -3.141 -10.807 33.809 1.00 55.32 C ATOM 588 NZ LYS A 37 -3.054 -9.327 33.644 1.00 43.10 N ATOM 0 H LYS A 37 -6.938 -13.560 32.161 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.189 -11.594 30.313 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.709 -14.104 31.195 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.977 -12.714 30.419 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -5.428 -11.756 32.698 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -4.499 -13.149 33.213 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.435 -12.155 32.292 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -3.343 -10.791 31.670 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -3.983 -11.050 34.457 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.241 -11.169 34.307 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -3.503 -8.860 34.457 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -2.055 -9.042 33.589 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -3.543 -9.046 32.770 1.00 43.10 H new ATOM 602 N GLU A 38 -6.745 -14.564 29.048 1.00 41.40 N ATOM 603 CA GLU A 38 -6.894 -15.305 27.801 1.00 54.20 C ATOM 604 C GLU A 38 -7.835 -14.579 26.847 1.00 31.43 C ATOM 605 O GLU A 38 -7.522 -14.396 25.670 1.00 60.21 O ATOM 606 CB GLU A 38 -7.416 -16.716 28.081 1.00 41.40 C ATOM 607 CG GLU A 38 -6.644 -17.805 27.353 1.00 62.41 C ATOM 608 CD GLU A 38 -5.413 -18.258 28.116 1.00 30.14 C ATOM 609 OE1 GLU A 38 -5.492 -18.372 29.357 1.00 72.33 O ATOM 610 OE2 GLU A 38 -4.370 -18.497 27.470 1.00 54.15 O ATOM 0 H GLU A 38 -7.066 -15.064 29.877 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.914 -15.377 27.329 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.371 -16.905 29.154 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.465 -16.770 27.792 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.299 -18.660 27.187 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -6.344 -17.438 26.371 1.00 62.41 H new ATOM 617 N ALA A 39 -8.989 -14.166 27.361 1.00 51.41 N ATOM 618 CA ALA A 39 -9.973 -13.456 26.553 1.00 63.44 C ATOM 619 C ALA A 39 -9.484 -12.056 26.206 1.00 13.12 C ATOM 620 O ALA A 39 -9.628 -11.601 25.073 1.00 44.04 O ATOM 621 CB ALA A 39 -11.308 -13.391 27.282 1.00 12.31 C ATOM 0 H ALA A 39 -9.265 -14.311 28.332 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.111 -14.005 25.622 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.033 -12.858 26.667 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.668 -14.402 27.473 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.180 -12.866 28.229 1.00 12.31 H new ATOM 627 N TRP A 40 -8.896 -11.378 27.189 1.00 21.45 N ATOM 628 CA TRP A 40 -8.375 -10.032 26.982 1.00 64.40 C ATOM 629 C TRP A 40 -7.373 -10.025 25.836 1.00 11.24 C ATOM 630 O TRP A 40 -7.373 -9.121 25.002 1.00 3.30 O ATOM 631 CB TRP A 40 -7.713 -9.513 28.261 1.00 22.34 C ATOM 632 CG TRP A 40 -7.452 -8.035 28.251 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.241 -7.417 28.366 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.425 -6.990 28.124 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.401 -6.053 28.320 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.732 -5.764 28.174 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.814 -6.971 27.972 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.384 -4.534 28.081 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.457 -5.751 27.878 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.743 -4.549 27.933 1.00 72.40 C ATOM 0 H TRP A 40 -8.769 -11.739 28.135 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.207 -9.375 26.727 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.350 -9.754 29.112 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.769 -10.038 28.410 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.295 -7.926 28.477 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.650 -5.366 28.384 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.375 -7.893 27.929 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.836 -3.605 28.124 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.530 -5.725 27.760 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.277 -3.613 27.857 1.00 72.40 H new ATOM 651 N ALA A 41 -6.529 -11.053 25.794 1.00 22.20 N ATOM 652 CA ALA A 41 -5.528 -11.177 24.743 1.00 53.14 C ATOM 653 C ALA A 41 -6.190 -11.168 23.373 1.00 42.33 C ATOM 654 O ALA A 41 -5.713 -10.514 22.445 1.00 53.05 O ATOM 655 CB ALA A 41 -4.715 -12.447 24.938 1.00 23.01 C ATOM 0 H ALA A 41 -6.520 -11.811 26.476 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.854 -10.323 24.801 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.971 -12.528 24.146 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.214 -12.413 25.905 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.377 -13.312 24.903 1.00 23.01 H new ATOM 661 N GLN A 42 -7.300 -11.888 23.256 1.00 45.32 N ATOM 662 CA GLN A 42 -8.039 -11.954 22.004 1.00 24.31 C ATOM 663 C GLN A 42 -8.651 -10.596 21.683 1.00 23.11 C ATOM 664 O GLN A 42 -8.754 -10.206 20.521 1.00 73.11 O ATOM 665 CB GLN A 42 -9.135 -13.018 22.091 1.00 64.34 C ATOM 666 CG GLN A 42 -8.664 -14.322 22.716 1.00 12.21 C ATOM 667 CD GLN A 42 -9.451 -15.524 22.224 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.752 -15.637 21.035 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.787 -16.426 23.138 1.00 44.42 N ATOM 0 H GLN A 42 -7.707 -12.434 24.015 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.349 -12.227 21.205 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.968 -12.624 22.674 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.515 -13.220 21.090 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.607 -14.467 22.491 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.753 -14.254 23.800 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -9.516 -16.291 24.112 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -10.316 -17.255 22.866 1.00 44.42 H new ATOM 678 N TRP A 43 -9.047 -9.876 22.731 1.00 55.12 N ATOM 679 CA TRP A 43 -9.642 -8.557 22.568 1.00 54.33 C ATOM 680 C TRP A 43 -8.583 -7.546 22.136 1.00 32.20 C ATOM 681 O TRP A 43 -8.764 -6.829 21.153 1.00 45.45 O ATOM 682 CB TRP A 43 -10.309 -8.103 23.873 1.00 21.24 C ATOM 683 CG TRP A 43 -10.500 -6.619 23.967 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.967 -5.782 24.903 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.270 -5.795 23.084 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.359 -4.489 24.660 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.159 -4.471 23.549 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.044 -6.046 21.947 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.791 -3.404 22.915 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.673 -4.986 21.320 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.541 -3.680 21.805 1.00 23.41 C ATOM 0 H TRP A 43 -8.966 -10.186 23.699 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.405 -8.617 21.792 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.279 -8.592 23.964 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.703 -8.437 24.716 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.329 -6.092 25.717 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.097 -3.675 25.216 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.149 -7.051 21.565 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.692 -2.395 23.287 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.275 -5.169 20.442 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.042 -2.873 21.292 1.00 23.41 H new ATOM 702 N GLN A 44 -7.476 -7.492 22.875 1.00 51.52 N ATOM 703 CA GLN A 44 -6.389 -6.568 22.558 1.00 3.30 C ATOM 704 C GLN A 44 -6.034 -6.643 21.077 1.00 74.45 C ATOM 705 O GLN A 44 -5.775 -5.624 20.436 1.00 32.54 O ATOM 706 CB GLN A 44 -5.156 -6.881 23.410 1.00 73.54 C ATOM 707 CG GLN A 44 -5.382 -6.701 24.903 1.00 4.42 C ATOM 708 CD GLN A 44 -5.619 -5.254 25.288 1.00 41.44 C ATOM 709 OE1 GLN A 44 -6.575 -4.626 24.830 1.00 2.02 O ATOM 710 NE2 GLN A 44 -4.749 -4.715 26.136 1.00 2.33 N ATOM 0 H GLN A 44 -7.309 -8.075 23.695 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.725 -5.556 22.784 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.845 -7.908 23.220 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.335 -6.237 23.096 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.239 -7.300 25.212 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.516 -7.080 25.446 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -3.971 -5.271 26.491 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.859 -3.745 26.432 1.00 2.33 H new ATOM 719 N HIS A 45 -6.028 -7.860 20.540 1.00 5.13 N ATOM 720 CA HIS A 45 -5.712 -8.071 19.133 1.00 12.51 C ATOM 721 C HIS A 45 -6.771 -7.425 18.243 1.00 52.13 C ATOM 722 O HIS A 45 -6.449 -6.813 17.225 1.00 22.04 O ATOM 723 CB HIS A 45 -5.604 -9.570 18.835 1.00 61.45 C ATOM 724 CG HIS A 45 -5.627 -9.901 17.374 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.485 -10.067 16.617 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.666 -10.093 16.527 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.820 -10.346 15.369 1.00 42.21 C ATOM 728 NE2 HIS A 45 -6.137 -10.368 15.290 1.00 45.21 N ATOM 0 H HIS A 45 -6.238 -8.713 21.058 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.752 -7.602 18.918 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.680 -9.951 19.270 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.426 -10.089 19.328 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.715 -10.040 16.778 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.134 -10.525 14.554 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.676 -10.559 14.445 1.00 45.21 H new ATOM 736 N LYS A 46 -8.032 -7.556 18.640 1.00 55.53 N ATOM 737 CA LYS A 46 -9.132 -6.971 17.883 1.00 40.11 C ATOM 738 C LYS A 46 -9.274 -5.487 18.210 1.00 73.41 C ATOM 739 O LYS A 46 -9.869 -4.726 17.452 1.00 51.20 O ATOM 740 CB LYS A 46 -10.443 -7.700 18.188 1.00 2.14 C ATOM 741 CG LYS A 46 -11.625 -7.198 17.372 1.00 34.23 C ATOM 742 CD LYS A 46 -11.993 -8.170 16.263 1.00 13.22 C ATOM 743 CE LYS A 46 -13.499 -8.278 16.089 1.00 12.15 C ATOM 744 NZ LYS A 46 -14.111 -6.981 15.690 1.00 74.13 N ATOM 0 H LYS A 46 -8.317 -8.061 19.479 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.910 -7.079 16.821 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.309 -8.765 18.000 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.672 -7.590 19.248 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.484 -7.051 18.027 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.383 -6.227 16.940 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.541 -7.843 15.327 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -11.581 -9.153 16.489 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.723 -9.032 15.334 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.948 -8.618 17.022 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -15.128 -7.116 15.517 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.979 -6.286 16.452 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.655 -6.634 14.822 1.00 74.13 H new ATOM 758 N GLN A 47 -8.719 -5.080 19.347 1.00 52.34 N ATOM 759 CA GLN A 47 -8.782 -3.690 19.773 1.00 41.35 C ATOM 760 C GLN A 47 -7.912 -2.809 18.881 1.00 55.42 C ATOM 761 O GLN A 47 -8.371 -1.796 18.354 1.00 61.23 O ATOM 762 CB GLN A 47 -8.335 -3.570 21.232 1.00 50.34 C ATOM 763 CG GLN A 47 -8.346 -2.147 21.755 1.00 75.45 C ATOM 764 CD GLN A 47 -7.841 -2.046 23.181 1.00 54.04 C ATOM 765 OE1 GLN A 47 -8.322 -2.744 24.073 1.00 60.30 O ATOM 766 NE2 GLN A 47 -6.866 -1.172 23.403 1.00 24.34 N ATOM 0 H GLN A 47 -8.220 -5.695 19.990 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.814 -3.349 19.687 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -8.987 -4.182 21.855 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.328 -3.976 21.329 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -7.729 -1.522 21.110 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.361 -1.753 21.704 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -6.497 -0.614 22.633 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.486 -1.059 24.343 1.00 24.34 H new ATOM 775 N THR A 48 -6.649 -3.199 18.726 1.00 2.31 N ATOM 776 CA THR A 48 -5.702 -2.446 17.906 1.00 41.14 C ATOM 777 C THR A 48 -6.237 -2.209 16.495 1.00 32.32 C ATOM 778 O THR A 48 -6.100 -1.114 15.950 1.00 11.51 O ATOM 779 CB THR A 48 -4.363 -3.182 17.831 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.390 -2.385 17.176 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.448 -4.503 17.097 1.00 22.44 C ATOM 0 H THR A 48 -6.256 -4.035 19.159 1.00 2.31 H new ATOM 0 HA THR A 48 -5.560 -1.475 18.381 1.00 41.14 H new ATOM 0 HB THR A 48 -4.080 -3.378 18.865 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.540 -2.871 17.139 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.465 -4.974 17.080 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.155 -5.158 17.607 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.786 -4.330 16.075 1.00 22.44 H new ATOM 789 N MET A 49 -6.837 -3.237 15.900 1.00 63.31 N ATOM 790 CA MET A 49 -7.375 -3.121 14.548 1.00 24.21 C ATOM 791 C MET A 49 -8.663 -2.306 14.542 1.00 40.42 C ATOM 792 O MET A 49 -8.925 -1.549 13.605 1.00 5.35 O ATOM 793 CB MET A 49 -7.629 -4.504 13.943 1.00 25.43 C ATOM 794 CG MET A 49 -8.422 -5.430 14.849 1.00 13.45 C ATOM 795 SD MET A 49 -9.871 -6.131 14.036 1.00 74.20 S ATOM 796 CE MET A 49 -9.099 -7.307 12.928 1.00 41.13 C ATOM 0 H MET A 49 -6.962 -4.154 16.330 1.00 63.31 H new ATOM 0 HA MET A 49 -6.633 -2.604 13.940 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.164 -4.386 13.001 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.672 -4.970 13.710 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.775 -6.239 15.190 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.739 -4.880 15.735 1.00 13.45 H new ATOM 0 HE1 MET A 49 -9.867 -7.824 12.353 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.429 -6.781 12.248 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.530 -8.034 13.508 1.00 41.13 H new ATOM 806 N LEU A 50 -9.464 -2.456 15.593 1.00 10.12 N ATOM 807 CA LEU A 50 -10.718 -1.721 15.700 1.00 72.50 C ATOM 808 C LEU A 50 -10.455 -0.221 15.694 1.00 24.05 C ATOM 809 O LEU A 50 -11.277 0.562 15.230 1.00 31.33 O ATOM 810 CB LEU A 50 -11.470 -2.114 16.973 1.00 35.02 C ATOM 811 CG LEU A 50 -12.305 -3.393 16.874 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.849 -3.785 18.242 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.440 -3.213 15.880 1.00 64.03 C ATOM 0 H LEU A 50 -9.268 -3.077 16.378 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.336 -1.976 14.839 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.747 -2.234 17.780 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.128 -1.292 17.255 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.661 -4.197 16.518 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.440 -4.696 18.151 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.019 -3.957 18.928 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.478 -2.982 18.627 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -14.023 -4.132 15.823 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -14.083 -2.395 16.206 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -13.030 -2.982 14.897 1.00 64.03 H new ATOM 825 N ILE A 51 -9.299 0.173 16.216 1.00 21.21 N ATOM 826 CA ILE A 51 -8.921 1.580 16.270 1.00 51.32 C ATOM 827 C ILE A 51 -8.328 2.038 14.938 1.00 51.43 C ATOM 828 O ILE A 51 -8.635 3.127 14.452 1.00 23.00 O ATOM 829 CB ILE A 51 -7.902 1.834 17.405 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.522 1.473 18.755 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.421 3.282 17.408 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.578 1.667 19.919 1.00 32.24 C ATOM 0 H ILE A 51 -8.606 -0.464 16.609 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.825 2.155 16.470 1.00 51.32 H new ATOM 0 HB ILE A 51 -7.034 1.198 17.230 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.412 2.083 18.913 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.848 0.433 18.730 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.706 3.426 18.218 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.941 3.508 16.456 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.272 3.948 17.552 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.082 1.392 20.846 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.699 1.037 19.783 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.271 2.712 19.969 1.00 32.24 H new ATOM 844 N ASN A 52 -7.472 1.203 14.360 1.00 53.30 N ATOM 845 CA ASN A 52 -6.827 1.523 13.091 1.00 52.52 C ATOM 846 C ASN A 52 -7.809 1.437 11.923 1.00 23.31 C ATOM 847 O ASN A 52 -7.705 2.198 10.960 1.00 63.50 O ATOM 848 CB ASN A 52 -5.643 0.582 12.851 1.00 74.33 C ATOM 849 CG ASN A 52 -4.313 1.224 13.199 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.920 2.229 12.605 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.608 0.645 14.165 1.00 75.53 N ATOM 0 H ASN A 52 -7.208 0.298 14.750 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.468 2.550 13.150 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.774 -0.321 13.447 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.633 0.275 11.805 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.705 1.032 14.440 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.970 -0.187 14.632 1.00 75.53 H new ATOM 858 N GLU A 53 -8.759 0.508 12.007 1.00 22.35 N ATOM 859 CA GLU A 53 -9.748 0.333 10.946 1.00 2.12 C ATOM 860 C GLU A 53 -10.873 1.355 11.071 1.00 0.01 C ATOM 861 O GLU A 53 -11.204 2.044 10.107 1.00 44.44 O ATOM 862 CB GLU A 53 -10.330 -1.081 10.974 1.00 54.44 C ATOM 863 CG GLU A 53 -11.138 -1.426 9.730 1.00 72.53 C ATOM 864 CD GLU A 53 -10.422 -2.408 8.821 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.183 -2.520 8.927 1.00 64.12 O ATOM 866 OE2 GLU A 53 -11.102 -3.066 8.006 1.00 3.25 O ATOM 0 H GLU A 53 -8.865 -0.132 12.794 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.240 0.488 9.994 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.517 -1.799 11.081 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.966 -1.187 11.853 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -12.097 -1.848 10.030 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -11.351 -0.512 9.175 1.00 72.53 H new ATOM 873 N LYS A 54 -11.455 1.452 12.262 1.00 2.21 N ATOM 874 CA LYS A 54 -12.539 2.401 12.499 1.00 51.31 C ATOM 875 C LYS A 54 -11.999 3.827 12.593 1.00 13.10 C ATOM 876 O LYS A 54 -12.766 4.786 12.677 1.00 20.24 O ATOM 877 CB LYS A 54 -13.302 2.052 13.781 1.00 24.31 C ATOM 878 CG LYS A 54 -14.308 0.920 13.618 1.00 71.11 C ATOM 879 CD LYS A 54 -13.627 -0.435 13.487 1.00 44.52 C ATOM 880 CE LYS A 54 -14.291 -1.292 12.418 1.00 52.22 C ATOM 881 NZ LYS A 54 -13.672 -2.644 12.316 1.00 54.31 N ATOM 0 H LYS A 54 -11.197 0.890 13.073 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.225 2.337 11.654 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.585 1.778 14.554 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.826 2.941 14.133 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.980 0.906 14.476 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.921 1.104 12.736 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.575 -0.292 13.239 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.661 -0.955 14.445 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -15.352 -1.396 12.645 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -14.220 -0.788 11.454 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -13.844 -3.034 11.367 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -12.648 -2.570 12.480 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -14.092 -3.273 13.030 1.00 54.31 H new ATOM 895 N LYS A 55 -10.672 3.961 12.582 1.00 43.42 N ATOM 896 CA LYS A 55 -10.036 5.268 12.669 1.00 74.11 C ATOM 897 C LYS A 55 -10.350 5.928 14.008 1.00 31.21 C ATOM 898 O LYS A 55 -10.917 7.020 14.057 1.00 5.25 O ATOM 899 CB LYS A 55 -10.495 6.160 11.511 1.00 72.23 C ATOM 900 CG LYS A 55 -10.408 5.481 10.151 1.00 12.00 C ATOM 901 CD LYS A 55 -11.708 5.619 9.370 1.00 1.15 C ATOM 902 CE LYS A 55 -11.591 6.650 8.260 1.00 24.22 C ATOM 903 NZ LYS A 55 -12.581 7.750 8.422 1.00 61.25 N ATOM 0 H LYS A 55 -10.021 3.179 12.514 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.957 5.134 12.598 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.525 6.471 11.688 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.887 7.065 11.496 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -9.590 5.918 9.577 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -10.174 4.425 10.286 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -11.980 4.654 8.943 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -12.512 5.905 10.049 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -10.583 7.066 8.254 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -11.741 6.165 7.296 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -12.470 8.434 7.646 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -13.543 7.357 8.402 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -12.422 8.229 9.331 1.00 61.25 H new ATOM 917 N LEU A 56 -9.971 5.258 15.097 1.00 30.41 N ATOM 918 CA LEU A 56 -10.203 5.777 16.440 1.00 52.41 C ATOM 919 C LEU A 56 -8.991 6.571 16.925 1.00 51.14 C ATOM 920 O LEU A 56 -8.007 6.718 16.201 1.00 44.51 O ATOM 921 CB LEU A 56 -10.497 4.627 17.411 1.00 75.54 C ATOM 922 CG LEU A 56 -11.795 3.857 17.146 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.006 2.788 18.207 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.987 4.805 17.102 1.00 14.14 C ATOM 0 H LEU A 56 -9.501 4.353 15.072 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.066 6.442 16.406 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.665 3.924 17.377 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.534 5.029 18.423 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.710 3.370 16.175 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.932 2.251 18.003 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.170 2.089 18.190 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.067 3.257 19.189 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.897 4.236 16.913 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.075 5.323 18.057 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.843 5.534 16.305 1.00 14.14 H new ATOM 936 N ASN A 57 -9.066 7.077 18.152 1.00 32.03 N ATOM 937 CA ASN A 57 -7.971 7.851 18.729 1.00 20.43 C ATOM 938 C ASN A 57 -7.993 7.765 20.254 1.00 1.23 C ATOM 939 O ASN A 57 -8.837 8.375 20.911 1.00 1.02 O ATOM 940 CB ASN A 57 -8.056 9.311 18.277 1.00 15.31 C ATOM 941 CG ASN A 57 -6.727 9.836 17.773 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.272 10.906 18.179 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.094 9.083 16.880 1.00 70.12 N ATOM 0 H ASN A 57 -9.873 6.965 18.766 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.030 7.429 18.376 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.803 9.402 17.488 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.395 9.927 19.109 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.195 9.385 16.504 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.507 8.203 16.571 1.00 70.12 H new ATOM 950 N MET A 58 -7.062 6.992 20.804 1.00 5.10 N ATOM 951 CA MET A 58 -6.963 6.804 22.251 1.00 4.22 C ATOM 952 C MET A 58 -6.779 8.130 22.983 1.00 4.32 C ATOM 953 O MET A 58 -7.007 8.215 24.191 1.00 31.45 O ATOM 954 CB MET A 58 -5.800 5.867 22.590 1.00 30.22 C ATOM 955 CG MET A 58 -4.547 6.123 21.766 1.00 34.55 C ATOM 956 SD MET A 58 -4.073 4.710 20.750 1.00 24.45 S ATOM 957 CE MET A 58 -5.606 4.384 19.883 1.00 24.34 C ATOM 0 H MET A 58 -6.360 6.482 20.267 1.00 5.10 H new ATOM 0 HA MET A 58 -7.901 6.359 22.584 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.557 5.973 23.647 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.120 4.836 22.438 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.712 6.987 21.123 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.724 6.375 22.435 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.535 3.427 19.366 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.428 4.351 20.598 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.789 5.176 19.156 1.00 24.34 H new ATOM 967 N MET A 59 -6.361 9.159 22.256 1.00 1.01 N ATOM 968 CA MET A 59 -6.143 10.470 22.852 1.00 74.53 C ATOM 969 C MET A 59 -7.464 11.213 23.039 1.00 71.54 C ATOM 970 O MET A 59 -7.585 12.074 23.910 1.00 44.32 O ATOM 971 CB MET A 59 -5.198 11.294 21.976 1.00 2.02 C ATOM 972 CG MET A 59 -3.727 10.969 22.187 1.00 24.22 C ATOM 973 SD MET A 59 -2.631 12.243 21.533 1.00 11.43 S ATOM 974 CE MET A 59 -1.512 11.253 20.544 1.00 3.04 C ATOM 0 H MET A 59 -6.167 9.111 21.256 1.00 1.01 H new ATOM 0 HA MET A 59 -5.690 10.327 23.833 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.451 11.128 20.929 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.360 12.353 22.179 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.536 10.844 23.253 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.497 10.017 21.708 1.00 24.22 H new ATOM 0 HE1 MET A 59 -0.773 11.901 20.073 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.006 10.529 21.182 1.00 3.04 H new ATOM 0 HE3 MET A 59 -2.076 10.726 19.774 1.00 3.04 H new ATOM 984 N ASN A 60 -8.454 10.869 22.221 1.00 72.24 N ATOM 985 CA ASN A 60 -9.763 11.503 22.306 1.00 13.25 C ATOM 986 C ASN A 60 -10.716 10.664 23.151 1.00 2.34 C ATOM 987 O ASN A 60 -10.965 9.496 22.852 1.00 73.54 O ATOM 988 CB ASN A 60 -10.341 11.711 20.905 1.00 54.23 C ATOM 989 CG ASN A 60 -11.581 12.586 20.905 1.00 60.15 C ATOM 990 OD1 ASN A 60 -12.574 12.273 20.248 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.529 13.690 21.640 1.00 43.22 N ATOM 0 H ASN A 60 -8.374 10.157 21.495 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.644 12.474 22.786 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.582 12.164 20.267 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -10.586 10.742 20.470 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.333 14.317 21.676 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -10.686 13.911 22.169 1.00 43.22 H new ATOM 998 N ALA A 61 -11.243 11.267 24.213 1.00 10.14 N ATOM 999 CA ALA A 61 -12.163 10.575 25.107 1.00 75.00 C ATOM 1000 C ALA A 61 -13.398 10.078 24.360 1.00 54.22 C ATOM 1001 O ALA A 61 -14.020 9.096 24.763 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.575 11.489 26.251 1.00 34.33 C ATOM 0 H ALA A 61 -11.048 12.233 24.474 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.644 9.707 25.513 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.262 10.959 26.911 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.691 11.789 26.813 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.068 12.375 25.850 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.749 10.762 23.273 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.914 10.385 22.477 1.00 72.21 C ATOM 1010 C GLU A 62 -14.695 9.046 21.780 1.00 14.54 C ATOM 1011 O GLU A 62 -15.624 8.250 21.647 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.233 11.466 21.444 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.642 11.367 20.881 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.755 10.325 19.786 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.209 10.557 18.686 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -17.389 9.276 20.027 1.00 50.21 O ATOM 0 H GLU A 62 -13.245 11.577 22.924 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.761 10.284 23.156 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -15.101 12.446 21.902 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.517 11.398 20.625 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -17.335 11.121 21.685 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -16.942 12.338 20.487 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.466 8.798 21.341 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.140 7.545 20.670 1.00 60.41 C ATOM 1025 C HIS A 63 -12.800 6.467 21.691 1.00 12.50 C ATOM 1026 O HIS A 63 -13.156 5.300 21.523 1.00 40.22 O ATOM 1027 CB HIS A 63 -11.975 7.736 19.700 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.381 8.331 18.387 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.513 8.477 17.326 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.575 8.813 17.961 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.150 9.023 16.306 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.403 9.237 16.665 1.00 33.54 N ATOM 0 H HIS A 63 -12.683 9.444 21.437 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.014 7.228 20.101 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.227 8.378 20.165 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.500 6.771 19.521 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.490 8.856 18.533 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.720 9.255 15.343 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -14.126 9.650 16.076 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.114 6.869 22.759 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.732 5.941 23.819 1.00 25.03 C ATOM 1042 C ARG A 64 -12.962 5.222 24.359 1.00 71.40 C ATOM 1043 O ARG A 64 -12.954 4.003 24.540 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.027 6.685 24.952 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.143 5.790 25.804 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.703 5.815 25.319 1.00 61.24 C ATOM 1047 NE ARG A 64 -7.983 4.593 25.673 1.00 14.00 N ATOM 1048 CZ ARG A 64 -6.698 4.560 26.024 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -5.978 5.677 26.059 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.130 3.404 26.334 1.00 33.54 N ATOM 0 H ARG A 64 -11.812 7.831 22.912 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.045 5.205 23.401 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.420 7.485 24.529 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -11.776 7.156 25.589 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.185 6.117 26.843 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.521 4.768 25.775 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.687 5.944 24.237 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.191 6.675 25.750 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.496 3.712 25.650 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -6.409 6.569 25.816 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -4.995 5.642 26.329 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.676 2.543 26.304 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -5.147 3.375 26.603 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.024 5.986 24.598 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.271 5.425 25.098 1.00 31.33 C ATOM 1066 C LYS A 65 -15.857 4.463 24.072 1.00 61.24 C ATOM 1067 O LYS A 65 -16.582 3.533 24.421 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.277 6.535 25.417 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.555 7.459 24.242 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.043 7.726 24.076 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.684 6.730 23.124 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.549 7.401 22.115 1.00 60.30 N ATOM 0 H LYS A 65 -14.044 6.995 24.453 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.061 4.880 26.018 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.214 6.083 25.743 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -15.901 7.126 26.252 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.030 8.403 24.389 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.161 7.014 23.328 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.534 7.671 25.047 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.193 8.738 23.700 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -17.905 6.163 22.614 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -19.278 6.015 23.693 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.967 6.686 21.486 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.308 7.922 22.600 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -18.977 8.065 21.554 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.527 4.689 22.802 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.009 3.835 21.728 1.00 65.44 C ATOM 1088 C LEU A 66 -15.447 2.429 21.887 1.00 64.34 C ATOM 1089 O LEU A 66 -16.182 1.444 21.818 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.617 4.406 20.364 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.577 4.056 19.224 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.386 5.277 18.810 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.811 3.495 18.036 1.00 64.02 C ATOM 0 H LEU A 66 -14.929 5.456 22.496 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.097 3.793 21.783 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.551 5.491 20.445 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.622 4.044 20.106 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.268 3.292 19.580 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.062 5.007 17.999 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.965 5.635 19.661 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.711 6.064 18.473 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.509 3.252 17.235 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.096 4.237 17.681 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.278 2.594 18.339 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.140 2.342 22.126 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.491 1.052 22.324 1.00 22.20 C ATOM 1107 C LEU A 67 -14.232 0.276 23.400 1.00 1.33 C ATOM 1108 O LEU A 67 -14.470 -0.925 23.275 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.032 1.249 22.750 1.00 1.32 C ATOM 1110 CG LEU A 67 -10.981 1.111 21.645 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.626 0.808 22.257 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.364 0.025 20.648 1.00 25.32 C ATOM 0 H LEU A 67 -13.515 3.145 22.187 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.512 0.497 21.386 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.935 2.240 23.193 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.803 0.526 23.533 1.00 1.32 H new ATOM 0 HG LEU A 67 -10.929 2.056 21.104 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -8.883 0.711 21.466 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.340 1.619 22.926 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.681 -0.124 22.819 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.597 -0.048 19.877 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.449 -0.930 21.166 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.320 0.275 20.187 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.599 0.992 24.453 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.327 0.411 25.566 1.00 31.11 C ATOM 1126 C GLU A 68 -16.608 -0.266 25.081 1.00 33.44 C ATOM 1127 O GLU A 68 -17.129 -1.173 25.730 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.657 1.503 26.583 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.343 0.986 27.826 1.00 52.31 C ATOM 1130 CD GLU A 68 -17.600 1.760 28.171 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -18.660 1.463 27.581 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -17.524 2.663 29.030 1.00 60.33 O ATOM 0 H GLU A 68 -14.401 1.987 24.558 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.703 -0.347 26.039 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.736 2.010 26.871 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.296 2.248 26.109 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.597 -0.065 27.685 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -15.649 1.036 28.665 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.105 0.183 23.930 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.321 -0.370 23.346 1.00 31.33 C ATOM 1141 C GLN A 69 -18.032 -1.675 22.613 1.00 54.04 C ATOM 1142 O GLN A 69 -18.746 -2.664 22.781 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.944 0.635 22.372 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.268 0.175 21.781 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.350 -0.001 22.829 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -22.146 0.907 23.078 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.386 -1.174 23.451 1.00 70.13 N ATOM 0 H GLN A 69 -16.680 0.932 23.383 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.020 -0.573 24.157 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -19.097 1.582 22.890 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.241 0.825 21.561 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.601 0.901 21.040 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.118 -0.769 21.258 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.708 -1.898 23.214 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.092 -1.351 24.166 1.00 70.13 H new ATOM 1156 N GLU A 70 -16.990 -1.667 21.789 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.617 -2.847 21.020 1.00 33.15 C ATOM 1158 C GLU A 70 -16.201 -3.998 21.931 1.00 4.01 C ATOM 1159 O GLU A 70 -16.628 -5.136 21.735 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.481 -2.511 20.051 1.00 60.04 C ATOM 1161 CG GLU A 70 -15.955 -1.846 18.768 1.00 12.23 C ATOM 1162 CD GLU A 70 -14.979 -0.806 18.255 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -14.279 -0.188 19.083 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -14.918 -0.606 17.023 1.00 22.20 O ATOM 0 H GLU A 70 -16.389 -0.857 21.637 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.492 -3.164 20.453 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.770 -1.853 20.551 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -14.945 -3.427 19.800 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.104 -2.607 18.002 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -16.923 -1.376 18.943 1.00 12.23 H new ATOM 1171 N MET A 71 -15.362 -3.702 22.922 1.00 72.11 N ATOM 1172 CA MET A 71 -14.892 -4.726 23.854 1.00 42.11 C ATOM 1173 C MET A 71 -16.046 -5.610 24.331 1.00 0.22 C ATOM 1174 O MET A 71 -15.880 -6.815 24.517 1.00 15.12 O ATOM 1175 CB MET A 71 -14.171 -4.082 25.048 1.00 44.14 C ATOM 1176 CG MET A 71 -15.055 -3.833 26.260 1.00 2.34 C ATOM 1177 SD MET A 71 -14.386 -2.576 27.363 1.00 23.31 S ATOM 1178 CE MET A 71 -12.655 -3.039 27.395 1.00 23.35 C ATOM 0 H MET A 71 -14.995 -2.767 23.100 1.00 72.11 H new ATOM 0 HA MET A 71 -14.181 -5.361 23.325 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.342 -4.724 25.345 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.740 -3.133 24.727 1.00 44.14 H new ATOM 0 HG2 MET A 71 -16.046 -3.526 25.925 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.179 -4.765 26.811 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.213 -2.730 28.342 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.565 -4.120 27.288 1.00 23.35 H new ATOM 0 HE3 MET A 71 -12.132 -2.549 26.574 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.216 -5.005 24.517 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.392 -5.749 24.959 1.00 11.44 C ATOM 1190 C VAL A 72 -18.788 -6.789 23.919 1.00 55.10 C ATOM 1191 O VAL A 72 -18.777 -7.988 24.188 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.599 -4.821 25.209 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.769 -5.602 25.798 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.209 -3.668 26.119 1.00 54.21 C ATOM 0 H VAL A 72 -17.375 -4.008 24.370 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.122 -6.236 25.896 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.915 -4.408 24.251 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.609 -4.928 25.966 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.068 -6.388 25.104 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.468 -6.049 26.745 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.074 -3.025 26.283 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.862 -4.060 27.075 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.411 -3.090 25.653 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.135 -6.318 22.726 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.538 -7.201 21.634 1.00 33.53 C ATOM 1206 C ASN A 73 -18.529 -8.330 21.422 1.00 45.13 C ATOM 1207 O ASN A 73 -18.852 -9.354 20.818 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.699 -6.395 20.343 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.996 -6.709 19.624 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.046 -7.593 18.767 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.055 -5.983 19.965 1.00 43.31 N ATOM 0 H ASN A 73 -19.146 -5.326 22.489 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.493 -7.652 21.904 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.664 -5.331 20.576 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.859 -6.604 19.680 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -22.954 -6.148 19.512 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -21.969 -5.261 20.680 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.306 -8.139 21.907 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.263 -9.145 21.756 1.00 43.41 C ATOM 1220 C PHE A 74 -16.175 -10.054 22.982 1.00 53.44 C ATOM 1221 O PHE A 74 -16.146 -11.278 22.854 1.00 24.31 O ATOM 1222 CB PHE A 74 -14.910 -8.471 21.520 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.874 -9.396 20.945 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.123 -10.218 21.772 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -13.654 -9.443 19.580 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -12.172 -11.070 21.242 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -12.703 -10.292 19.046 1.00 1.20 C ATOM 1228 CZ PHE A 74 -11.962 -11.107 19.878 1.00 14.42 C ATOM 0 H PHE A 74 -17.014 -7.299 22.406 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.522 -9.760 20.894 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.046 -7.626 20.845 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.543 -8.069 22.464 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -13.283 -10.192 22.840 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -14.232 -8.809 18.924 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -11.593 -11.707 21.895 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -12.540 -10.318 17.979 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.219 -11.772 19.463 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.100 -9.449 24.164 1.00 52.12 N ATOM 1239 CA LEU A 75 -15.980 -10.206 25.408 1.00 13.42 C ATOM 1240 C LEU A 75 -17.293 -10.277 26.187 1.00 31.53 C ATOM 1241 O LEU A 75 -17.648 -11.325 26.725 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.898 -9.577 26.284 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.580 -9.283 25.564 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.031 -7.925 25.977 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.565 -10.382 25.843 1.00 74.13 C ATOM 0 H LEU A 75 -16.120 -8.437 24.287 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.711 -11.228 25.140 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.283 -8.647 26.701 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.697 -10.243 27.123 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.773 -9.258 24.492 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.094 -7.737 25.453 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.752 -7.148 25.722 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.854 -7.916 27.052 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.633 -10.157 25.323 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.378 -10.441 26.915 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.956 -11.336 25.490 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.997 -9.154 26.267 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.252 -9.091 27.011 1.00 61.03 C ATOM 1259 C PHE A 76 -20.467 -9.143 26.102 1.00 53.21 C ATOM 1260 O PHE A 76 -21.513 -8.583 26.426 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.328 -7.814 27.803 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.191 -7.633 28.742 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -16.978 -7.166 28.280 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -18.334 -7.928 30.084 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -15.923 -6.993 29.140 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -17.283 -7.755 30.953 1.00 73.25 C ATOM 1267 CZ PHE A 76 -16.076 -7.287 30.480 1.00 10.35 C ATOM 0 H PHE A 76 -17.722 -8.276 25.827 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.262 -9.961 27.667 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.359 -6.970 27.114 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.261 -7.800 28.367 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -16.858 -6.934 27.232 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -19.279 -8.298 30.453 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -14.976 -6.628 28.770 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -17.403 -7.985 32.001 1.00 73.25 H new ATOM 0 HZ PHE A 76 -15.248 -7.150 31.159 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.322 -9.787 24.968 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.412 -9.894 23.999 1.00 1.24 C ATOM 1279 C GLU A 77 -22.582 -10.710 24.553 1.00 64.35 C ATOM 1280 O GLU A 77 -23.181 -11.517 23.844 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.913 -10.527 22.703 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.760 -10.172 21.492 1.00 55.43 C ATOM 1283 CD GLU A 77 -22.629 -11.326 21.031 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -22.081 -12.288 20.454 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -23.858 -11.268 21.247 1.00 31.00 O ATOM 0 H GLU A 77 -19.459 -10.250 24.683 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.767 -8.884 23.796 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.886 -10.209 22.524 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.896 -11.611 22.820 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.394 -9.319 21.734 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.108 -9.864 20.675 1.00 55.43 H new ATOM 1292 N GLY A 78 -22.904 -10.487 25.821 1.00 23.53 N ATOM 1293 CA GLY A 78 -23.995 -11.191 26.454 1.00 62.55 C ATOM 1294 C GLY A 78 -24.798 -10.290 27.371 1.00 72.21 C ATOM 1295 O GLY A 78 -26.007 -10.470 27.524 1.00 64.15 O ATOM 0 H GLY A 78 -22.421 -9.823 26.425 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.651 -11.606 25.689 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.601 -12.031 27.026 1.00 62.55 H new