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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= 0.587 K(o=0.59,f=-0.27) USER MOD Set 2.1: A 8 CYS SG : rot 11:sc= -2.89! USER MOD Set 2.2: A 36 SER OG : rot -76:sc= 0.181 USER MOD Single : A 5 THR OG1 : rot 19:sc= 0.445 USER MOD Single : A 18 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.8!) USER MOD Single : A 21 GLN : amide:sc= -0.427 K(o=-0.43,f=-3.1!) USER MOD Single : A 23 TYR OH : rot 180:sc=-0.00581 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= -0.0792 K(o=-0.079,f=-0.73) USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= -0.383 (180deg=-1.55!) USER MOD Single : A 42 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.8!) USER MOD Single : A 44 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 45 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.0051) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.59! C(o=-1.6!,f=-2.5!) 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= -0.286 K(o=-0.29,f=-2.5!) USER MOD Single : A 54 LYS NZ :NH3+ -102:sc= -0.626 (180deg=-2.26!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.14 F(o=-1.9,f=-0.14) USER MOD Single : A 58 MET CE :methyl -170:sc= -9.96! (180deg=-10.9!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-6.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -162:sc= -4.14 (180deg=-5.33!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.460 -18.338 40.887 1.00 61.43 N ATOM 63 CA THR A 5 -9.015 -18.423 39.541 1.00 75.42 C ATOM 64 C THR A 5 -10.336 -17.665 39.449 1.00 53.15 C ATOM 65 O THR A 5 -10.891 -17.242 40.463 1.00 32.22 O ATOM 66 CB THR A 5 -9.228 -19.887 39.148 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.182 -20.700 39.648 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.303 -20.101 37.651 1.00 34.41 C ATOM 0 HA THR A 5 -8.305 -17.966 38.852 1.00 75.42 H new ATOM 0 HB THR A 5 -10.186 -20.166 39.586 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.720 -20.229 40.373 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.455 -21.160 37.442 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.135 -19.528 37.243 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.373 -19.770 37.189 1.00 34.41 H new ATOM 76 N ILE A 6 -10.840 -17.508 38.229 1.00 1.53 N ATOM 77 CA ILE A 6 -12.103 -16.814 38.006 1.00 33.41 C ATOM 78 C ILE A 6 -12.925 -17.526 36.941 1.00 11.10 C ATOM 79 O ILE A 6 -12.466 -18.493 36.335 1.00 72.21 O ATOM 80 CB ILE A 6 -11.886 -15.344 37.577 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.231 -15.267 36.192 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.040 -14.610 38.606 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.535 -13.983 35.453 1.00 23.21 C ATOM 0 H ILE A 6 -10.393 -17.852 37.379 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.640 -16.822 38.955 1.00 33.41 H new ATOM 0 HB ILE A 6 -12.861 -14.861 37.518 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.151 -15.366 36.303 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.569 -16.112 35.591 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -10.897 -13.577 38.289 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.546 -14.627 39.571 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.070 -15.100 38.696 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.040 -13.996 34.482 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.612 -13.891 35.311 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.172 -13.135 36.033 1.00 23.21 H new ATOM 95 N PHE A 7 -14.132 -17.034 36.706 1.00 13.34 N ATOM 96 CA PHE A 7 -15.005 -17.614 35.697 1.00 50.22 C ATOM 97 C PHE A 7 -15.152 -16.660 34.523 1.00 42.14 C ATOM 98 O PHE A 7 -15.935 -15.711 34.576 1.00 72.41 O ATOM 99 CB PHE A 7 -16.377 -17.934 36.288 1.00 50.24 C ATOM 100 CG PHE A 7 -17.078 -19.058 35.584 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.606 -20.357 35.682 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.209 -18.815 34.823 1.00 40.51 C ATOM 103 CE1 PHE A 7 -17.249 -21.394 35.033 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.857 -19.848 34.172 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.377 -21.138 34.278 1.00 21.53 C ATOM 0 H PHE A 7 -14.529 -16.235 37.200 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.556 -18.543 35.347 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.261 -18.190 37.341 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.001 -17.041 36.244 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.725 -20.562 36.273 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.589 -17.808 34.737 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.870 -22.402 35.116 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.738 -19.646 33.581 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.883 -21.946 33.771 1.00 21.53 H new ATOM 115 N CYS A 8 -14.389 -16.908 33.465 1.00 31.32 N ATOM 116 CA CYS A 8 -14.433 -16.058 32.285 1.00 54.41 C ATOM 117 C CYS A 8 -15.799 -16.144 31.602 1.00 65.22 C ATOM 118 O CYS A 8 -16.416 -17.208 31.572 1.00 34.32 O ATOM 119 CB CYS A 8 -13.321 -16.451 31.309 1.00 24.25 C ATOM 120 SG CYS A 8 -13.123 -15.315 29.918 1.00 51.15 S ATOM 0 H CYS A 8 -13.735 -17.688 33.401 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.276 -15.026 32.599 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.379 -16.509 31.853 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.528 -17.449 30.922 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.822 -14.240 30.132 1.00 51.15 H new ATOM 126 N THR A 9 -16.267 -15.023 31.053 1.00 52.25 N ATOM 127 CA THR A 9 -17.562 -14.991 30.374 1.00 12.21 C ATOM 128 C THR A 9 -17.392 -15.141 28.862 1.00 43.22 C ATOM 129 O THR A 9 -18.325 -15.528 28.160 1.00 73.23 O ATOM 130 CB THR A 9 -18.315 -13.698 30.695 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.640 -13.756 30.199 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.669 -12.456 30.120 1.00 1.45 C ATOM 0 H THR A 9 -15.773 -14.131 31.065 1.00 52.25 H new ATOM 0 HA THR A 9 -18.149 -15.834 30.740 1.00 12.21 H new ATOM 0 HB THR A 9 -18.296 -13.623 31.782 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.107 -12.922 30.415 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.260 -11.581 30.390 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.661 -12.351 30.521 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.620 -12.541 29.034 1.00 1.45 H new ATOM 140 N PHE A 10 -16.193 -14.840 28.371 1.00 65.32 N ATOM 141 CA PHE A 10 -15.900 -14.949 26.948 1.00 62.40 C ATOM 142 C PHE A 10 -15.755 -16.414 26.556 1.00 73.04 C ATOM 143 O PHE A 10 -16.327 -16.864 25.562 1.00 1.33 O ATOM 144 CB PHE A 10 -14.614 -14.189 26.617 1.00 25.33 C ATOM 145 CG PHE A 10 -14.202 -14.282 25.175 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.872 -13.561 24.201 1.00 62.10 C ATOM 147 CD2 PHE A 10 -13.139 -15.087 24.795 1.00 61.21 C ATOM 148 CE1 PHE A 10 -14.492 -13.639 22.875 1.00 3.30 C ATOM 149 CE2 PHE A 10 -12.756 -15.172 23.470 1.00 51.44 C ATOM 150 CZ PHE A 10 -13.432 -14.446 22.509 1.00 24.22 C ATOM 0 H PHE A 10 -15.409 -14.519 28.939 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.724 -14.512 26.384 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.747 -13.139 26.879 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.807 -14.573 27.240 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.702 -12.930 24.481 1.00 62.10 H new ATOM 0 HD2 PHE A 10 -12.604 -15.654 25.543 1.00 61.21 H new ATOM 0 HE1 PHE A 10 -15.023 -13.070 22.126 1.00 3.30 H new ATOM 0 HE2 PHE A 10 -11.929 -15.806 23.186 1.00 51.44 H new ATOM 0 HZ PHE A 10 -13.133 -14.509 21.473 1.00 24.22 H new ATOM 160 N LEU A 11 -15.003 -17.157 27.359 1.00 73.11 N ATOM 161 CA LEU A 11 -14.795 -18.578 27.115 1.00 31.00 C ATOM 162 C LEU A 11 -15.857 -19.407 27.825 1.00 73.10 C ATOM 163 O LEU A 11 -16.021 -20.594 27.543 1.00 62.15 O ATOM 164 CB LEU A 11 -13.407 -19.014 27.592 1.00 1.01 C ATOM 165 CG LEU A 11 -12.285 -17.999 27.361 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.491 -17.784 28.642 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.371 -18.463 26.237 1.00 2.01 C ATOM 0 H LEU A 11 -14.526 -16.798 28.186 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.870 -18.744 26.040 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.460 -19.235 28.658 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.143 -19.943 27.087 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.732 -17.049 27.070 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.697 -17.060 28.461 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -12.153 -17.409 29.422 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -11.053 -18.730 28.962 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.579 -17.730 26.086 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -10.930 -19.424 26.500 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -11.948 -18.568 25.318 1.00 2.01 H new ATOM 179 N GLN A 12 -16.567 -18.781 28.759 1.00 23.53 N ATOM 180 CA GLN A 12 -17.597 -19.471 29.518 1.00 23.44 C ATOM 181 C GLN A 12 -16.980 -20.627 30.295 1.00 25.43 C ATOM 182 O GLN A 12 -17.547 -21.717 30.367 1.00 51.41 O ATOM 183 CB GLN A 12 -18.698 -19.985 28.589 1.00 53.11 C ATOM 184 CG GLN A 12 -19.640 -18.895 28.105 1.00 64.42 C ATOM 185 CD GLN A 12 -20.467 -18.298 29.228 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.085 -19.021 30.009 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.482 -16.973 29.313 1.00 71.40 N ATOM 0 H GLN A 12 -16.446 -17.799 29.006 1.00 23.53 H new ATOM 0 HA GLN A 12 -18.044 -18.768 30.221 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.239 -20.467 27.726 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.276 -20.748 29.110 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.061 -18.106 27.626 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.306 -19.306 27.347 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.954 -16.413 28.643 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -21.021 -16.515 30.048 1.00 71.40 H new ATOM 196 N ARG A 13 -15.814 -20.370 30.882 1.00 31.42 N ATOM 197 CA ARG A 13 -15.106 -21.375 31.668 1.00 30.23 C ATOM 198 C ARG A 13 -14.385 -20.714 32.838 1.00 63.10 C ATOM 199 O ARG A 13 -14.541 -19.515 33.075 1.00 64.23 O ATOM 200 CB ARG A 13 -14.087 -22.134 30.804 1.00 73.20 C ATOM 201 CG ARG A 13 -14.301 -21.980 29.307 1.00 72.11 C ATOM 202 CD ARG A 13 -13.116 -22.514 28.520 1.00 24.42 C ATOM 203 NE ARG A 13 -13.422 -22.658 27.100 1.00 51.31 N ATOM 204 CZ ARG A 13 -12.498 -22.768 26.149 1.00 21.21 C ATOM 205 NH1 ARG A 13 -11.208 -22.751 26.462 1.00 22.03 N ATOM 206 NH2 ARG A 13 -12.864 -22.897 24.881 1.00 63.21 N ATOM 0 H ARG A 13 -15.338 -19.470 30.827 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.842 -22.085 32.045 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -13.085 -21.786 31.054 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -14.129 -23.193 31.059 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.206 -22.511 29.011 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.455 -20.928 29.066 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -12.267 -21.841 28.641 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -12.817 -23.480 28.926 1.00 24.42 H new ATOM 0 HE ARG A 13 -14.403 -22.675 26.820 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -10.921 -22.653 27.436 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -10.504 -22.836 25.729 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -13.854 -22.912 24.635 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -12.156 -22.981 24.152 1.00 63.21 H new ATOM 220 N GLU A 14 -13.594 -21.496 33.564 1.00 1.13 N ATOM 221 CA GLU A 14 -12.846 -20.976 34.702 1.00 34.13 C ATOM 222 C GLU A 14 -11.388 -20.731 34.327 1.00 14.15 C ATOM 223 O GLU A 14 -10.652 -21.665 34.007 1.00 14.24 O ATOM 224 CB GLU A 14 -12.925 -21.943 35.883 1.00 13.12 C ATOM 225 CG GLU A 14 -13.172 -21.254 37.215 1.00 33.02 C ATOM 226 CD GLU A 14 -13.996 -22.100 38.166 1.00 62.23 C ATOM 227 OE1 GLU A 14 -14.719 -23.000 37.687 1.00 33.53 O ATOM 228 OE2 GLU A 14 -13.919 -21.863 39.390 1.00 65.42 O ATOM 0 H GLU A 14 -13.454 -22.490 33.385 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.294 -20.026 34.993 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.724 -22.662 35.701 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.995 -22.508 35.942 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.215 -21.018 37.681 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.684 -20.307 37.041 1.00 33.02 H new ATOM 235 N ALA A 15 -10.979 -19.468 34.369 1.00 12.03 N ATOM 236 CA ALA A 15 -9.611 -19.093 34.037 1.00 21.22 C ATOM 237 C ALA A 15 -9.046 -18.125 35.070 1.00 54.41 C ATOM 238 O ALA A 15 -9.790 -17.538 35.853 1.00 2.04 O ATOM 239 CB ALA A 15 -9.559 -18.475 32.648 1.00 50.14 C ATOM 0 H ALA A 15 -11.578 -18.685 34.631 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.997 -19.994 34.046 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.532 -18.199 32.411 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.919 -19.197 31.915 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.189 -17.586 32.622 1.00 50.14 H new ATOM 245 N GLU A 16 -7.726 -17.964 35.070 1.00 3.04 N ATOM 246 CA GLU A 16 -7.070 -17.064 36.013 1.00 72.43 C ATOM 247 C GLU A 16 -7.533 -15.625 35.799 1.00 31.24 C ATOM 248 O GLU A 16 -8.024 -15.275 34.725 1.00 54.24 O ATOM 249 CB GLU A 16 -5.546 -17.157 35.868 1.00 40.45 C ATOM 250 CG GLU A 16 -5.008 -16.509 34.600 1.00 2.55 C ATOM 251 CD GLU A 16 -4.274 -17.491 33.705 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.096 -17.791 33.992 1.00 44.31 O ATOM 253 OE2 GLU A 16 -4.878 -17.957 32.715 1.00 45.02 O ATOM 0 H GLU A 16 -7.092 -18.443 34.430 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.346 -17.368 37.023 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -5.079 -16.685 36.732 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.253 -18.207 35.881 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.835 -16.066 34.045 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -4.334 -15.696 34.870 1.00 2.55 H new ATOM 260 N GLY A 17 -7.375 -14.796 36.825 1.00 52.13 N ATOM 261 CA GLY A 17 -7.785 -13.406 36.726 1.00 51.12 C ATOM 262 C GLY A 17 -6.605 -12.455 36.698 1.00 22.35 C ATOM 263 O GLY A 17 -5.474 -12.851 36.980 1.00 53.22 O ATOM 0 H GLY A 17 -6.971 -15.061 37.723 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.380 -13.269 35.823 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.427 -13.159 37.571 1.00 51.12 H new ATOM 267 N GLN A 18 -6.867 -11.198 36.356 1.00 21.14 N ATOM 268 CA GLN A 18 -5.814 -10.193 36.296 1.00 54.11 C ATOM 269 C GLN A 18 -5.483 -9.672 37.689 1.00 43.52 C ATOM 270 O GLN A 18 -6.343 -9.632 38.568 1.00 15.54 O ATOM 271 CB GLN A 18 -6.230 -9.037 35.387 1.00 11.52 C ATOM 272 CG GLN A 18 -6.482 -9.461 33.951 1.00 53.05 C ATOM 273 CD GLN A 18 -7.901 -9.179 33.500 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.200 -8.098 32.993 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.782 -10.153 33.685 1.00 14.32 N ATOM 0 H GLN A 18 -7.796 -10.852 36.117 1.00 21.14 H new ATOM 0 HA GLN A 18 -4.921 -10.662 35.882 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.134 -8.577 35.786 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.451 -8.274 35.402 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -5.786 -8.939 33.295 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.278 -10.527 33.850 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.488 -11.033 34.110 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.753 -10.022 33.403 1.00 14.32 H new ATOM 284 N ASP A 19 -4.230 -9.279 37.883 1.00 30.30 N ATOM 285 CA ASP A 19 -3.780 -8.768 39.172 1.00 31.15 C ATOM 286 C ASP A 19 -4.201 -7.314 39.374 1.00 54.34 C ATOM 287 O ASP A 19 -4.369 -6.861 40.506 1.00 62.12 O ATOM 288 CB ASP A 19 -2.261 -8.885 39.286 1.00 61.25 C ATOM 289 CG ASP A 19 -1.801 -10.320 39.450 1.00 4.21 C ATOM 290 OD1 ASP A 19 -2.282 -11.187 38.690 1.00 32.45 O ATOM 291 OD2 ASP A 19 -0.962 -10.576 40.339 1.00 63.02 O ATOM 0 H ASP A 19 -3.507 -9.304 37.164 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.250 -9.370 39.949 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -1.799 -8.458 38.396 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -1.917 -8.297 40.137 1.00 61.25 H new ATOM 296 N PHE A 20 -4.360 -6.585 38.275 1.00 75.50 N ATOM 297 CA PHE A 20 -4.750 -5.180 38.346 1.00 61.11 C ATOM 298 C PHE A 20 -5.727 -4.819 37.235 1.00 11.10 C ATOM 299 O PHE A 20 -5.567 -5.246 36.092 1.00 10.14 O ATOM 300 CB PHE A 20 -3.514 -4.282 38.256 1.00 42.10 C ATOM 301 CG PHE A 20 -2.526 -4.723 37.213 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.642 -4.288 35.901 1.00 53.11 C ATOM 303 CD2 PHE A 20 -1.482 -5.573 37.543 1.00 62.20 C ATOM 304 CE1 PHE A 20 -1.734 -4.694 34.940 1.00 13.12 C ATOM 305 CE2 PHE A 20 -0.572 -5.980 36.587 1.00 64.11 C ATOM 306 CZ PHE A 20 -0.698 -5.540 35.284 1.00 51.01 C ATOM 0 H PHE A 20 -4.226 -6.940 37.328 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.246 -5.021 39.304 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.831 -3.262 38.037 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.019 -4.260 39.227 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.450 -3.625 35.627 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -1.379 -5.921 38.560 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -1.835 -4.350 33.921 1.00 13.12 H new ATOM 0 HE2 PHE A 20 0.237 -6.642 36.858 1.00 64.11 H new ATOM 0 HZ PHE A 20 0.013 -5.857 34.535 1.00 51.01 H new ATOM 316 N GLN A 21 -6.738 -4.025 37.577 1.00 15.34 N ATOM 317 CA GLN A 21 -7.741 -3.598 36.609 1.00 22.42 C ATOM 318 C GLN A 21 -7.084 -2.829 35.461 1.00 75.54 C ATOM 319 O GLN A 21 -6.421 -1.816 35.682 1.00 3.30 O ATOM 320 CB GLN A 21 -8.794 -2.728 37.298 1.00 41.11 C ATOM 321 CG GLN A 21 -9.971 -2.369 36.408 1.00 63.45 C ATOM 322 CD GLN A 21 -11.070 -1.646 37.163 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.301 -1.905 38.343 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.753 -0.730 36.484 1.00 51.02 N ATOM 0 H GLN A 21 -6.883 -3.664 38.520 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.228 -4.481 36.196 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.164 -3.251 38.180 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.321 -1.810 37.647 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.624 -1.741 35.588 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.377 -3.278 35.964 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.528 -0.547 35.506 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.502 -0.210 36.941 1.00 51.02 H new ATOM 333 N LEU A 22 -7.261 -3.328 34.240 1.00 10.45 N ATOM 334 CA LEU A 22 -6.670 -2.696 33.062 1.00 4.02 C ATOM 335 C LEU A 22 -7.526 -1.540 32.547 1.00 35.51 C ATOM 336 O LEU A 22 -7.002 -0.487 32.183 1.00 71.53 O ATOM 337 CB LEU A 22 -6.460 -3.737 31.958 1.00 12.14 C ATOM 338 CG LEU A 22 -5.079 -4.403 31.951 1.00 25.31 C ATOM 339 CD1 LEU A 22 -4.673 -4.802 33.361 1.00 12.30 C ATOM 340 CD2 LEU A 22 -5.073 -5.616 31.032 1.00 4.03 C ATOM 0 H LEU A 22 -7.807 -4.166 34.040 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.705 -2.282 33.356 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.220 -4.512 32.060 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -6.621 -3.258 30.992 1.00 12.14 H new ATOM 0 HG LEU A 22 -4.353 -3.683 31.573 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -3.690 -5.273 33.337 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -4.635 -3.915 33.993 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.402 -5.504 33.765 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.084 -6.074 31.041 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -5.811 -6.339 31.379 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -5.319 -5.305 30.017 1.00 4.03 H new ATOM 352 N TYR A 23 -8.840 -1.733 32.525 1.00 34.05 N ATOM 353 CA TYR A 23 -9.755 -0.692 32.061 1.00 23.50 C ATOM 354 C TYR A 23 -10.199 0.187 33.228 1.00 25.40 C ATOM 355 O TYR A 23 -9.943 -0.133 34.386 1.00 43.13 O ATOM 356 CB TYR A 23 -10.974 -1.315 31.378 1.00 63.45 C ATOM 357 CG TYR A 23 -11.155 -0.895 29.938 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.078 -0.849 29.065 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.410 -0.548 29.454 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.245 -0.467 27.747 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.587 -0.167 28.140 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.502 -0.126 27.290 1.00 12.35 C ATOM 363 OH TYR A 23 -11.674 0.256 25.981 1.00 2.05 O ATOM 0 H TYR A 23 -9.296 -2.596 32.821 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.228 -0.071 31.336 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.886 -2.401 31.420 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.869 -1.046 31.939 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.094 -1.116 29.421 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.262 -0.577 30.118 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.397 -0.436 27.079 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.570 0.098 27.779 1.00 71.50 H new ATOM 0 HH TYR A 23 -12.619 0.462 25.822 1.00 2.05 H new ATOM 373 N PRO A 24 -10.859 1.316 32.938 1.00 32.24 N ATOM 374 CA PRO A 24 -11.323 2.248 33.961 1.00 11.05 C ATOM 375 C PRO A 24 -12.756 1.979 34.403 1.00 1.33 C ATOM 376 O PRO A 24 -13.376 0.998 33.993 1.00 21.12 O ATOM 377 CB PRO A 24 -11.265 3.563 33.205 1.00 65.33 C ATOM 378 CG PRO A 24 -11.749 3.187 31.849 1.00 43.20 C ATOM 379 CD PRO A 24 -11.198 1.804 31.586 1.00 63.42 C ATOM 0 HA PRO A 24 -10.734 2.196 34.877 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.899 4.322 33.664 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.253 3.968 33.175 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.838 3.189 31.808 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.401 3.896 31.098 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.933 1.163 31.099 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.322 1.835 30.937 1.00 63.42 H new ATOM 387 N GLY A 25 -13.275 2.887 35.225 1.00 62.31 N ATOM 388 CA GLY A 25 -14.640 2.791 35.714 1.00 55.53 C ATOM 389 C GLY A 25 -15.104 1.382 36.014 1.00 61.45 C ATOM 390 O GLY A 25 -14.335 0.542 36.483 1.00 31.03 O ATOM 0 H GLY A 25 -12.764 3.701 35.566 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.730 3.390 36.620 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.309 3.230 34.974 1.00 55.53 H new ATOM 394 N GLU A 26 -16.383 1.139 35.750 1.00 34.32 N ATOM 395 CA GLU A 26 -16.996 -0.161 35.998 1.00 25.33 C ATOM 396 C GLU A 26 -16.617 -1.167 34.923 1.00 14.12 C ATOM 397 O GLU A 26 -16.422 -2.348 35.209 1.00 61.02 O ATOM 398 CB GLU A 26 -18.519 -0.024 36.053 1.00 60.13 C ATOM 399 CG GLU A 26 -19.040 0.522 37.372 1.00 32.34 C ATOM 400 CD GLU A 26 -20.175 1.508 37.181 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.892 2.694 36.909 1.00 61.30 O ATOM 402 OE2 GLU A 26 -21.348 1.094 37.302 1.00 44.40 O ATOM 0 H GLU A 26 -17.021 1.833 35.360 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.625 -0.525 36.956 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.845 0.632 35.245 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.969 -1.000 35.872 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.381 -0.305 37.995 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.225 1.009 37.908 1.00 32.34 H new ATOM 409 N LEU A 27 -16.522 -0.701 33.683 1.00 43.20 N ATOM 410 CA LEU A 27 -16.173 -1.577 32.572 1.00 70.03 C ATOM 411 C LEU A 27 -14.915 -2.373 32.886 1.00 3.24 C ATOM 412 O LEU A 27 -14.901 -3.598 32.787 1.00 43.43 O ATOM 413 CB LEU A 27 -15.971 -0.775 31.286 1.00 42.54 C ATOM 414 CG LEU A 27 -16.636 -1.364 30.035 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.464 -2.878 29.972 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.110 -0.992 29.997 1.00 51.13 C ATOM 0 H LEU A 27 -16.681 0.272 33.423 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.001 -2.270 32.425 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.356 0.233 31.442 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.901 -0.682 31.099 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.142 -0.939 29.161 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.947 -3.262 29.073 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -15.402 -3.123 29.946 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.920 -3.333 30.852 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.569 -1.416 29.104 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.608 -1.386 30.883 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.211 0.093 29.976 1.00 51.13 H new ATOM 428 N GLY A 28 -13.857 -1.675 33.270 1.00 3.43 N ATOM 429 CA GLY A 28 -12.622 -2.350 33.599 1.00 70.33 C ATOM 430 C GLY A 28 -12.814 -3.362 34.704 1.00 53.45 C ATOM 431 O GLY A 28 -12.172 -4.410 34.712 1.00 64.53 O ATOM 0 H GLY A 28 -13.832 -0.659 33.359 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.233 -2.850 32.712 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.876 -1.616 33.904 1.00 70.33 H new ATOM 435 N LYS A 29 -13.713 -3.054 35.630 1.00 41.30 N ATOM 436 CA LYS A 29 -13.997 -3.958 36.736 1.00 11.31 C ATOM 437 C LYS A 29 -14.580 -5.272 36.220 1.00 74.12 C ATOM 438 O LYS A 29 -14.081 -6.347 36.546 1.00 50.10 O ATOM 439 CB LYS A 29 -14.960 -3.305 37.730 1.00 13.40 C ATOM 440 CG LYS A 29 -14.264 -2.741 38.960 1.00 74.43 C ATOM 441 CD LYS A 29 -14.795 -3.364 40.243 1.00 54.40 C ATOM 442 CE LYS A 29 -15.692 -2.398 41.003 1.00 33.14 C ATOM 443 NZ LYS A 29 -16.989 -3.022 41.388 1.00 73.52 N ATOM 0 H LYS A 29 -14.255 -2.190 35.637 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.060 -4.173 37.250 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.501 -2.503 37.228 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.700 -4.041 38.045 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -13.191 -2.920 38.885 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -14.405 -1.661 38.995 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -15.353 -4.270 40.005 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -13.960 -3.662 40.877 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -15.176 -2.054 41.899 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -15.882 -1.519 40.387 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -17.568 -2.329 41.903 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -17.495 -3.328 40.532 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -16.811 -3.845 41.998 1.00 73.52 H new ATOM 457 N ARG A 30 -15.638 -5.180 35.412 1.00 14.42 N ATOM 458 CA ARG A 30 -16.276 -6.373 34.861 1.00 74.43 C ATOM 459 C ARG A 30 -15.289 -7.178 34.019 1.00 51.04 C ATOM 460 O ARG A 30 -15.269 -8.402 34.089 1.00 65.32 O ATOM 461 CB ARG A 30 -17.512 -6.008 34.034 1.00 42.34 C ATOM 462 CG ARG A 30 -17.218 -5.095 32.860 1.00 12.00 C ATOM 463 CD ARG A 30 -18.496 -4.542 32.248 1.00 64.35 C ATOM 464 NE ARG A 30 -19.159 -3.588 33.136 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.365 -3.776 33.672 1.00 44.23 C ATOM 466 NH1 ARG A 30 -21.069 -4.866 33.395 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.873 -2.860 34.486 1.00 70.40 N ATOM 0 H ARG A 30 -16.067 -4.299 35.128 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.599 -6.992 35.698 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.972 -6.924 33.663 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.242 -5.525 34.684 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.585 -4.271 33.189 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.659 -5.644 32.102 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.264 -4.055 31.301 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.177 -5.364 32.025 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.667 -2.723 33.360 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.689 -5.572 32.765 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.991 -4.998 33.812 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.341 -2.016 34.699 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.795 -3.000 34.898 1.00 70.40 H new ATOM 481 N ILE A 31 -14.466 -6.494 33.230 1.00 42.52 N ATOM 482 CA ILE A 31 -13.475 -7.176 32.398 1.00 44.44 C ATOM 483 C ILE A 31 -12.458 -7.883 33.271 1.00 73.55 C ATOM 484 O ILE A 31 -12.309 -9.103 33.218 1.00 62.43 O ATOM 485 CB ILE A 31 -12.737 -6.199 31.467 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.730 -5.333 30.694 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.840 -6.961 30.506 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.204 -3.952 30.397 1.00 24.11 C ATOM 0 H ILE A 31 -14.463 -5.477 33.148 1.00 42.52 H new ATOM 0 HA ILE A 31 -14.013 -7.898 31.784 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.117 -5.544 32.080 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.982 -5.829 29.757 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.653 -5.248 31.268 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.324 -6.256 29.853 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -11.106 -7.536 31.071 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.445 -7.638 29.903 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.956 -3.387 29.846 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.978 -3.440 31.332 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.297 -4.029 29.797 1.00 24.11 H new ATOM 500 N TYR A 32 -11.778 -7.104 34.094 1.00 64.50 N ATOM 501 CA TYR A 32 -10.789 -7.642 35.010 1.00 23.32 C ATOM 502 C TYR A 32 -11.410 -8.736 35.882 1.00 71.21 C ATOM 503 O TYR A 32 -10.696 -9.535 36.489 1.00 4.24 O ATOM 504 CB TYR A 32 -10.214 -6.502 35.866 1.00 61.31 C ATOM 505 CG TYR A 32 -9.872 -6.878 37.291 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.857 -6.940 38.268 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.564 -7.158 37.662 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.548 -7.272 39.574 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.246 -7.489 38.965 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.240 -7.546 39.917 1.00 75.01 C ATOM 511 OH TYR A 32 -8.924 -7.873 41.217 1.00 23.44 O ATOM 0 H TYR A 32 -11.894 -6.092 34.146 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.975 -8.096 34.444 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.315 -6.123 35.381 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.935 -5.684 35.886 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.882 -6.725 38.003 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.781 -7.116 36.919 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.326 -7.317 40.322 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.223 -7.702 39.236 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.960 -8.037 41.288 1.00 23.44 H new ATOM 521 N ASN A 33 -12.745 -8.758 35.955 1.00 73.34 N ATOM 522 CA ASN A 33 -13.443 -9.749 36.778 1.00 54.32 C ATOM 523 C ASN A 33 -13.993 -10.929 35.965 1.00 71.34 C ATOM 524 O ASN A 33 -13.821 -12.085 36.352 1.00 44.01 O ATOM 525 CB ASN A 33 -14.588 -9.085 37.544 1.00 0.31 C ATOM 526 CG ASN A 33 -14.145 -8.555 38.893 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.365 -9.195 39.598 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.642 -7.380 39.260 1.00 61.25 N ATOM 0 H ASN A 33 -13.357 -8.109 35.460 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.703 -10.150 37.471 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.993 -8.266 36.950 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.394 -9.805 37.686 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.380 -6.973 40.158 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.286 -6.884 38.644 1.00 61.25 H new ATOM 535 N GLU A 34 -14.685 -10.638 34.868 1.00 11.44 N ATOM 536 CA GLU A 34 -15.289 -11.684 34.042 1.00 12.01 C ATOM 537 C GLU A 34 -14.439 -12.039 32.824 1.00 33.04 C ATOM 538 O GLU A 34 -14.561 -13.132 32.279 1.00 14.34 O ATOM 539 CB GLU A 34 -16.683 -11.252 33.583 1.00 14.34 C ATOM 540 CG GLU A 34 -17.581 -10.782 34.715 1.00 71.44 C ATOM 541 CD GLU A 34 -18.730 -11.732 34.985 1.00 43.43 C ATOM 542 OE1 GLU A 34 -19.584 -11.902 34.088 1.00 51.51 O ATOM 543 OE2 GLU A 34 -18.774 -12.310 36.091 1.00 60.04 O ATOM 0 H GLU A 34 -14.843 -9.689 34.529 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.357 -12.576 34.664 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.583 -10.449 32.853 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.163 -12.087 33.073 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -16.987 -10.671 35.622 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.979 -9.797 34.472 1.00 71.44 H new ATOM 550 N ILE A 35 -13.590 -11.121 32.389 1.00 41.23 N ATOM 551 CA ILE A 35 -12.740 -11.369 31.228 1.00 15.01 C ATOM 552 C ILE A 35 -11.301 -11.651 31.653 1.00 22.10 C ATOM 553 O ILE A 35 -10.533 -10.730 31.925 1.00 72.42 O ATOM 554 CB ILE A 35 -12.765 -10.174 30.247 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.195 -9.909 29.758 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.838 -10.428 29.064 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.934 -11.160 29.344 1.00 44.35 C ATOM 0 H ILE A 35 -13.469 -10.203 32.817 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.139 -12.247 30.719 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.410 -9.290 30.778 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.755 -9.412 30.550 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.160 -9.221 28.913 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.871 -9.575 28.386 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.818 -10.567 29.424 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.161 -11.324 28.535 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.937 -10.896 29.010 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.397 -11.647 28.530 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -15.001 -11.840 30.193 1.00 44.35 H new ATOM 569 N SER A 36 -10.945 -12.933 31.704 1.00 32.24 N ATOM 570 CA SER A 36 -9.598 -13.340 32.092 1.00 70.31 C ATOM 571 C SER A 36 -8.554 -12.734 31.160 1.00 1.11 C ATOM 572 O SER A 36 -8.895 -12.105 30.157 1.00 2.44 O ATOM 573 CB SER A 36 -9.477 -14.866 32.080 1.00 53.15 C ATOM 574 OG SER A 36 -9.669 -15.383 30.775 1.00 41.34 O ATOM 0 H SER A 36 -11.571 -13.707 31.481 1.00 32.24 H new ATOM 0 HA SER A 36 -9.416 -12.974 33.102 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.494 -15.159 32.449 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.214 -15.298 32.757 1.00 53.15 H new ATOM 0 HG SER A 36 -10.623 -15.360 30.551 1.00 41.34 H new ATOM 580 N LYS A 37 -7.282 -12.929 31.493 1.00 42.00 N ATOM 581 CA LYS A 37 -6.192 -12.404 30.679 1.00 52.25 C ATOM 582 C LYS A 37 -6.234 -12.998 29.275 1.00 52.31 C ATOM 583 O LYS A 37 -5.914 -12.326 28.295 1.00 14.05 O ATOM 584 CB LYS A 37 -4.841 -12.708 31.331 1.00 71.22 C ATOM 585 CG LYS A 37 -4.730 -12.224 32.768 1.00 2.54 C ATOM 586 CD LYS A 37 -3.652 -12.981 33.533 1.00 32.52 C ATOM 587 CE LYS A 37 -2.447 -12.098 33.821 1.00 55.32 C ATOM 588 NZ LYS A 37 -2.618 -11.315 35.076 1.00 43.10 N ATOM 0 H LYS A 37 -6.981 -13.446 32.319 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.315 -11.323 30.607 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.670 -13.784 31.306 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.051 -12.246 30.740 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.503 -11.158 32.777 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.689 -12.350 33.270 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -4.064 -13.353 34.471 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -3.337 -13.850 32.956 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -1.554 -12.718 33.899 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.290 -11.415 32.986 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.686 -11.131 35.500 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -3.085 -10.411 34.860 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -3.202 -11.855 35.745 1.00 43.10 H new ATOM 602 N GLU A 38 -6.630 -14.265 29.187 1.00 41.40 N ATOM 603 CA GLU A 38 -6.714 -14.954 27.905 1.00 54.20 C ATOM 604 C GLU A 38 -7.741 -14.286 26.997 1.00 31.43 C ATOM 605 O GLU A 38 -7.461 -14.001 25.833 1.00 60.21 O ATOM 606 CB GLU A 38 -7.080 -16.424 28.116 1.00 41.40 C ATOM 607 CG GLU A 38 -6.405 -17.367 27.132 1.00 62.41 C ATOM 608 CD GLU A 38 -7.254 -18.582 26.815 1.00 30.14 C ATOM 609 OE1 GLU A 38 -8.214 -18.850 27.568 1.00 72.33 O ATOM 610 OE2 GLU A 38 -6.959 -19.267 25.813 1.00 54.15 O ATOM 0 H GLU A 38 -6.898 -14.835 29.990 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.738 -14.896 27.423 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.808 -16.715 29.130 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.161 -16.536 28.031 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -6.188 -16.829 26.209 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.450 -17.693 27.543 1.00 62.41 H new ATOM 617 N ALA A 39 -8.928 -14.033 27.537 1.00 51.41 N ATOM 618 CA ALA A 39 -9.986 -13.391 26.772 1.00 63.44 C ATOM 619 C ALA A 39 -9.635 -11.938 26.489 1.00 13.12 C ATOM 620 O ALA A 39 -10.006 -11.388 25.452 1.00 44.04 O ATOM 621 CB ALA A 39 -11.312 -13.485 27.511 1.00 12.31 C ATOM 0 H ALA A 39 -9.180 -14.262 28.498 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.085 -13.912 25.820 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.091 -12.999 26.923 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.571 -14.533 27.662 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.225 -12.990 28.478 1.00 12.31 H new ATOM 627 N TRP A 40 -8.908 -11.323 27.416 1.00 21.45 N ATOM 628 CA TRP A 40 -8.496 -9.936 27.260 1.00 64.40 C ATOM 629 C TRP A 40 -7.452 -9.815 26.157 1.00 11.24 C ATOM 630 O TRP A 40 -7.460 -8.859 25.381 1.00 3.30 O ATOM 631 CB TRP A 40 -7.931 -9.391 28.571 1.00 22.34 C ATOM 632 CG TRP A 40 -7.654 -7.920 28.521 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.455 -7.302 28.727 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.598 -6.885 28.238 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.598 -5.942 28.589 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.905 -5.661 28.290 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.962 -6.874 27.945 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.531 -4.440 28.060 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.583 -5.662 27.718 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.869 -4.459 27.775 1.00 72.40 C ATOM 0 H TRP A 40 -8.593 -11.763 28.281 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.373 -9.349 26.986 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.636 -9.595 29.377 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -7.009 -9.921 28.811 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.530 -7.807 28.964 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.852 -5.254 28.692 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.522 -7.796 27.897 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.981 -3.512 28.105 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.639 -5.641 27.492 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.384 -3.528 27.590 1.00 72.40 H new ATOM 651 N ALA A 41 -6.558 -10.798 26.090 1.00 22.20 N ATOM 652 CA ALA A 41 -5.511 -10.808 25.078 1.00 53.14 C ATOM 653 C ALA A 41 -6.117 -10.893 23.683 1.00 42.33 C ATOM 654 O ALA A 41 -5.544 -10.396 22.714 1.00 53.05 O ATOM 655 CB ALA A 41 -4.554 -11.967 25.317 1.00 23.01 C ATOM 0 H ALA A 41 -6.539 -11.596 26.725 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.950 -9.876 25.151 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.777 -11.961 24.552 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.096 -11.864 26.301 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.103 -12.908 25.269 1.00 23.01 H new ATOM 661 N GLN A 42 -7.292 -11.508 23.594 1.00 45.32 N ATOM 662 CA GLN A 42 -7.989 -11.640 22.324 1.00 24.31 C ATOM 663 C GLN A 42 -8.607 -10.303 21.928 1.00 23.11 C ATOM 664 O GLN A 42 -8.759 -10.001 20.746 1.00 73.11 O ATOM 665 CB GLN A 42 -9.075 -12.715 22.426 1.00 64.34 C ATOM 666 CG GLN A 42 -8.612 -13.984 23.124 1.00 12.21 C ATOM 667 CD GLN A 42 -9.129 -15.243 22.454 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.782 -15.183 21.414 1.00 75.14 O ATOM 669 NE2 GLN A 42 -8.836 -16.394 23.051 1.00 44.42 N ATOM 0 H GLN A 42 -7.780 -11.922 24.388 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.273 -11.939 21.558 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.930 -12.306 22.964 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.420 -12.967 21.423 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.522 -14.008 23.141 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.946 -13.966 24.161 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.291 -16.397 23.913 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.156 -17.274 22.647 1.00 44.42 H new ATOM 678 N TRP A 43 -8.948 -9.502 22.935 1.00 55.12 N ATOM 679 CA TRP A 43 -9.537 -8.190 22.706 1.00 54.33 C ATOM 680 C TRP A 43 -8.465 -7.185 22.297 1.00 32.20 C ATOM 681 O TRP A 43 -8.598 -6.504 21.283 1.00 45.45 O ATOM 682 CB TRP A 43 -10.262 -7.710 23.968 1.00 21.24 C ATOM 683 CG TRP A 43 -10.498 -6.230 24.008 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.935 -5.336 24.871 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.353 -5.472 23.145 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.394 -4.071 24.607 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.264 -4.127 23.551 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.185 -5.797 22.070 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.976 -3.112 22.924 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.891 -4.784 21.445 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.782 -3.456 21.874 1.00 23.41 C ATOM 0 H TRP A 43 -8.825 -9.742 23.919 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.260 -8.271 21.894 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.221 -8.223 24.041 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.678 -7.999 24.842 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.230 -5.588 25.649 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.130 -3.226 25.114 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.275 -6.819 21.733 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.896 -2.087 23.254 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.537 -5.022 20.613 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.346 -2.688 21.366 1.00 23.41 H new ATOM 702 N GLN A 44 -7.397 -7.098 23.092 1.00 51.52 N ATOM 703 CA GLN A 44 -6.300 -6.178 22.803 1.00 3.30 C ATOM 704 C GLN A 44 -5.883 -6.287 21.339 1.00 74.45 C ATOM 705 O GLN A 44 -5.616 -5.282 20.680 1.00 32.54 O ATOM 706 CB GLN A 44 -5.105 -6.468 23.715 1.00 73.54 C ATOM 707 CG GLN A 44 -5.480 -6.622 25.181 1.00 4.42 C ATOM 708 CD GLN A 44 -4.718 -5.670 26.085 1.00 41.44 C ATOM 709 OE1 GLN A 44 -3.888 -6.093 26.890 1.00 2.02 O ATOM 710 NE2 GLN A 44 -4.998 -4.378 25.959 1.00 2.33 N ATOM 0 H GLN A 44 -7.270 -7.653 23.939 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.645 -5.162 22.992 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.614 -7.380 23.377 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.380 -5.660 23.617 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.550 -6.449 25.298 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.287 -7.648 25.495 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -5.693 -4.071 25.279 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.518 -3.693 26.542 1.00 2.33 H new ATOM 719 N HIS A 45 -5.844 -7.518 20.838 1.00 5.13 N ATOM 720 CA HIS A 45 -5.477 -7.767 19.449 1.00 12.51 C ATOM 721 C HIS A 45 -6.538 -7.191 18.516 1.00 52.13 C ATOM 722 O HIS A 45 -6.221 -6.623 17.472 1.00 22.04 O ATOM 723 CB HIS A 45 -5.314 -9.270 19.206 1.00 61.45 C ATOM 724 CG HIS A 45 -5.211 -9.641 17.756 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.008 -9.794 17.101 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.174 -9.882 16.834 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.231 -10.114 15.838 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.537 -10.174 15.652 1.00 45.21 N ATOM 0 H HIS A 45 -6.062 -8.358 21.374 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.526 -7.277 19.243 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.421 -9.618 19.725 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.162 -9.794 19.646 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.241 -9.851 16.997 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.476 -10.295 15.088 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -5.999 -10.401 14.771 1.00 45.21 H new ATOM 736 N LYS A 46 -7.799 -7.335 18.909 1.00 55.53 N ATOM 737 CA LYS A 46 -8.911 -6.820 18.118 1.00 40.11 C ATOM 738 C LYS A 46 -9.054 -5.313 18.319 1.00 73.41 C ATOM 739 O LYS A 46 -9.647 -4.619 17.497 1.00 51.20 O ATOM 740 CB LYS A 46 -10.212 -7.532 18.503 1.00 2.14 C ATOM 741 CG LYS A 46 -11.424 -7.070 17.709 1.00 34.23 C ATOM 742 CD LYS A 46 -11.707 -7.986 16.528 1.00 13.22 C ATOM 743 CE LYS A 46 -12.997 -8.767 16.722 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.702 -9.007 15.431 1.00 74.13 N ATOM 0 H LYS A 46 -8.077 -7.804 19.771 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.706 -7.012 17.065 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.084 -8.605 18.360 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.402 -7.372 19.564 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.296 -7.039 18.362 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.258 -6.054 17.350 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.773 -7.394 15.615 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -10.877 -8.680 16.398 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -12.775 -9.722 17.197 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.654 -8.220 17.398 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.576 -9.542 15.607 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.937 -8.095 14.989 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.085 -9.551 14.795 1.00 74.13 H new ATOM 758 N GLN A 47 -8.498 -4.809 19.414 1.00 52.34 N ATOM 759 CA GLN A 47 -8.559 -3.385 19.709 1.00 41.35 C ATOM 760 C GLN A 47 -7.642 -2.609 18.765 1.00 55.42 C ATOM 761 O GLN A 47 -8.041 -1.603 18.182 1.00 61.23 O ATOM 762 CB GLN A 47 -8.163 -3.136 21.172 1.00 50.34 C ATOM 763 CG GLN A 47 -7.645 -1.731 21.448 1.00 75.45 C ATOM 764 CD GLN A 47 -7.262 -1.523 22.900 1.00 54.04 C ATOM 765 OE1 GLN A 47 -7.572 -2.347 23.760 1.00 60.30 O ATOM 766 NE2 GLN A 47 -6.581 -0.418 23.178 1.00 24.34 N ATOM 0 H GLN A 47 -8.001 -5.365 20.110 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.580 -3.035 19.559 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.028 -3.324 21.808 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.396 -3.856 21.457 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -6.778 -1.537 20.817 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -8.410 -1.005 21.171 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -6.346 0.237 22.433 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.293 -0.224 24.137 1.00 24.34 H new ATOM 775 N THR A 48 -6.407 -3.084 18.630 1.00 2.31 N ATOM 776 CA THR A 48 -5.424 -2.435 17.769 1.00 41.14 C ATOM 777 C THR A 48 -5.940 -2.288 16.338 1.00 32.32 C ATOM 778 O THR A 48 -5.697 -1.271 15.689 1.00 11.51 O ATOM 779 CB THR A 48 -4.104 -3.211 17.784 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.049 -2.412 17.279 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.136 -4.490 16.972 1.00 22.44 C ATOM 0 H THR A 48 -6.063 -3.917 19.107 1.00 2.31 H new ATOM 0 HA THR A 48 -5.249 -1.434 18.163 1.00 41.14 H new ATOM 0 HB THR A 48 -3.944 -3.474 18.830 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.213 -2.924 17.298 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.166 -4.983 17.031 1.00 22.44 H new ATOM 0 HG22 THR A 48 -4.905 -5.153 17.368 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.360 -4.255 15.932 1.00 22.44 H new ATOM 789 N MET A 49 -6.654 -3.298 15.848 1.00 63.31 N ATOM 790 CA MET A 49 -7.194 -3.253 14.493 1.00 24.21 C ATOM 791 C MET A 49 -8.459 -2.404 14.454 1.00 40.42 C ATOM 792 O MET A 49 -8.699 -1.675 13.493 1.00 5.35 O ATOM 793 CB MET A 49 -7.487 -4.664 13.973 1.00 25.43 C ATOM 794 CG MET A 49 -8.153 -5.571 14.993 1.00 13.45 C ATOM 795 SD MET A 49 -9.495 -6.547 14.289 1.00 74.20 S ATOM 796 CE MET A 49 -8.679 -8.123 14.052 1.00 41.13 C ATOM 0 H MET A 49 -6.871 -4.151 16.364 1.00 63.31 H new ATOM 0 HA MET A 49 -6.445 -2.799 13.845 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.127 -4.591 13.094 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.553 -5.122 13.649 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.406 -6.242 15.418 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.541 -4.966 15.812 1.00 13.45 H new ATOM 0 HE1 MET A 49 -9.382 -8.836 13.621 1.00 41.13 H new ATOM 0 HE2 MET A 49 -7.832 -7.996 13.378 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.325 -8.498 15.013 1.00 41.13 H new ATOM 806 N LEU A 50 -9.261 -2.495 15.510 1.00 10.12 N ATOM 807 CA LEU A 50 -10.493 -1.722 15.595 1.00 72.50 C ATOM 808 C LEU A 50 -10.178 -0.232 15.642 1.00 24.05 C ATOM 809 O LEU A 50 -10.931 0.584 15.123 1.00 31.33 O ATOM 810 CB LEU A 50 -11.302 -2.127 16.831 1.00 35.02 C ATOM 811 CG LEU A 50 -12.061 -3.452 16.715 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.717 -3.809 18.041 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.098 -3.381 15.604 1.00 64.03 C ATOM 0 H LEU A 50 -9.080 -3.094 16.315 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.090 -1.930 14.707 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.625 -2.189 17.683 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.019 -1.336 17.050 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.347 -4.236 16.464 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.252 -4.753 17.940 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.952 -3.906 18.811 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.418 -3.024 18.323 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.626 -4.332 15.538 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.810 -2.585 15.821 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.602 -3.175 14.656 1.00 64.03 H new ATOM 825 N ILE A 51 -9.057 0.112 16.263 1.00 21.21 N ATOM 826 CA ILE A 51 -8.642 1.506 16.370 1.00 51.32 C ATOM 827 C ILE A 51 -7.964 1.969 15.083 1.00 51.43 C ATOM 828 O ILE A 51 -8.168 3.095 14.633 1.00 23.00 O ATOM 829 CB ILE A 51 -7.688 1.712 17.569 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.415 1.388 18.876 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.148 3.139 17.597 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.542 1.525 20.102 1.00 32.24 C ATOM 0 H ILE A 51 -8.419 -0.554 16.700 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.538 2.105 16.533 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.841 1.035 17.458 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.276 2.049 18.977 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.800 0.369 18.826 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.480 3.258 18.450 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.601 3.339 16.676 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -7.978 3.840 17.686 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.123 1.280 20.991 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.695 0.844 20.023 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.178 2.550 20.177 1.00 32.24 H new ATOM 844 N ASN A 52 -7.154 1.092 14.497 1.00 53.30 N ATOM 845 CA ASN A 52 -6.445 1.412 13.262 1.00 52.52 C ATOM 846 C ASN A 52 -7.390 1.382 12.062 1.00 23.31 C ATOM 847 O ASN A 52 -7.191 2.107 11.087 1.00 63.50 O ATOM 848 CB ASN A 52 -5.291 0.430 13.043 1.00 74.33 C ATOM 849 CG ASN A 52 -3.950 1.013 13.448 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.790 2.230 13.534 1.00 63.13 O ATOM 851 ND2 ASN A 52 -2.978 0.144 13.698 1.00 75.53 N ATOM 0 H ASN A 52 -6.972 0.155 14.857 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.043 2.421 13.356 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.477 -0.478 13.616 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.257 0.143 11.992 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.054 0.477 13.974 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.155 -0.857 13.614 1.00 75.53 H new ATOM 858 N GLU A 53 -8.416 0.538 12.133 1.00 22.35 N ATOM 859 CA GLU A 53 -9.381 0.416 11.044 1.00 2.12 C ATOM 860 C GLU A 53 -10.499 1.450 11.167 1.00 0.01 C ATOM 861 O GLU A 53 -10.754 2.210 10.231 1.00 44.44 O ATOM 862 CB GLU A 53 -9.974 -0.992 11.013 1.00 54.44 C ATOM 863 CG GLU A 53 -10.419 -1.430 9.628 1.00 72.53 C ATOM 864 CD GLU A 53 -10.441 -2.938 9.475 1.00 60.14 C ATOM 865 OE1 GLU A 53 -11.271 -3.590 10.143 1.00 64.12 O ATOM 866 OE2 GLU A 53 -9.628 -3.467 8.689 1.00 3.25 O ATOM 0 H GLU A 53 -8.600 -0.070 12.931 1.00 22.35 H new ATOM 0 HA GLU A 53 -8.850 0.602 10.111 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.234 -1.698 11.389 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.827 -1.034 11.690 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.414 -1.033 9.427 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -9.749 -1.002 8.882 1.00 72.53 H new ATOM 873 N LYS A 54 -11.165 1.484 12.321 1.00 2.21 N ATOM 874 CA LYS A 54 -12.250 2.439 12.542 1.00 51.31 C ATOM 875 C LYS A 54 -11.708 3.856 12.715 1.00 13.10 C ATOM 876 O LYS A 54 -12.474 4.818 12.764 1.00 20.24 O ATOM 877 CB LYS A 54 -13.081 2.052 13.769 1.00 24.31 C ATOM 878 CG LYS A 54 -14.054 0.912 13.513 1.00 71.11 C ATOM 879 CD LYS A 54 -13.423 -0.439 13.801 1.00 44.52 C ATOM 880 CE LYS A 54 -14.202 -1.570 13.144 1.00 52.22 C ATOM 881 NZ LYS A 54 -13.308 -2.497 12.395 1.00 54.31 N ATOM 0 H LYS A 54 -10.975 0.867 13.111 1.00 2.21 H new ATOM 0 HA LYS A 54 -12.890 2.413 11.660 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.408 1.769 14.578 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.639 2.925 14.109 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.938 1.041 14.137 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.388 0.944 12.476 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.395 -0.446 13.439 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.383 -0.601 14.878 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.746 -2.127 13.907 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -14.944 -1.153 12.464 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -13.369 -2.292 11.377 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -12.327 -2.368 12.716 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -13.603 -3.479 12.569 1.00 54.31 H new ATOM 895 N LYS A 55 -10.384 3.979 12.808 1.00 43.42 N ATOM 896 CA LYS A 55 -9.741 5.277 12.973 1.00 74.11 C ATOM 897 C LYS A 55 -10.099 5.909 14.314 1.00 31.21 C ATOM 898 O LYS A 55 -10.678 6.995 14.365 1.00 5.25 O ATOM 899 CB LYS A 55 -10.128 6.216 11.825 1.00 72.23 C ATOM 900 CG LYS A 55 -9.399 5.918 10.526 1.00 12.00 C ATOM 901 CD LYS A 55 -7.901 6.132 10.670 1.00 1.15 C ATOM 902 CE LYS A 55 -7.222 6.260 9.316 1.00 24.22 C ATOM 903 NZ LYS A 55 -6.992 7.683 8.945 1.00 61.25 N ATOM 0 H LYS A 55 -9.737 3.192 12.771 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.663 5.118 12.953 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.202 6.144 11.654 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.920 7.244 12.121 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -9.594 4.889 10.225 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -9.786 6.560 9.734 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -7.716 7.032 11.257 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -7.465 5.298 11.219 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -6.269 5.731 9.336 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -7.837 5.781 8.554 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -6.527 7.729 8.016 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -7.903 8.182 8.901 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -6.384 8.134 9.658 1.00 61.25 H new ATOM 917 N LEU A 56 -9.740 5.234 15.403 1.00 30.41 N ATOM 918 CA LEU A 56 -10.011 5.745 16.739 1.00 52.41 C ATOM 919 C LEU A 56 -8.810 6.531 17.257 1.00 51.14 C ATOM 920 O LEU A 56 -7.806 6.674 16.560 1.00 44.51 O ATOM 921 CB LEU A 56 -10.340 4.592 17.695 1.00 75.54 C ATOM 922 CG LEU A 56 -11.621 3.817 17.369 1.00 34.35 C ATOM 923 CD1 LEU A 56 -11.866 2.737 18.410 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.815 4.762 17.288 1.00 14.14 C ATOM 0 H LEU A 56 -9.262 4.333 15.384 1.00 30.41 H new ATOM 0 HA LEU A 56 -10.872 6.412 16.688 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.503 3.894 17.697 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.424 4.992 18.705 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.496 3.339 16.397 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.780 2.195 18.164 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.025 2.044 18.420 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -11.970 3.196 19.393 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.715 4.192 17.056 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -12.943 5.269 18.244 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.642 5.501 16.506 1.00 14.14 H new ATOM 936 N ASN A 57 -8.915 7.039 18.480 1.00 32.03 N ATOM 937 CA ASN A 57 -7.832 7.807 19.085 1.00 20.43 C ATOM 938 C ASN A 57 -7.849 7.672 20.604 1.00 1.23 C ATOM 939 O ASN A 57 -8.698 8.254 21.281 1.00 1.02 O ATOM 940 CB ASN A 57 -7.941 9.281 18.690 1.00 15.31 C ATOM 941 CG ASN A 57 -6.645 10.037 18.913 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.654 10.961 19.867 1.00 54.21 O flip ATOM 943 ND2 ASN A 57 -5.646 9.793 18.238 1.00 70.12 N flip ATOM 0 H ASN A 57 -9.739 6.933 19.072 1.00 32.03 H new ATOM 0 HA ASN A 57 -6.888 7.408 18.715 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.224 9.353 17.640 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.737 9.751 19.268 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.682 9.075 17.515 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -4.781 10.309 18.402 1.00 70.12 H new ATOM 950 N MET A 58 -6.910 6.895 21.131 1.00 5.10 N ATOM 951 CA MET A 58 -6.813 6.672 22.574 1.00 4.22 C ATOM 952 C MET A 58 -6.748 7.992 23.339 1.00 4.32 C ATOM 953 O MET A 58 -7.091 8.050 24.520 1.00 31.45 O ATOM 954 CB MET A 58 -5.586 5.816 22.918 1.00 30.22 C ATOM 955 CG MET A 58 -4.387 6.044 22.008 1.00 34.55 C ATOM 956 SD MET A 58 -3.962 4.587 21.033 1.00 24.45 S ATOM 957 CE MET A 58 -5.559 4.148 20.349 1.00 24.34 C ATOM 0 H MET A 58 -6.202 6.407 20.582 1.00 5.10 H new ATOM 0 HA MET A 58 -7.714 6.139 22.877 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.291 6.022 23.947 1.00 30.22 H new ATOM 0 HB3 MET A 58 -5.867 4.764 22.872 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.600 6.876 21.336 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.528 6.334 22.613 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.494 3.171 19.871 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.300 4.112 21.148 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.856 4.894 19.612 1.00 24.34 H new ATOM 967 N MET A 59 -6.305 9.048 22.664 1.00 1.01 N ATOM 968 CA MET A 59 -6.197 10.361 23.290 1.00 74.53 C ATOM 969 C MET A 59 -7.554 11.062 23.345 1.00 71.54 C ATOM 970 O MET A 59 -7.755 11.980 24.139 1.00 44.32 O ATOM 971 CB MET A 59 -5.189 11.229 22.530 1.00 2.02 C ATOM 972 CG MET A 59 -3.916 11.508 23.314 1.00 24.22 C ATOM 973 SD MET A 59 -3.745 13.244 23.775 1.00 11.43 S ATOM 974 CE MET A 59 -2.150 13.627 23.058 1.00 3.04 C ATOM 0 H MET A 59 -6.016 9.020 21.686 1.00 1.01 H new ATOM 0 HA MET A 59 -5.848 10.217 24.312 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.929 10.735 21.594 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.661 12.176 22.270 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.908 10.895 24.215 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.054 11.209 22.717 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.902 14.669 23.258 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.389 12.982 23.497 1.00 3.04 H new ATOM 0 HE3 MET A 59 -2.186 13.463 21.981 1.00 3.04 H new ATOM 984 N ASN A 60 -8.483 10.624 22.499 1.00 72.24 N ATOM 985 CA ASN A 60 -9.816 11.215 22.459 1.00 13.25 C ATOM 986 C ASN A 60 -10.820 10.332 23.193 1.00 2.34 C ATOM 987 O ASN A 60 -11.055 9.187 22.805 1.00 73.54 O ATOM 988 CB ASN A 60 -10.268 11.422 21.011 1.00 54.23 C ATOM 989 CG ASN A 60 -10.834 12.809 20.775 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.183 13.663 20.173 1.00 45.25 O ATOM 991 ND2 ASN A 60 -12.053 13.040 21.250 1.00 43.22 N ATOM 0 H ASN A 60 -8.337 9.864 21.834 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.771 12.183 22.958 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.423 11.259 20.342 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.022 10.677 20.759 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.485 13.955 21.122 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.556 12.303 21.743 1.00 43.22 H new ATOM 998 N ALA A 61 -11.415 10.873 24.251 1.00 10.14 N ATOM 999 CA ALA A 61 -12.397 10.133 25.034 1.00 75.00 C ATOM 1000 C ALA A 61 -13.554 9.667 24.155 1.00 54.22 C ATOM 1001 O ALA A 61 -14.095 8.577 24.348 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.910 10.991 26.181 1.00 34.33 C ATOM 0 H ALA A 61 -11.235 11.820 24.585 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.911 9.250 25.448 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.643 10.427 26.758 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.078 11.271 26.826 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.378 11.891 25.781 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.927 10.500 23.188 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.018 10.182 22.272 1.00 72.21 C ATOM 1010 C GLU A 62 -14.791 8.835 21.592 1.00 14.54 C ATOM 1011 O GLU A 62 -15.727 8.060 21.400 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.161 11.278 21.214 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.605 11.623 20.885 1.00 22.12 C ATOM 1014 CD GLU A 62 -17.005 13.002 21.374 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.105 13.841 21.592 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -18.218 13.244 21.542 1.00 50.21 O ATOM 0 H GLU A 62 -13.487 11.405 23.018 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.937 10.123 22.855 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.652 12.177 21.563 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.656 10.959 20.302 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.750 11.569 19.806 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.263 10.878 21.333 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.541 8.563 21.236 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.191 7.307 20.584 1.00 60.41 C ATOM 1025 C HIS A 63 -12.947 6.220 21.622 1.00 12.50 C ATOM 1026 O HIS A 63 -13.365 5.075 21.451 1.00 40.22 O ATOM 1027 CB HIS A 63 -11.945 7.474 19.717 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.196 8.175 18.418 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.183 8.554 17.564 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.350 8.560 17.822 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.698 9.142 16.501 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.012 9.158 16.632 1.00 33.54 N ATOM 0 H HIS A 63 -12.754 9.194 21.388 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.026 7.015 19.947 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.196 8.031 20.280 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.523 6.490 19.511 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.349 8.423 18.210 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.141 9.542 15.667 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.670 9.551 15.959 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.266 6.591 22.703 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.965 5.653 23.778 1.00 25.03 C ATOM 1042 C ARG A 64 -13.232 4.938 24.227 1.00 71.40 C ATOM 1043 O ARG A 64 -13.236 3.723 24.424 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.325 6.382 24.960 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.311 5.540 25.715 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.884 5.896 25.325 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.054 4.709 25.143 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.750 3.858 26.121 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -8.210 4.057 27.350 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.985 2.804 25.868 1.00 33.54 N ATOM 0 H ARG A 64 -11.912 7.535 22.857 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.259 4.913 23.402 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.836 7.286 24.597 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.108 6.698 25.649 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.443 5.686 26.787 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.491 4.484 25.512 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.894 6.476 24.402 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.445 6.530 26.095 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.685 4.520 24.211 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.800 4.865 27.549 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.974 3.402 28.095 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.630 2.646 24.925 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.752 2.152 26.617 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.312 5.700 24.372 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.590 5.137 24.778 1.00 31.33 C ATOM 1066 C LYS A 65 -16.098 4.173 23.715 1.00 61.24 C ATOM 1067 O LYS A 65 -16.776 3.192 24.023 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.617 6.247 25.016 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.974 7.031 23.763 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.308 7.745 23.914 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.329 9.055 23.141 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.590 9.228 22.367 1.00 60.30 N ATOM 0 H LYS A 65 -14.325 6.708 24.214 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.447 4.593 25.712 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.525 5.807 25.429 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.227 6.936 25.766 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.191 7.760 23.553 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -17.017 6.355 22.909 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -19.110 7.098 23.558 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.500 7.941 24.969 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.213 9.887 23.835 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -17.479 9.087 22.460 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.562 10.133 21.856 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.689 8.448 21.686 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -20.401 9.223 23.019 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.755 4.455 22.459 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.167 3.608 21.348 1.00 65.44 C ATOM 1088 C LEU A 66 -15.633 2.195 21.539 1.00 64.34 C ATOM 1089 O LEU A 66 -16.367 1.218 21.395 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.668 4.181 20.020 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.612 3.965 18.832 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.091 5.297 18.272 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.929 3.141 17.748 1.00 64.02 C ATOM 0 H LEU A 66 -15.194 5.263 22.189 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.256 3.576 21.325 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.500 5.251 20.142 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.703 3.731 19.786 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.483 3.413 19.186 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.760 5.118 17.430 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.623 5.847 19.048 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.233 5.880 17.937 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.615 2.998 16.913 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.038 3.664 17.400 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.645 2.170 18.154 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.352 2.097 21.882 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.729 0.802 22.112 1.00 22.20 C ATOM 1107 C LEU A 67 -14.472 0.060 23.211 1.00 1.33 C ATOM 1108 O LEU A 67 -14.729 -1.140 23.104 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.261 0.970 22.496 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.325 -0.075 21.898 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -10.802 0.390 20.550 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -10.179 -0.371 22.855 1.00 25.32 C ATOM 0 H LEU A 67 -13.730 2.896 22.006 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.779 0.224 21.189 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.928 1.959 22.182 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.177 0.935 23.582 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.885 -0.998 21.744 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -10.136 -0.367 20.137 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -11.639 0.547 19.869 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -10.256 1.325 20.675 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -9.520 -1.119 22.413 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -9.616 0.543 23.042 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -10.579 -0.750 23.795 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.834 0.791 24.259 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.570 0.210 25.369 1.00 31.11 C ATOM 1126 C GLU A 68 -16.932 -0.283 24.887 1.00 33.44 C ATOM 1127 O GLU A 68 -17.565 -1.124 25.527 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.733 1.236 26.498 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.701 0.806 27.587 1.00 52.31 C ATOM 1130 CD GLU A 68 -18.009 1.571 27.541 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -18.836 1.279 26.651 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -18.208 2.460 28.395 1.00 60.33 O ATOM 0 H GLU A 68 -14.629 1.785 24.361 1.00 45.01 H new ATOM 0 HA GLU A 68 -15.010 -0.639 25.760 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.758 1.426 26.947 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.076 2.179 26.072 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.904 -0.260 27.487 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -16.234 0.951 28.561 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.371 0.243 23.746 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.648 -0.139 23.161 1.00 31.33 C ATOM 1141 C GLN A 69 -18.529 -1.471 22.429 1.00 54.04 C ATOM 1142 O GLN A 69 -19.362 -2.361 22.598 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.122 0.942 22.189 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.612 0.876 21.893 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.420 1.823 22.758 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.559 3.004 22.441 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.956 1.307 23.858 1.00 70.13 N ATOM 0 H GLN A 69 -16.855 0.939 23.207 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.375 -0.247 23.966 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.884 1.922 22.603 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.569 0.848 21.255 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.781 1.115 20.843 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.965 -0.143 22.049 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -21.814 0.322 24.081 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.510 1.896 24.480 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.491 -1.595 21.608 1.00 3.11 N ATOM 1157 CA GLU A 70 -17.264 -2.814 20.841 1.00 33.15 C ATOM 1158 C GLU A 70 -16.771 -3.947 21.737 1.00 4.01 C ATOM 1159 O GLU A 70 -17.154 -5.102 21.554 1.00 44.01 O ATOM 1160 CB GLU A 70 -16.252 -2.554 19.724 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.554 -1.308 18.907 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.483 -1.586 17.742 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -17.286 -2.611 17.056 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -18.409 -0.778 17.515 1.00 42.42 O ATOM 0 H GLU A 70 -16.794 -0.866 21.457 1.00 3.11 H new ATOM 0 HA GLU A 70 -18.215 -3.116 20.402 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -15.258 -2.460 20.161 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -16.228 -3.417 19.059 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.003 -0.554 19.553 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.620 -0.890 18.531 1.00 12.23 H new ATOM 1171 N MET A 71 -15.917 -3.614 22.704 1.00 72.11 N ATOM 1172 CA MET A 71 -15.374 -4.617 23.620 1.00 42.11 C ATOM 1173 C MET A 71 -16.485 -5.495 24.202 1.00 0.22 C ATOM 1174 O MET A 71 -16.317 -6.706 24.340 1.00 15.12 O ATOM 1175 CB MET A 71 -14.558 -3.937 24.735 1.00 44.14 C ATOM 1176 CG MET A 71 -15.292 -3.772 26.058 1.00 2.34 C ATOM 1177 SD MET A 71 -14.486 -2.594 27.159 1.00 23.31 S ATOM 1178 CE MET A 71 -12.821 -3.246 27.198 1.00 23.35 C ATOM 0 H MET A 71 -15.588 -2.664 22.873 1.00 72.11 H new ATOM 0 HA MET A 71 -14.706 -5.269 23.057 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.653 -4.519 24.909 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.243 -2.954 24.386 1.00 44.14 H new ATOM 0 HG2 MET A 71 -16.313 -3.442 25.864 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.359 -4.740 26.555 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.291 -2.839 28.059 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.857 -4.333 27.274 1.00 23.35 H new ATOM 0 HE3 MET A 71 -12.298 -2.964 26.284 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.622 -4.885 24.530 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.752 -5.629 25.080 1.00 11.44 C ATOM 1190 C VAL A 72 -19.265 -6.646 24.071 1.00 55.10 C ATOM 1191 O VAL A 72 -19.311 -7.842 24.347 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.911 -4.691 25.481 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -21.090 -5.482 26.042 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.432 -3.659 26.487 1.00 54.21 C ATOM 0 H VAL A 72 -17.785 -3.884 24.425 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.393 -6.142 25.972 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.253 -4.172 24.585 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.891 -4.796 26.316 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.452 -6.180 25.287 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.770 -6.036 26.924 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.260 -3.005 26.760 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.060 -4.165 27.378 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.631 -3.065 26.046 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.645 -6.159 22.896 1.00 64.34 N ATOM 1205 CA ASN A 73 -20.156 -7.022 21.837 1.00 33.53 C ATOM 1206 C ASN A 73 -19.196 -8.175 21.542 1.00 45.13 C ATOM 1207 O ASN A 73 -19.585 -9.175 20.938 1.00 11.01 O ATOM 1208 CB ASN A 73 -20.407 -6.210 20.565 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.809 -6.409 20.023 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -22.086 -7.391 19.334 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.701 -5.477 20.334 1.00 43.31 N ATOM 0 H ASN A 73 -19.609 -5.169 22.652 1.00 64.34 H new ATOM 0 HA ASN A 73 -21.098 -7.448 22.182 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.247 -5.152 20.774 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.681 -6.497 19.804 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -23.661 -5.558 19.999 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -22.427 -4.680 20.908 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.942 -8.031 21.960 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.941 -9.062 21.728 1.00 43.41 C ATOM 1220 C PHE A 74 -16.806 -9.995 22.930 1.00 53.44 C ATOM 1221 O PHE A 74 -16.804 -11.217 22.780 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.586 -8.427 21.416 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.535 -9.426 21.027 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.656 -10.156 19.855 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -13.429 -9.638 21.833 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -13.693 -11.079 19.495 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -12.461 -10.560 21.477 1.00 1.20 C ATOM 1228 CZ PHE A 74 -12.594 -11.281 20.307 1.00 14.42 C ATOM 0 H PHE A 74 -17.597 -7.211 22.460 1.00 74.22 H new ATOM 0 HA PHE A 74 -17.272 -9.653 20.874 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.708 -7.706 20.608 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -15.244 -7.872 22.289 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.513 -10.002 19.216 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -13.321 -9.077 22.750 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -13.799 -11.642 18.580 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -11.602 -10.716 22.113 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.840 -12.002 20.027 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.660 -9.413 24.117 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.488 -10.197 25.338 1.00 13.42 C ATOM 1240 C LEU A 75 -17.755 -10.258 26.192 1.00 31.53 C ATOM 1241 O LEU A 75 -18.115 -11.317 26.707 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.344 -9.611 26.170 1.00 43.21 C ATOM 1243 CG LEU A 75 -14.121 -9.157 25.366 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.616 -7.813 25.868 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -13.014 -10.200 25.438 1.00 74.13 C ATOM 0 H LEU A 75 -16.657 -8.403 24.260 1.00 52.12 H new ATOM 0 HA LEU A 75 -16.257 -11.217 25.029 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.725 -8.760 26.734 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -15.025 -10.358 26.897 1.00 43.21 H new ATOM 0 HG LEU A 75 -14.422 -9.044 24.325 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.747 -7.509 25.284 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.403 -7.066 25.763 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.335 -7.899 26.918 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -12.155 -9.859 24.861 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.719 -10.346 26.477 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.375 -11.143 25.028 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.409 -9.115 26.368 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.612 -9.034 27.197 1.00 61.03 C ATOM 1259 C PHE A 76 -20.891 -9.037 26.379 1.00 53.21 C ATOM 1260 O PHE A 76 -21.901 -8.464 26.790 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.581 -7.770 28.017 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.335 -7.621 28.822 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -17.180 -7.139 28.236 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -18.317 -7.963 30.161 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -16.026 -6.999 28.969 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -17.164 -7.826 30.903 1.00 73.25 C ATOM 1267 CZ PHE A 76 -16.019 -7.342 30.304 1.00 10.35 C ATOM 0 H PHE A 76 -18.128 -8.229 25.948 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.612 -9.919 27.833 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.681 -6.912 27.353 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.441 -7.758 28.686 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -17.184 -6.869 27.190 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -19.214 -8.341 30.630 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -15.129 -6.622 28.501 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -17.157 -8.096 31.949 1.00 73.25 H new ATOM 0 HZ PHE A 76 -15.114 -7.232 30.883 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.840 -9.663 25.228 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.992 -9.736 24.336 1.00 1.24 C ATOM 1279 C GLU A 77 -23.113 -10.562 24.957 1.00 64.35 C ATOM 1280 O GLU A 77 -23.534 -11.579 24.405 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.588 -10.334 22.990 1.00 71.23 C ATOM 1282 CG GLU A 77 -22.707 -10.333 21.963 1.00 55.43 C ATOM 1283 CD GLU A 77 -22.653 -11.535 21.041 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.783 -11.558 20.144 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -23.481 -12.454 21.214 1.00 30.04 O ATOM 0 H GLU A 77 -20.008 -10.137 24.877 1.00 54.11 H new ATOM 0 HA GLU A 77 -22.358 -8.722 24.178 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -20.741 -9.774 22.593 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -21.249 -11.358 23.144 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -23.668 -10.318 22.478 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -22.649 -9.421 21.369 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.589 -10.113 26.107 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.656 -10.811 26.795 1.00 62.55 C ATOM 1294 C GLY A 78 -25.202 -10.015 27.961 1.00 72.21 C ATOM 1295 O GLY A 78 -26.411 -9.991 28.194 1.00 64.15 O ATOM 0 H GLY A 78 -23.254 -9.273 26.579 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.462 -11.022 26.092 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -24.287 -11.772 27.154 1.00 62.55 H new