USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= 0.777 K(o=0.78,f=-0.38) USER MOD Set 2.1: A 8 CYS SG : rot -150:sc= -0.0467 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.289 USER MOD Single : A 18 GLN : amide:sc= -3.8! K(o=-3.8!,f=-2.8) USER MOD Single : A 21 GLN : amide:sc= 0.769 K(o=0.77,f=-1.3) USER MOD Single : A 23 TYR OH : rot 0:sc= -0.352 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= -0.334 X(o=-0.33,f=-0.69) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.84) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.0063) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -4.27! C(o=-4.3!,f=-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= -0.0439 K(o=-0.044,f=-1.6!) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.863) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0132) USER MOD Single : A 57 ASN : amide:sc= 0.504 K(o=0.5,f=0) USER MOD Single : A 58 MET CE :methyl 178:sc= -10.3! (180deg=-10.5!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00326 X(o=-0.0033,f=-0.2) USER MOD Single : A 63 HIS : no HD1:sc= -4.01! C(o=-4!,f=-12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 71 MET CE :methyl -172:sc= -6.77! (180deg=-7.31) USER MOD Single : A 73 ASN : amide:sc= -0.478 K(o=-0.48,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.808 -19.117 40.329 1.00 61.43 N ATOM 63 CA THR A 5 -9.396 -19.464 39.041 1.00 75.42 C ATOM 64 C THR A 5 -10.813 -18.911 38.933 1.00 53.15 C ATOM 65 O THR A 5 -11.764 -19.510 39.434 1.00 32.22 O ATOM 66 CB THR A 5 -9.406 -20.983 38.858 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.158 -21.538 39.232 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.693 -21.417 37.438 1.00 34.41 C ATOM 0 HA THR A 5 -8.790 -19.018 38.252 1.00 75.42 H new ATOM 0 HB THR A 5 -10.211 -21.345 39.498 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.711 -20.940 39.867 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.685 -22.506 37.381 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.672 -21.045 37.135 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.930 -21.013 36.773 1.00 34.41 H new ATOM 76 N ILE A 6 -10.942 -17.759 38.284 1.00 1.53 N ATOM 77 CA ILE A 6 -12.239 -17.115 38.117 1.00 33.41 C ATOM 78 C ILE A 6 -13.038 -17.759 36.990 1.00 11.10 C ATOM 79 O ILE A 6 -12.628 -18.767 36.417 1.00 72.21 O ATOM 80 CB ILE A 6 -12.079 -15.606 37.825 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.457 -15.382 36.442 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.230 -14.947 38.904 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.564 -13.954 35.957 1.00 23.21 C ATOM 0 H ILE A 6 -10.163 -17.252 37.865 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.780 -17.244 39.055 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.068 -15.148 37.830 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.406 -15.669 36.474 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.945 -16.039 35.722 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.125 -13.884 38.686 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.712 -15.073 39.874 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.244 -15.412 38.926 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.103 -13.869 34.973 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.614 -13.669 35.892 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.052 -13.293 36.656 1.00 23.21 H new ATOM 95 N PHE A 7 -14.178 -17.156 36.673 1.00 13.34 N ATOM 96 CA PHE A 7 -15.038 -17.650 35.608 1.00 50.22 C ATOM 97 C PHE A 7 -15.193 -16.590 34.525 1.00 42.14 C ATOM 98 O PHE A 7 -15.922 -15.614 34.701 1.00 72.41 O ATOM 99 CB PHE A 7 -16.410 -18.034 36.160 1.00 50.24 C ATOM 100 CG PHE A 7 -17.120 -19.063 35.330 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.759 -20.400 35.401 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.147 -18.695 34.478 1.00 40.51 C ATOM 103 CE1 PHE A 7 -17.410 -21.349 34.636 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.802 -19.639 33.710 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.433 -20.967 33.790 1.00 21.53 C ATOM 0 H PHE A 7 -14.528 -16.320 37.142 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.575 -18.537 35.176 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.292 -18.415 37.174 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.030 -17.140 36.226 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.960 -20.703 36.062 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.440 -17.658 34.413 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -17.120 -22.387 34.699 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.601 -19.338 33.048 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.944 -21.707 33.191 1.00 21.53 H new ATOM 115 N CYS A 8 -14.497 -16.780 33.409 1.00 31.32 N ATOM 116 CA CYS A 8 -14.560 -15.825 32.311 1.00 54.41 C ATOM 117 C CYS A 8 -15.947 -15.832 31.672 1.00 65.22 C ATOM 118 O CYS A 8 -16.620 -16.863 31.643 1.00 34.32 O ATOM 119 CB CYS A 8 -13.479 -16.139 31.273 1.00 24.25 C ATOM 120 SG CYS A 8 -13.326 -14.903 29.964 1.00 51.15 S ATOM 0 H CYS A 8 -13.887 -17.581 33.242 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.376 -14.826 32.706 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.520 -16.234 31.782 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.696 -17.106 30.820 1.00 24.25 H new ATOM 0 HG CYS A 8 -12.917 -15.477 28.871 1.00 51.15 H new ATOM 126 N THR A 9 -16.374 -14.677 31.161 1.00 52.25 N ATOM 127 CA THR A 9 -17.686 -14.560 30.528 1.00 12.21 C ATOM 128 C THR A 9 -17.577 -14.672 29.009 1.00 43.22 C ATOM 129 O THR A 9 -18.549 -15.001 28.329 1.00 73.23 O ATOM 130 CB THR A 9 -18.350 -13.233 30.912 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.712 -13.209 30.515 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.679 -12.019 30.304 1.00 1.45 C ATOM 0 H THR A 9 -15.832 -13.813 31.173 1.00 52.25 H new ATOM 0 HA THR A 9 -18.305 -15.382 30.887 1.00 12.21 H new ATOM 0 HB THR A 9 -18.253 -13.178 31.996 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.113 -12.353 30.773 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.203 -11.117 30.620 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.642 -11.971 30.637 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.708 -12.094 29.217 1.00 1.45 H new ATOM 140 N PHE A 10 -16.387 -14.402 28.484 1.00 65.32 N ATOM 141 CA PHE A 10 -16.147 -14.477 27.048 1.00 62.40 C ATOM 142 C PHE A 10 -16.075 -15.934 26.606 1.00 73.04 C ATOM 143 O PHE A 10 -16.726 -16.336 25.642 1.00 1.33 O ATOM 144 CB PHE A 10 -14.845 -13.751 26.697 1.00 25.33 C ATOM 145 CG PHE A 10 -14.397 -13.955 25.277 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.156 -13.480 24.221 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.213 -14.618 25.001 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.743 -13.662 22.916 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.794 -14.804 23.697 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.560 -14.324 22.654 1.00 24.22 C ATOM 0 H PHE A 10 -15.572 -14.129 29.033 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.971 -13.993 26.524 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.976 -12.684 26.876 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -14.058 -14.093 27.369 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.082 -12.961 24.420 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.610 -14.994 25.814 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.345 -13.287 22.101 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.869 -15.324 23.495 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.234 -14.466 21.634 1.00 24.22 H new ATOM 160 N LEU A 11 -15.290 -16.723 27.331 1.00 73.11 N ATOM 161 CA LEU A 11 -15.142 -18.141 27.033 1.00 31.00 C ATOM 162 C LEU A 11 -16.195 -18.959 27.775 1.00 73.10 C ATOM 163 O LEU A 11 -16.424 -20.125 27.457 1.00 62.15 O ATOM 164 CB LEU A 11 -13.741 -18.624 27.413 1.00 1.01 C ATOM 165 CG LEU A 11 -12.603 -17.668 27.047 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.513 -17.705 28.107 1.00 41.20 C ATOM 167 CD2 LEU A 11 -12.037 -18.016 25.677 1.00 2.01 C ATOM 0 H LEU A 11 -14.745 -16.402 28.132 1.00 73.11 H new ATOM 0 HA LEU A 11 -15.284 -18.280 25.961 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.714 -18.801 28.488 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.560 -19.583 26.927 1.00 1.01 H new ATOM 0 HG LEU A 11 -13.002 -16.654 27.005 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.712 -17.019 27.830 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.930 -17.406 29.069 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -11.114 -18.716 28.183 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -11.229 -17.327 25.432 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.653 -19.036 25.690 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.824 -17.934 24.927 1.00 2.01 H new ATOM 179 N GLN A 12 -16.831 -18.340 28.767 1.00 23.53 N ATOM 180 CA GLN A 12 -17.854 -19.016 29.551 1.00 23.44 C ATOM 181 C GLN A 12 -17.267 -20.235 30.250 1.00 25.43 C ATOM 182 O GLN A 12 -17.897 -21.291 30.318 1.00 51.41 O ATOM 183 CB GLN A 12 -19.024 -19.433 28.658 1.00 53.11 C ATOM 184 CG GLN A 12 -19.973 -18.291 28.326 1.00 64.42 C ATOM 185 CD GLN A 12 -20.605 -17.679 29.561 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.214 -18.374 30.373 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.464 -16.366 29.708 1.00 71.40 N ATOM 0 H GLN A 12 -16.655 -17.374 29.044 1.00 23.53 H new ATOM 0 HA GLN A 12 -18.223 -18.323 30.307 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.632 -19.850 27.730 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.583 -20.227 29.153 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.430 -17.519 27.780 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.758 -18.657 27.664 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.951 -15.827 29.010 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.869 -15.897 30.518 1.00 71.40 H new ATOM 196 N ARG A 13 -16.058 -20.077 30.780 1.00 31.42 N ATOM 197 CA ARG A 13 -15.382 -21.159 31.488 1.00 30.23 C ATOM 198 C ARG A 13 -14.661 -20.619 32.717 1.00 63.10 C ATOM 199 O ARG A 13 -14.828 -19.456 33.084 1.00 64.23 O ATOM 200 CB ARG A 13 -14.377 -21.871 30.574 1.00 73.20 C ATOM 201 CG ARG A 13 -14.655 -21.701 29.090 1.00 72.11 C ATOM 202 CD ARG A 13 -13.893 -22.723 28.258 1.00 24.42 C ATOM 203 NE ARG A 13 -14.754 -23.394 27.286 1.00 51.31 N ATOM 204 CZ ARG A 13 -14.384 -24.460 26.582 1.00 21.21 C ATOM 205 NH1 ARG A 13 -13.173 -24.983 26.738 1.00 22.03 N ATOM 206 NH2 ARG A 13 -15.227 -25.006 25.716 1.00 63.21 N ATOM 0 H ARG A 13 -15.525 -19.208 30.732 1.00 31.42 H new ATOM 0 HA ARG A 13 -16.139 -21.878 31.801 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -13.377 -21.495 30.790 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -14.376 -22.935 30.812 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.724 -21.804 28.905 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.374 -20.695 28.779 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -13.075 -22.227 27.735 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -13.445 -23.466 28.918 1.00 24.42 H new ATOM 0 HE ARG A 13 -15.693 -23.023 27.139 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -12.519 -24.567 27.401 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -12.897 -25.801 26.194 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -16.158 -24.608 25.590 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -14.944 -25.824 25.175 1.00 63.21 H new ATOM 220 N GLU A 14 -13.854 -21.464 33.348 1.00 1.13 N ATOM 221 CA GLU A 14 -13.106 -21.060 34.530 1.00 34.13 C ATOM 222 C GLU A 14 -11.636 -20.835 34.193 1.00 14.15 C ATOM 223 O GLU A 14 -10.924 -21.769 33.824 1.00 14.24 O ATOM 224 CB GLU A 14 -13.236 -22.107 35.636 1.00 13.12 C ATOM 225 CG GLU A 14 -13.386 -21.500 37.020 1.00 33.02 C ATOM 226 CD GLU A 14 -14.088 -22.427 37.993 1.00 62.23 C ATOM 227 OE1 GLU A 14 -15.000 -23.163 37.561 1.00 65.42 O ATOM 228 OE2 GLU A 14 -13.725 -22.418 39.189 1.00 33.53 O ATOM 0 H GLU A 14 -13.702 -22.431 33.061 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.527 -20.120 34.887 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -14.099 -22.740 35.429 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.357 -22.752 35.622 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.400 -21.249 37.411 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.946 -20.568 36.945 1.00 33.02 H new ATOM 235 N ALA A 15 -11.191 -19.590 34.320 1.00 12.03 N ATOM 236 CA ALA A 15 -9.807 -19.238 34.027 1.00 21.22 C ATOM 237 C ALA A 15 -9.252 -18.276 35.070 1.00 54.41 C ATOM 238 O ALA A 15 -9.997 -17.732 35.885 1.00 2.04 O ATOM 239 CB ALA A 15 -9.705 -18.626 32.639 1.00 50.14 C ATOM 0 H ALA A 15 -11.769 -18.807 34.624 1.00 12.03 H new ATOM 0 HA ALA A 15 -9.211 -20.150 34.059 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.667 -18.367 32.431 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -10.055 -19.344 31.898 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.320 -17.727 32.592 1.00 50.14 H new ATOM 245 N GLU A 16 -7.939 -18.070 35.040 1.00 3.04 N ATOM 246 CA GLU A 16 -7.288 -17.169 35.984 1.00 72.43 C ATOM 247 C GLU A 16 -7.819 -15.749 35.828 1.00 31.24 C ATOM 248 O GLU A 16 -8.639 -15.474 34.952 1.00 54.24 O ATOM 249 CB GLU A 16 -5.772 -17.187 35.779 1.00 40.45 C ATOM 250 CG GLU A 16 -5.336 -16.739 34.393 1.00 2.55 C ATOM 251 CD GLU A 16 -3.986 -17.303 33.995 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.074 -17.318 34.847 1.00 44.31 O ATOM 253 OE2 GLU A 16 -3.841 -17.729 32.829 1.00 45.02 O ATOM 0 H GLU A 16 -7.307 -18.514 34.374 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.512 -17.514 36.993 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -5.306 -16.541 36.523 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.402 -18.197 35.958 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -6.084 -17.048 33.663 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.294 -15.650 34.364 1.00 2.55 H new ATOM 260 N GLY A 17 -7.348 -14.849 36.683 1.00 52.13 N ATOM 261 CA GLY A 17 -7.788 -13.468 36.621 1.00 51.12 C ATOM 262 C GLY A 17 -6.631 -12.489 36.634 1.00 22.35 C ATOM 263 O GLY A 17 -5.491 -12.871 36.899 1.00 53.22 O ATOM 0 H GLY A 17 -6.670 -15.051 37.418 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.377 -13.318 35.716 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.444 -13.261 37.466 1.00 51.12 H new ATOM 267 N GLN A 18 -6.923 -11.226 36.349 1.00 21.14 N ATOM 268 CA GLN A 18 -5.896 -10.191 36.330 1.00 54.11 C ATOM 269 C GLN A 18 -5.696 -9.604 37.724 1.00 43.52 C ATOM 270 O GLN A 18 -6.626 -9.559 38.530 1.00 15.54 O ATOM 271 CB GLN A 18 -6.270 -9.086 35.340 1.00 11.52 C ATOM 272 CG GLN A 18 -6.465 -9.589 33.917 1.00 53.05 C ATOM 273 CD GLN A 18 -7.924 -9.823 33.572 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.483 -10.879 33.869 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.549 -8.837 32.939 1.00 14.32 N ATOM 0 H GLN A 18 -7.862 -10.894 36.128 1.00 21.14 H new ATOM 0 HA GLN A 18 -4.959 -10.646 36.009 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.188 -8.603 35.676 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.490 -8.325 35.345 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.043 -8.866 33.220 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -5.911 -10.519 33.786 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.048 -7.978 32.712 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.530 -8.938 32.680 1.00 14.32 H new ATOM 284 N ASP A 19 -4.472 -9.168 38.006 1.00 30.30 N ATOM 285 CA ASP A 19 -4.144 -8.595 39.307 1.00 31.15 C ATOM 286 C ASP A 19 -4.455 -7.101 39.356 1.00 54.34 C ATOM 287 O ASP A 19 -4.722 -6.553 40.425 1.00 62.12 O ATOM 288 CB ASP A 19 -2.667 -8.834 39.629 1.00 61.25 C ATOM 289 CG ASP A 19 -2.474 -9.864 40.724 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.334 -10.762 40.854 1.00 32.45 O ATOM 291 OD2 ASP A 19 -1.462 -9.775 41.451 1.00 63.02 O ATOM 0 H ASP A 19 -3.691 -9.201 37.351 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.763 -9.090 40.055 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.150 -9.164 38.728 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.207 -7.894 39.933 1.00 61.25 H new ATOM 296 N PHE A 20 -4.417 -6.446 38.200 1.00 75.50 N ATOM 297 CA PHE A 20 -4.698 -5.015 38.133 1.00 61.11 C ATOM 298 C PHE A 20 -5.697 -4.700 37.027 1.00 11.10 C ATOM 299 O PHE A 20 -5.566 -5.179 35.902 1.00 10.14 O ATOM 300 CB PHE A 20 -3.407 -4.225 37.907 1.00 42.10 C ATOM 301 CG PHE A 20 -2.528 -4.793 36.828 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.818 -4.573 35.491 1.00 53.11 C ATOM 303 CD2 PHE A 20 -1.411 -5.544 37.153 1.00 62.20 C ATOM 304 CE1 PHE A 20 -2.009 -5.092 34.497 1.00 13.12 C ATOM 305 CE2 PHE A 20 -0.598 -6.066 36.163 1.00 64.11 C ATOM 306 CZ PHE A 20 -0.897 -5.840 34.835 1.00 51.01 C ATOM 0 H PHE A 20 -4.196 -6.878 37.303 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.136 -4.719 39.086 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.662 -3.197 37.651 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -2.845 -4.191 38.840 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.686 -3.989 35.222 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -1.172 -5.724 38.191 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -2.246 -4.913 33.459 1.00 13.12 H new ATOM 0 HE2 PHE A 20 0.270 -6.650 36.429 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.263 -6.247 34.061 1.00 51.01 H new ATOM 316 N GLN A 21 -6.695 -3.887 37.356 1.00 15.34 N ATOM 317 CA GLN A 21 -7.720 -3.503 36.394 1.00 22.42 C ATOM 318 C GLN A 21 -7.102 -2.793 35.191 1.00 75.54 C ATOM 319 O GLN A 21 -6.479 -1.739 35.330 1.00 3.30 O ATOM 320 CB GLN A 21 -8.760 -2.605 37.066 1.00 41.11 C ATOM 321 CG GLN A 21 -10.028 -2.426 36.249 1.00 63.45 C ATOM 322 CD GLN A 21 -11.102 -1.660 36.999 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.481 -2.031 38.110 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.600 -0.587 36.396 1.00 51.02 N ATOM 0 H GLN A 21 -6.815 -3.481 38.284 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.211 -4.408 36.036 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.020 -3.028 38.037 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.317 -1.627 37.253 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.789 -1.899 35.325 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.415 -3.405 35.967 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.257 -0.315 35.475 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.325 -0.035 36.854 1.00 51.02 H new ATOM 333 N LEU A 22 -7.274 -3.383 34.010 1.00 10.45 N ATOM 334 CA LEU A 22 -6.730 -2.816 32.776 1.00 4.02 C ATOM 335 C LEU A 22 -7.523 -1.591 32.329 1.00 35.51 C ATOM 336 O LEU A 22 -6.946 -0.577 31.935 1.00 71.53 O ATOM 337 CB LEU A 22 -6.738 -3.869 31.663 1.00 12.14 C ATOM 338 CG LEU A 22 -5.718 -5.000 31.820 1.00 25.31 C ATOM 339 CD1 LEU A 22 -4.348 -4.445 32.182 1.00 12.30 C ATOM 340 CD2 LEU A 22 -6.189 -5.997 32.869 1.00 4.03 C ATOM 0 H LEU A 22 -7.787 -4.255 33.881 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.705 -2.505 32.977 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.735 -4.307 31.608 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -6.557 -3.369 30.712 1.00 12.14 H new ATOM 0 HG LEU A 22 -5.631 -5.519 30.865 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -3.639 -5.266 32.289 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -4.008 -3.772 31.394 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -4.414 -3.898 33.123 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -5.453 -6.795 32.969 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -6.306 -5.490 33.827 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -7.145 -6.422 32.564 1.00 4.03 H new ATOM 352 N TYR A 23 -8.845 -1.692 32.392 1.00 34.05 N ATOM 353 CA TYR A 23 -9.719 -0.592 31.995 1.00 23.50 C ATOM 354 C TYR A 23 -10.128 0.234 33.216 1.00 25.40 C ATOM 355 O TYR A 23 -9.935 -0.191 34.352 1.00 43.13 O ATOM 356 CB TYR A 23 -10.964 -1.138 31.292 1.00 63.45 C ATOM 357 CG TYR A 23 -11.133 -0.670 29.866 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.057 -0.613 28.991 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.381 -0.286 29.401 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.223 -0.185 27.686 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.557 0.144 28.101 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.475 0.193 27.246 1.00 12.35 C ATOM 363 OH TYR A 23 -11.645 0.620 25.949 1.00 2.05 O ATOM 0 H TYR A 23 -9.337 -2.525 32.715 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.174 0.052 31.305 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.923 -2.227 31.301 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.846 -0.847 31.863 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.076 -0.907 29.334 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.230 -0.324 30.067 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.377 -0.147 27.015 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.536 0.440 27.755 1.00 71.50 H new ATOM 0 HH TYR A 23 -10.784 0.595 25.481 1.00 2.05 H new ATOM 373 N PRO A 24 -10.689 1.435 33.006 1.00 32.24 N ATOM 374 CA PRO A 24 -11.108 2.318 34.096 1.00 11.05 C ATOM 375 C PRO A 24 -12.574 2.131 34.485 1.00 1.33 C ATOM 376 O PRO A 24 -13.241 1.203 34.030 1.00 21.12 O ATOM 377 CB PRO A 24 -10.925 3.679 33.451 1.00 65.33 C ATOM 378 CG PRO A 24 -11.416 3.450 32.064 1.00 43.20 C ATOM 379 CD PRO A 24 -10.949 2.058 31.693 1.00 63.42 C ATOM 0 HA PRO A 24 -10.552 2.145 35.017 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.500 4.451 33.962 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -9.883 3.997 33.465 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.502 3.525 32.015 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.014 4.195 31.377 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.708 1.514 31.131 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.052 2.085 31.074 1.00 63.42 H new ATOM 387 N GLY A 25 -13.063 3.051 35.315 1.00 62.31 N ATOM 388 CA GLY A 25 -14.448 3.033 35.759 1.00 55.53 C ATOM 389 C GLY A 25 -15.003 1.649 36.030 1.00 61.45 C ATOM 390 O GLY A 25 -14.292 0.757 36.496 1.00 31.03 O ATOM 0 H GLY A 25 -12.513 3.822 35.694 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.533 3.629 36.668 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.065 3.516 35.002 1.00 55.53 H new ATOM 394 N GLU A 26 -16.291 1.488 35.748 1.00 34.32 N ATOM 395 CA GLU A 26 -16.983 0.222 35.969 1.00 25.33 C ATOM 396 C GLU A 26 -16.621 -0.800 34.900 1.00 14.12 C ATOM 397 O GLU A 26 -16.448 -1.983 35.192 1.00 61.02 O ATOM 398 CB GLU A 26 -18.499 0.443 35.975 1.00 60.13 C ATOM 399 CG GLU A 26 -18.990 1.295 37.133 1.00 32.34 C ATOM 400 CD GLU A 26 -18.678 2.767 36.949 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.317 3.407 36.088 1.00 44.40 O ATOM 402 OE2 GLU A 26 -17.792 3.281 37.666 1.00 61.30 O ATOM 0 H GLU A 26 -16.882 2.225 35.363 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.667 -0.166 36.937 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.791 0.917 35.038 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.998 -0.525 36.012 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -20.067 1.167 37.242 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.532 0.943 38.057 1.00 32.34 H new ATOM 409 N LEU A 27 -16.514 -0.339 33.660 1.00 43.20 N ATOM 410 CA LEU A 27 -16.178 -1.216 32.545 1.00 70.03 C ATOM 411 C LEU A 27 -14.935 -2.047 32.858 1.00 3.24 C ATOM 412 O LEU A 27 -14.957 -3.270 32.769 1.00 43.43 O ATOM 413 CB LEU A 27 -15.969 -0.397 31.271 1.00 42.54 C ATOM 414 CG LEU A 27 -16.584 -1.006 30.010 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.078 -2.423 29.807 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.105 -0.985 30.089 1.00 51.13 C ATOM 0 H LEU A 27 -16.655 0.637 33.401 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.010 -1.902 32.387 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.391 0.597 31.421 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.899 -0.267 31.110 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.280 -0.405 29.153 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.524 -2.843 28.906 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -14.993 -2.410 29.703 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.353 -3.034 30.667 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.523 -1.423 29.182 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.432 -1.562 30.954 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.450 0.044 30.187 1.00 51.13 H new ATOM 428 N GLY A 28 -13.855 -1.378 33.230 1.00 3.43 N ATOM 429 CA GLY A 28 -12.628 -2.082 33.558 1.00 70.33 C ATOM 430 C GLY A 28 -12.809 -3.076 34.687 1.00 53.45 C ATOM 431 O GLY A 28 -12.130 -4.102 34.737 1.00 64.53 O ATOM 0 H GLY A 28 -13.803 -0.363 33.311 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.266 -2.605 32.673 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.862 -1.358 33.836 1.00 70.33 H new ATOM 435 N LYS A 29 -13.728 -2.770 35.595 1.00 41.30 N ATOM 436 CA LYS A 29 -13.997 -3.642 36.732 1.00 11.31 C ATOM 437 C LYS A 29 -14.536 -4.997 36.275 1.00 74.12 C ATOM 438 O LYS A 29 -14.125 -6.039 36.784 1.00 50.10 O ATOM 439 CB LYS A 29 -14.990 -2.975 37.684 1.00 13.40 C ATOM 440 CG LYS A 29 -14.608 -3.107 39.148 1.00 74.43 C ATOM 441 CD LYS A 29 -15.797 -2.845 40.060 1.00 54.40 C ATOM 442 CE LYS A 29 -16.333 -4.133 40.664 1.00 33.14 C ATOM 443 NZ LYS A 29 -16.134 -4.179 42.139 1.00 73.52 N ATOM 0 H LYS A 29 -14.299 -1.925 35.566 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.057 -3.812 37.257 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.069 -1.918 37.431 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.976 -3.414 37.533 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.218 -4.108 39.335 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.808 -2.405 39.381 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -15.501 -2.164 40.858 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.587 -2.351 39.495 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -17.395 -4.226 40.438 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -15.834 -4.985 40.203 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -16.513 -5.073 42.513 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -15.118 -4.116 42.354 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -16.632 -3.380 42.582 1.00 73.52 H new ATOM 457 N ARG A 30 -15.461 -4.975 35.320 1.00 14.42 N ATOM 458 CA ARG A 30 -16.057 -6.206 34.806 1.00 74.43 C ATOM 459 C ARG A 30 -15.045 -7.015 33.990 1.00 51.04 C ATOM 460 O ARG A 30 -15.021 -8.240 34.070 1.00 65.32 O ATOM 461 CB ARG A 30 -17.309 -5.902 33.973 1.00 42.34 C ATOM 462 CG ARG A 30 -17.053 -4.976 32.802 1.00 12.00 C ATOM 463 CD ARG A 30 -18.324 -4.284 32.343 1.00 64.35 C ATOM 464 NE ARG A 30 -19.108 -5.125 31.443 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.407 -5.371 31.591 1.00 44.23 C ATOM 466 NH1 ARG A 30 -21.089 -4.834 32.595 1.00 71.24 N ATOM 467 NH2 ARG A 30 -21.029 -6.155 30.725 1.00 70.40 N ATOM 0 H ARG A 30 -15.814 -4.122 34.887 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.356 -6.811 35.662 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.722 -6.839 33.600 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.065 -5.455 34.619 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.313 -4.227 33.086 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.630 -5.545 31.974 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.928 -4.021 33.211 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -18.068 -3.352 31.838 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.629 -5.551 30.650 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.617 -4.225 33.264 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -22.085 -5.030 32.698 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.513 -6.568 29.948 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -22.025 -6.347 30.834 1.00 70.40 H new ATOM 481 N ILE A 31 -14.197 -6.332 33.218 1.00 42.52 N ATOM 482 CA ILE A 31 -13.178 -7.017 32.418 1.00 44.44 C ATOM 483 C ILE A 31 -12.191 -7.716 33.332 1.00 73.55 C ATOM 484 O ILE A 31 -12.023 -8.935 33.287 1.00 62.43 O ATOM 485 CB ILE A 31 -12.405 -6.037 31.504 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.363 -5.285 30.586 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.357 -6.775 30.680 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.069 -3.807 30.508 1.00 24.11 C ATOM 0 H ILE A 31 -14.194 -5.316 33.130 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.693 -7.741 31.787 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.896 -5.315 32.142 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.310 -5.713 29.585 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.384 -5.428 30.940 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -10.827 -6.065 30.045 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.648 -7.265 31.348 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -11.845 -7.524 30.057 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.785 -3.328 29.840 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -13.150 -3.367 31.502 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.059 -3.657 30.126 1.00 24.11 H new ATOM 500 N TYR A 32 -11.549 -6.922 34.166 1.00 64.50 N ATOM 501 CA TYR A 32 -10.575 -7.423 35.115 1.00 23.32 C ATOM 502 C TYR A 32 -11.184 -8.505 36.015 1.00 71.21 C ATOM 503 O TYR A 32 -10.457 -9.271 36.649 1.00 4.24 O ATOM 504 CB TYR A 32 -10.034 -6.245 35.931 1.00 61.31 C ATOM 505 CG TYR A 32 -9.692 -6.567 37.365 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.686 -6.670 38.329 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.374 -6.761 37.752 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.372 -6.959 39.644 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.053 -7.049 39.063 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.054 -7.148 40.006 1.00 75.01 C ATOM 511 OH TYR A 32 -8.737 -7.434 41.314 1.00 23.44 O ATOM 0 H TYR A 32 -11.688 -5.912 34.205 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.751 -7.894 34.580 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.141 -5.860 35.438 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.774 -5.445 35.920 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.718 -6.522 38.048 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.587 -6.686 37.016 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.155 -7.036 40.384 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.022 -7.196 39.349 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.766 -7.539 41.400 1.00 23.44 H new ATOM 521 N ASN A 33 -12.515 -8.557 36.082 1.00 73.34 N ATOM 522 CA ASN A 33 -13.195 -9.542 36.925 1.00 54.32 C ATOM 523 C ASN A 33 -13.716 -10.746 36.132 1.00 71.34 C ATOM 524 O ASN A 33 -13.420 -11.892 36.470 1.00 44.01 O ATOM 525 CB ASN A 33 -14.354 -8.885 37.675 1.00 0.31 C ATOM 526 CG ASN A 33 -13.915 -8.284 38.996 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.134 -8.884 39.735 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.414 -7.092 39.298 1.00 61.25 N ATOM 0 H ASN A 33 -13.139 -7.935 35.568 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.453 -9.914 37.631 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.793 -8.106 37.051 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.133 -9.625 37.856 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.153 -6.637 40.173 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.058 -6.631 38.655 1.00 61.25 H new ATOM 535 N GLU A 34 -14.522 -10.488 35.105 1.00 11.44 N ATOM 536 CA GLU A 34 -15.109 -11.567 34.307 1.00 12.01 C ATOM 537 C GLU A 34 -14.297 -11.883 33.053 1.00 33.04 C ATOM 538 O GLU A 34 -14.460 -12.946 32.462 1.00 14.34 O ATOM 539 CB GLU A 34 -16.543 -11.212 33.911 1.00 14.34 C ATOM 540 CG GLU A 34 -17.496 -11.135 35.091 1.00 71.44 C ATOM 541 CD GLU A 34 -17.838 -12.501 35.655 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.254 -13.380 34.872 1.00 60.04 O ATOM 543 OE2 GLU A 34 -17.687 -12.692 36.881 1.00 51.51 O ATOM 0 H GLU A 34 -14.784 -9.549 34.805 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.103 -12.459 34.934 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.541 -10.253 33.392 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -16.911 -11.956 33.205 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.049 -10.524 35.875 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.413 -10.634 34.781 1.00 71.44 H new ATOM 550 N ILE A 35 -13.430 -10.973 32.643 1.00 41.23 N ATOM 551 CA ILE A 35 -12.614 -11.194 31.458 1.00 15.01 C ATOM 552 C ILE A 35 -11.180 -11.549 31.843 1.00 22.10 C ATOM 553 O ILE A 35 -10.355 -10.671 32.095 1.00 72.42 O ATOM 554 CB ILE A 35 -12.627 -9.960 30.532 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.062 -9.654 30.094 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.736 -10.187 29.319 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.816 -10.872 29.616 1.00 44.35 C ATOM 0 H ILE A 35 -13.272 -10.079 33.109 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.046 -12.034 30.914 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.235 -9.105 31.083 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.601 -9.207 30.929 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.040 -8.913 29.295 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.760 -9.305 28.680 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.713 -10.369 29.648 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.096 -11.050 28.759 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.825 -10.583 29.321 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.299 -11.308 28.761 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.869 -11.606 30.420 1.00 44.35 H new ATOM 569 N SER A 36 -10.901 -12.848 31.887 1.00 32.24 N ATOM 570 CA SER A 36 -9.576 -13.342 32.245 1.00 70.31 C ATOM 571 C SER A 36 -8.519 -12.823 31.278 1.00 1.11 C ATOM 572 O SER A 36 -8.812 -12.013 30.397 1.00 2.44 O ATOM 573 CB SER A 36 -9.566 -14.872 32.252 1.00 53.15 C ATOM 574 OG SER A 36 -9.600 -15.388 30.932 1.00 41.34 O ATOM 0 H SER A 36 -11.579 -13.581 31.678 1.00 32.24 H new ATOM 0 HA SER A 36 -9.339 -12.976 33.244 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.673 -15.231 32.763 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.424 -15.242 32.813 1.00 53.15 H new ATOM 0 HG SER A 36 -9.591 -16.367 30.963 1.00 41.34 H new ATOM 580 N LYS A 37 -7.289 -13.298 31.444 1.00 42.00 N ATOM 581 CA LYS A 37 -6.187 -12.889 30.582 1.00 52.25 C ATOM 582 C LYS A 37 -6.326 -13.525 29.204 1.00 52.31 C ATOM 583 O LYS A 37 -5.978 -12.922 28.189 1.00 14.05 O ATOM 584 CB LYS A 37 -4.849 -13.288 31.208 1.00 71.22 C ATOM 585 CG LYS A 37 -4.451 -12.429 32.397 1.00 2.54 C ATOM 586 CD LYS A 37 -2.970 -12.569 32.711 1.00 32.52 C ATOM 587 CE LYS A 37 -2.675 -12.268 34.173 1.00 55.32 C ATOM 588 NZ LYS A 37 -2.160 -13.466 34.894 1.00 43.10 N ATOM 0 H LYS A 37 -7.030 -13.968 32.169 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.218 -11.805 30.473 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.902 -14.330 31.525 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.070 -13.226 30.449 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.683 -11.385 32.187 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.038 -12.717 33.269 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.642 -13.581 32.474 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.398 -11.892 32.077 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -1.943 -11.463 34.237 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.583 -11.913 34.661 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.971 -13.219 35.887 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -2.869 -14.226 34.855 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.280 -13.790 34.445 1.00 43.10 H new ATOM 602 N GLU A 38 -6.836 -14.752 29.181 1.00 41.40 N ATOM 603 CA GLU A 38 -7.026 -15.486 27.936 1.00 54.20 C ATOM 604 C GLU A 38 -7.898 -14.700 26.961 1.00 31.43 C ATOM 605 O GLU A 38 -7.542 -14.533 25.795 1.00 60.21 O ATOM 606 CB GLU A 38 -7.663 -16.846 28.220 1.00 41.40 C ATOM 607 CG GLU A 38 -7.648 -17.788 27.027 1.00 62.41 C ATOM 608 CD GLU A 38 -8.513 -19.014 27.246 1.00 30.14 C ATOM 609 OE1 GLU A 38 -8.514 -19.545 28.376 1.00 72.33 O ATOM 610 OE2 GLU A 38 -9.189 -19.442 26.287 1.00 54.15 O ATOM 0 H GLU A 38 -7.126 -15.261 30.016 1.00 41.40 H new ATOM 0 HA GLU A 38 -6.048 -15.633 27.479 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.138 -17.317 29.051 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.694 -16.695 28.540 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.996 -17.255 26.142 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -6.623 -18.101 26.828 1.00 62.41 H new ATOM 617 N ALA A 39 -9.040 -14.223 27.445 1.00 51.41 N ATOM 618 CA ALA A 39 -9.960 -13.459 26.611 1.00 63.44 C ATOM 619 C ALA A 39 -9.416 -12.060 26.332 1.00 13.12 C ATOM 620 O ALA A 39 -9.617 -11.513 25.249 1.00 44.04 O ATOM 621 CB ALA A 39 -11.329 -13.381 27.271 1.00 12.31 C ATOM 0 H ALA A 39 -9.350 -14.352 28.408 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.062 -13.974 25.656 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.006 -12.808 26.638 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.725 -14.387 27.408 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.238 -12.892 28.241 1.00 12.31 H new ATOM 627 N TRP A 40 -8.724 -11.489 27.314 1.00 21.45 N ATOM 628 CA TRP A 40 -8.147 -10.156 27.168 1.00 64.40 C ATOM 629 C TRP A 40 -7.103 -10.141 26.058 1.00 11.24 C ATOM 630 O TRP A 40 -7.036 -9.201 25.267 1.00 3.30 O ATOM 631 CB TRP A 40 -7.513 -9.702 28.484 1.00 22.34 C ATOM 632 CG TRP A 40 -7.241 -8.228 28.541 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.037 -7.625 28.763 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.194 -7.173 28.376 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.183 -6.257 28.747 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.499 -5.956 28.512 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.568 -7.139 28.125 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.134 -4.719 28.408 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.195 -5.912 28.021 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.478 -4.718 28.162 1.00 72.40 C ATOM 0 H TRP A 40 -8.549 -11.928 28.218 1.00 21.45 H new ATOM 0 HA TRP A 40 -8.948 -9.466 26.904 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.172 -9.974 29.308 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.578 -10.242 28.633 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.105 -8.146 28.927 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.435 -5.578 28.887 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.130 -8.055 28.014 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.584 -3.796 28.518 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.257 -5.874 27.828 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -9.998 -3.776 28.074 1.00 72.40 H new ATOM 651 N ALA A 41 -6.290 -11.191 26.004 1.00 22.20 N ATOM 652 CA ALA A 41 -5.251 -11.299 24.989 1.00 53.14 C ATOM 653 C ALA A 41 -5.858 -11.333 23.594 1.00 42.33 C ATOM 654 O ALA A 41 -5.235 -10.900 22.625 1.00 53.05 O ATOM 655 CB ALA A 41 -4.396 -12.533 25.231 1.00 23.01 C ATOM 0 H ALA A 41 -6.331 -11.978 26.651 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.613 -10.418 25.059 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.625 -12.598 24.463 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -3.926 -12.463 26.212 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.023 -13.424 25.191 1.00 23.01 H new ATOM 661 N GLN A 42 -7.087 -11.835 23.497 1.00 45.32 N ATOM 662 CA GLN A 42 -7.780 -11.900 22.218 1.00 24.31 C ATOM 663 C GLN A 42 -8.393 -10.547 21.892 1.00 23.11 C ATOM 664 O GLN A 42 -8.501 -10.165 20.727 1.00 73.11 O ATOM 665 CB GLN A 42 -8.866 -12.978 22.244 1.00 64.34 C ATOM 666 CG GLN A 42 -8.423 -14.272 22.906 1.00 12.21 C ATOM 667 CD GLN A 42 -9.078 -15.495 22.293 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.254 -15.467 21.929 1.00 75.14 O ATOM 669 NE2 GLN A 42 -8.317 -16.577 22.178 1.00 44.42 N ATOM 0 H GLN A 42 -7.619 -12.201 24.287 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.057 -12.161 21.445 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.738 -12.590 22.770 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.179 -13.191 21.222 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.340 -14.365 22.825 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.660 -14.232 23.969 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -7.347 -16.554 22.493 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -8.702 -17.431 21.774 1.00 44.42 H new ATOM 678 N TRP A 43 -8.781 -9.818 22.935 1.00 55.12 N ATOM 679 CA TRP A 43 -9.365 -8.499 22.763 1.00 54.33 C ATOM 680 C TRP A 43 -8.286 -7.500 22.356 1.00 32.20 C ATOM 681 O TRP A 43 -8.448 -6.758 21.388 1.00 45.45 O ATOM 682 CB TRP A 43 -10.052 -8.037 24.055 1.00 21.24 C ATOM 683 CG TRP A 43 -10.239 -6.552 24.127 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.687 -5.700 25.040 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.019 -5.744 23.242 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.080 -4.410 24.776 1.00 3.05 N ATOM 687 CE2 TRP A 43 -10.898 -4.411 23.677 1.00 43.44 C ATOM 688 CE3 TRP A 43 -11.810 -6.018 22.121 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.538 -3.356 23.030 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.444 -4.971 21.481 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.305 -3.654 21.936 1.00 23.41 C ATOM 0 H TRP A 43 -8.700 -10.121 23.905 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.116 -8.553 21.975 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.024 -8.523 24.135 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.460 -8.364 24.910 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.037 -5.996 25.850 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -9.807 -3.586 25.311 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -11.923 -7.030 21.762 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.433 -2.339 23.379 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.057 -5.171 20.615 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -12.813 -2.857 21.413 1.00 23.41 H new ATOM 702 N GLN A 44 -7.180 -7.491 23.099 1.00 51.52 N ATOM 703 CA GLN A 44 -6.070 -6.586 22.811 1.00 3.30 C ATOM 704 C GLN A 44 -5.709 -6.633 21.330 1.00 74.45 C ATOM 705 O GLN A 44 -5.480 -5.600 20.700 1.00 32.54 O ATOM 706 CB GLN A 44 -4.848 -6.951 23.656 1.00 73.54 C ATOM 707 CG GLN A 44 -5.166 -7.161 25.128 1.00 4.42 C ATOM 708 CD GLN A 44 -4.376 -6.235 26.032 1.00 41.44 C ATOM 709 OE1 GLN A 44 -3.432 -6.657 26.700 1.00 2.02 O ATOM 710 NE2 GLN A 44 -4.760 -4.963 26.056 1.00 2.33 N ATOM 0 H GLN A 44 -7.030 -8.100 23.904 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.384 -5.573 23.063 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.399 -7.860 23.257 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.103 -6.161 23.563 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.232 -7.001 25.292 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.953 -8.195 25.398 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -5.548 -4.657 25.485 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.266 -4.292 26.645 1.00 2.33 H new ATOM 719 N HIS A 45 -5.667 -7.842 20.784 1.00 5.13 N ATOM 720 CA HIS A 45 -5.341 -8.037 19.377 1.00 12.51 C ATOM 721 C HIS A 45 -6.425 -7.435 18.485 1.00 52.13 C ATOM 722 O HIS A 45 -6.143 -6.963 17.383 1.00 22.04 O ATOM 723 CB HIS A 45 -5.171 -9.531 19.076 1.00 61.45 C ATOM 724 CG HIS A 45 -5.108 -9.851 17.614 1.00 44.53 C ATOM 725 ND1 HIS A 45 -3.923 -10.009 16.927 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.095 -10.043 16.707 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.182 -10.282 15.660 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.492 -10.309 15.501 1.00 45.21 N ATOM 0 H HIS A 45 -5.855 -8.704 21.296 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.401 -7.527 19.165 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.259 -9.887 19.556 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.001 -10.079 19.523 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.157 -9.996 16.896 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.447 -10.454 14.887 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -5.978 -10.497 14.624 1.00 45.21 H new ATOM 736 N LYS A 46 -7.663 -7.451 18.969 1.00 55.53 N ATOM 737 CA LYS A 46 -8.786 -6.902 18.215 1.00 40.11 C ATOM 738 C LYS A 46 -8.925 -5.404 18.461 1.00 73.41 C ATOM 739 O LYS A 46 -9.439 -4.672 17.622 1.00 51.20 O ATOM 740 CB LYS A 46 -10.085 -7.613 18.595 1.00 2.14 C ATOM 741 CG LYS A 46 -11.283 -7.176 17.766 1.00 34.23 C ATOM 742 CD LYS A 46 -11.543 -8.133 16.612 1.00 13.22 C ATOM 743 CE LYS A 46 -12.963 -8.678 16.647 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.327 -9.362 15.375 1.00 74.13 N ATOM 0 H LYS A 46 -7.914 -7.838 19.879 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.590 -7.064 17.155 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -9.948 -8.688 18.481 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.296 -7.428 19.648 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.167 -7.123 18.402 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.110 -6.173 17.376 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.373 -7.618 15.666 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -10.834 -8.960 16.657 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.063 -9.378 17.477 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.661 -7.861 16.833 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.302 -9.719 15.439 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.256 -8.688 14.586 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -12.677 -10.157 15.210 1.00 74.13 H new ATOM 758 N GLN A 47 -8.465 -4.950 19.617 1.00 52.34 N ATOM 759 CA GLN A 47 -8.542 -3.539 19.959 1.00 41.35 C ATOM 760 C GLN A 47 -7.645 -2.717 19.039 1.00 55.42 C ATOM 761 O GLN A 47 -8.082 -1.735 18.441 1.00 61.23 O ATOM 762 CB GLN A 47 -8.134 -3.330 21.419 1.00 50.34 C ATOM 763 CG GLN A 47 -8.116 -1.872 21.847 1.00 75.45 C ATOM 764 CD GLN A 47 -8.171 -1.711 23.353 1.00 54.04 C ATOM 765 OE1 GLN A 47 -9.125 -2.142 24.001 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.146 -1.086 23.919 1.00 24.34 N ATOM 0 H GLN A 47 -8.036 -5.537 20.332 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.571 -3.205 19.828 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -8.822 -3.879 22.061 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.143 -3.757 21.575 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -7.213 -1.396 21.466 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -8.963 -1.354 21.398 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -6.376 -0.745 23.344 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -7.128 -0.947 24.929 1.00 24.34 H new ATOM 775 N THR A 48 -6.387 -3.128 18.939 1.00 2.31 N ATOM 776 CA THR A 48 -5.412 -2.435 18.106 1.00 41.14 C ATOM 777 C THR A 48 -5.907 -2.252 16.671 1.00 32.32 C ATOM 778 O THR A 48 -5.660 -1.215 16.055 1.00 11.51 O ATOM 779 CB THR A 48 -4.088 -3.201 18.102 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.069 -2.435 17.486 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.164 -4.529 17.377 1.00 22.44 C ATOM 0 H THR A 48 -6.016 -3.943 19.428 1.00 2.31 H new ATOM 0 HA THR A 48 -5.265 -1.443 18.534 1.00 41.14 H new ATOM 0 HB THR A 48 -3.862 -3.391 19.151 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.230 -2.941 17.494 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.191 -5.019 17.413 1.00 22.44 H new ATOM 0 HG22 THR A 48 -4.908 -5.164 17.858 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.448 -4.361 16.338 1.00 22.44 H new ATOM 789 N MET A 49 -6.593 -3.258 16.135 1.00 63.31 N ATOM 790 CA MET A 49 -7.095 -3.183 14.765 1.00 24.21 C ATOM 791 C MET A 49 -8.383 -2.369 14.690 1.00 40.42 C ATOM 792 O MET A 49 -8.622 -1.667 13.708 1.00 5.35 O ATOM 793 CB MET A 49 -7.322 -4.585 14.189 1.00 25.43 C ATOM 794 CG MET A 49 -8.057 -5.523 15.128 1.00 13.45 C ATOM 795 SD MET A 49 -9.146 -6.668 14.257 1.00 74.20 S ATOM 796 CE MET A 49 -7.964 -7.875 13.661 1.00 41.13 C ATOM 0 H MET A 49 -6.813 -4.127 16.622 1.00 63.31 H new ATOM 0 HA MET A 49 -6.337 -2.678 14.166 1.00 24.21 H new ATOM 0 HB2 MET A 49 -7.887 -4.499 13.261 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.357 -5.023 13.935 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.331 -6.090 15.710 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.644 -4.937 15.835 1.00 13.45 H new ATOM 0 HE1 MET A 49 -8.487 -8.650 13.101 1.00 41.13 H new ATOM 0 HE2 MET A 49 -7.239 -7.384 13.011 1.00 41.13 H new ATOM 0 HE3 MET A 49 -7.446 -8.326 14.508 1.00 41.13 H new ATOM 806 N LEU A 50 -9.209 -2.458 15.727 1.00 10.12 N ATOM 807 CA LEU A 50 -10.463 -1.713 15.755 1.00 72.50 C ATOM 808 C LEU A 50 -10.193 -0.212 15.782 1.00 24.05 C ATOM 809 O LEU A 50 -10.971 0.576 15.253 1.00 31.33 O ATOM 810 CB LEU A 50 -11.312 -2.122 16.963 1.00 35.02 C ATOM 811 CG LEU A 50 -12.002 -3.484 16.846 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.788 -3.795 18.111 1.00 23.33 C ATOM 813 CD2 LEU A 50 -12.913 -3.528 15.626 1.00 64.03 C ATOM 0 H LEU A 50 -9.036 -3.033 16.552 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.019 -1.951 14.848 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.675 -2.130 17.848 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.074 -1.360 17.126 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.232 -4.245 16.722 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.271 -4.767 18.009 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.111 -3.814 18.965 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.546 -3.027 18.266 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.392 -4.505 15.564 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.676 -2.755 15.714 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.324 -3.355 14.725 1.00 64.03 H new ATOM 825 N ILE A 51 -9.079 0.177 16.389 1.00 21.21 N ATOM 826 CA ILE A 51 -8.707 1.586 16.465 1.00 51.32 C ATOM 827 C ILE A 51 -8.133 2.058 15.138 1.00 51.43 C ATOM 828 O ILE A 51 -8.388 3.180 14.698 1.00 23.00 O ATOM 829 CB ILE A 51 -7.677 1.831 17.588 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.255 1.382 18.929 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.264 3.300 17.645 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.338 1.650 20.096 1.00 32.24 C ATOM 0 H ILE A 51 -8.419 -0.460 16.835 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.610 2.154 16.690 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.784 1.244 17.372 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.203 1.893 19.097 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.471 0.315 18.884 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.538 3.443 18.445 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.817 3.590 16.694 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.142 3.917 17.837 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -7.810 1.307 21.016 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.398 1.117 19.950 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.142 2.720 20.166 1.00 32.24 H new ATOM 844 N ASN A 52 -7.356 1.192 14.506 1.00 53.30 N ATOM 845 CA ASN A 52 -6.736 1.506 13.229 1.00 52.52 C ATOM 846 C ASN A 52 -7.735 1.376 12.080 1.00 23.31 C ATOM 847 O ASN A 52 -7.666 2.120 11.101 1.00 63.50 O ATOM 848 CB ASN A 52 -5.544 0.582 12.995 1.00 74.33 C ATOM 849 CG ASN A 52 -4.335 0.979 13.820 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.258 2.098 14.330 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.384 0.064 13.958 1.00 75.53 N ATOM 0 H ASN A 52 -7.139 0.260 14.860 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.394 2.541 13.260 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.827 -0.442 13.240 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.279 0.595 11.938 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.548 0.275 14.504 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.489 -0.850 13.518 1.00 75.53 H new ATOM 858 N GLU A 53 -8.660 0.427 12.200 1.00 22.35 N ATOM 859 CA GLU A 53 -9.665 0.206 11.162 1.00 2.12 C ATOM 860 C GLU A 53 -10.782 1.240 11.252 1.00 0.01 C ATOM 861 O GLU A 53 -11.079 1.932 10.278 1.00 44.44 O ATOM 862 CB GLU A 53 -10.252 -1.200 11.284 1.00 54.44 C ATOM 863 CG GLU A 53 -11.237 -1.546 10.178 1.00 72.53 C ATOM 864 CD GLU A 53 -10.555 -1.825 8.853 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.531 -1.173 8.563 1.00 3.25 O ATOM 866 OE2 GLU A 53 -11.045 -2.698 8.106 1.00 64.12 O ATOM 0 H GLU A 53 -8.735 -0.199 13.002 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.176 0.309 10.194 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.439 -1.926 11.276 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.753 -1.293 12.248 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.817 -2.420 10.474 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -11.941 -0.723 10.053 1.00 72.53 H new ATOM 873 N LYS A 54 -11.388 1.351 12.428 1.00 2.21 N ATOM 874 CA LYS A 54 -12.462 2.315 12.640 1.00 51.31 C ATOM 875 C LYS A 54 -11.898 3.729 12.773 1.00 13.10 C ATOM 876 O LYS A 54 -12.649 4.703 12.843 1.00 20.24 O ATOM 877 CB LYS A 54 -13.276 1.959 13.888 1.00 24.31 C ATOM 878 CG LYS A 54 -14.227 0.787 13.685 1.00 71.11 C ATOM 879 CD LYS A 54 -13.512 -0.551 13.813 1.00 44.52 C ATOM 880 CE LYS A 54 -13.670 -1.398 12.559 1.00 52.22 C ATOM 881 NZ LYS A 54 -14.491 -2.616 12.809 1.00 54.31 N ATOM 0 H LYS A 54 -11.156 0.788 13.246 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.121 2.278 11.772 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.591 1.723 14.702 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.850 2.832 14.198 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.032 0.841 14.418 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.688 0.860 12.700 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.453 -0.380 14.005 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.908 -1.094 14.671 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.136 -0.801 11.775 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -12.686 -1.692 12.194 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -14.994 -2.880 11.938 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -13.871 -3.398 13.102 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -15.181 -2.421 13.562 1.00 54.31 H new ATOM 895 N LYS A 55 -10.570 3.835 12.806 1.00 43.42 N ATOM 896 CA LYS A 55 -9.906 5.124 12.929 1.00 74.11 C ATOM 897 C LYS A 55 -10.282 5.804 14.238 1.00 31.21 C ATOM 898 O LYS A 55 -10.867 6.887 14.242 1.00 5.25 O ATOM 899 CB LYS A 55 -10.264 6.023 11.744 1.00 72.23 C ATOM 900 CG LYS A 55 -9.307 5.890 10.570 1.00 12.00 C ATOM 901 CD LYS A 55 -7.934 6.452 10.903 1.00 1.15 C ATOM 902 CE LYS A 55 -7.928 7.972 10.865 1.00 24.22 C ATOM 903 NZ LYS A 55 -7.903 8.494 9.470 1.00 61.25 N ATOM 0 H LYS A 55 -9.935 3.039 12.749 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.829 4.953 12.928 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.273 5.784 11.409 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -10.276 7.061 12.076 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -9.214 4.840 10.292 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -9.715 6.413 9.705 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -7.631 6.111 11.893 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -7.201 6.067 10.195 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -8.812 8.351 11.378 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -7.059 8.345 11.408 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -7.831 9.531 9.489 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -7.083 8.099 8.966 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -8.777 8.216 8.980 1.00 61.25 H new ATOM 917 N LEU A 56 -9.938 5.163 15.350 1.00 30.41 N ATOM 918 CA LEU A 56 -10.236 5.710 16.664 1.00 52.41 C ATOM 919 C LEU A 56 -9.105 6.629 17.128 1.00 51.14 C ATOM 920 O LEU A 56 -8.163 6.891 16.380 1.00 44.51 O ATOM 921 CB LEU A 56 -10.457 4.574 17.670 1.00 75.54 C ATOM 922 CG LEU A 56 -11.752 3.775 17.475 1.00 34.35 C ATOM 923 CD1 LEU A 56 -11.894 2.713 18.553 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.965 4.695 17.476 1.00 14.14 C ATOM 0 H LEU A 56 -9.453 4.266 15.365 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.150 6.300 16.600 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.612 3.888 17.611 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.456 4.995 18.676 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.699 3.281 16.505 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.819 2.157 18.397 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.047 2.029 18.504 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -11.918 3.190 19.533 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.870 4.104 17.336 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.020 5.223 18.428 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.874 5.417 16.665 1.00 14.14 H new ATOM 936 N ASN A 57 -9.205 7.113 18.360 1.00 32.03 N ATOM 937 CA ASN A 57 -8.195 8.000 18.923 1.00 20.43 C ATOM 938 C ASN A 57 -8.254 7.982 20.447 1.00 1.23 C ATOM 939 O ASN A 57 -9.122 8.606 21.055 1.00 1.02 O ATOM 940 CB ASN A 57 -8.388 9.428 18.406 1.00 15.31 C ATOM 941 CG ASN A 57 -7.114 10.007 17.825 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.570 10.982 18.342 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.630 9.406 16.744 1.00 70.12 N ATOM 0 H ASN A 57 -9.979 6.905 18.991 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.214 7.643 18.608 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.167 9.434 17.644 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.734 10.063 19.221 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.774 9.750 16.309 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -7.114 8.600 16.349 1.00 70.12 H new ATOM 950 N MET A 58 -7.329 7.249 21.053 1.00 5.10 N ATOM 951 CA MET A 58 -7.269 7.124 22.506 1.00 4.22 C ATOM 952 C MET A 58 -7.151 8.486 23.188 1.00 4.32 C ATOM 953 O MET A 58 -7.416 8.612 24.384 1.00 31.45 O ATOM 954 CB MET A 58 -6.091 6.237 22.920 1.00 30.22 C ATOM 955 CG MET A 58 -4.827 6.475 22.104 1.00 34.55 C ATOM 956 SD MET A 58 -4.252 4.997 21.244 1.00 24.45 S ATOM 957 CE MET A 58 -5.793 4.341 20.614 1.00 24.34 C ATOM 0 H MET A 58 -6.605 6.728 20.558 1.00 5.10 H new ATOM 0 HA MET A 58 -8.202 6.663 22.829 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.870 6.410 23.973 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.384 5.191 22.823 1.00 30.22 H new ATOM 0 HG2 MET A 58 -5.015 7.263 21.374 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.038 6.834 22.764 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.594 3.444 20.028 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.450 4.092 21.447 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.275 5.087 19.982 1.00 24.34 H new ATOM 967 N MET A 59 -6.750 9.503 22.431 1.00 1.01 N ATOM 968 CA MET A 59 -6.598 10.845 22.979 1.00 74.53 C ATOM 969 C MET A 59 -7.943 11.560 23.089 1.00 71.54 C ATOM 970 O MET A 59 -8.054 12.585 23.761 1.00 44.32 O ATOM 971 CB MET A 59 -5.641 11.663 22.112 1.00 2.02 C ATOM 972 CG MET A 59 -4.183 11.527 22.523 1.00 24.22 C ATOM 973 SD MET A 59 -3.448 13.096 23.024 1.00 11.43 S ATOM 974 CE MET A 59 -1.824 12.558 23.553 1.00 3.04 C ATOM 0 H MET A 59 -6.525 9.423 21.439 1.00 1.01 H new ATOM 0 HA MET A 59 -6.184 10.750 23.983 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.748 11.351 21.073 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.927 12.714 22.160 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.107 10.816 23.346 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.613 11.113 21.691 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.248 13.419 23.892 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.926 11.844 24.371 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.308 12.083 22.718 1.00 3.04 H new ATOM 984 N ASN A 60 -8.966 11.017 22.431 1.00 72.24 N ATOM 985 CA ASN A 60 -10.295 11.616 22.471 1.00 13.25 C ATOM 986 C ASN A 60 -11.291 10.689 23.161 1.00 2.34 C ATOM 987 O ASN A 60 -11.392 9.509 22.829 1.00 73.54 O ATOM 988 CB ASN A 60 -10.773 11.945 21.054 1.00 54.23 C ATOM 989 CG ASN A 60 -11.216 13.388 20.918 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.495 14.309 21.304 1.00 45.25 O ATOM 991 ND2 ASN A 60 -12.408 13.595 20.369 1.00 43.22 N ATOM 0 H ASN A 60 -8.899 10.169 21.868 1.00 72.24 H new ATOM 0 HA ASN A 60 -10.233 12.540 23.046 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.969 11.746 20.346 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.601 11.287 20.790 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.758 14.546 20.254 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.973 12.803 20.063 1.00 43.22 H new ATOM 998 N ALA A 61 -12.024 11.235 24.127 1.00 10.14 N ATOM 999 CA ALA A 61 -13.011 10.461 24.870 1.00 75.00 C ATOM 1000 C ALA A 61 -14.071 9.874 23.941 1.00 54.22 C ATOM 1001 O ALA A 61 -14.572 8.775 24.174 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.664 11.327 25.938 1.00 34.33 C ATOM 0 H ALA A 61 -11.952 12.211 24.413 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.494 9.632 25.353 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -14.399 10.737 26.486 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.902 11.689 26.628 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -14.159 12.176 25.466 1.00 34.33 H new ATOM 1008 N GLU A 62 -14.411 10.616 22.892 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.416 10.173 21.930 1.00 72.21 C ATOM 1010 C GLU A 62 -15.090 8.785 21.383 1.00 14.54 C ATOM 1011 O GLU A 62 -15.971 7.937 21.252 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.519 11.169 20.773 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.821 11.069 19.995 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.601 10.952 18.499 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -15.758 11.701 17.963 1.00 50.21 O ATOM 1016 OE2 GLU A 62 -17.274 10.113 17.864 1.00 1.12 O ATOM 0 H GLU A 62 -14.005 11.529 22.686 1.00 55.43 H new ATOM 0 HA GLU A 62 -16.372 10.121 22.452 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -15.418 12.181 21.166 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.685 11.007 20.090 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -17.383 10.203 20.344 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.431 11.949 20.201 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.820 8.563 21.069 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.381 7.279 20.540 1.00 60.41 C ATOM 1025 C HIS A 63 -13.071 6.299 21.664 1.00 12.50 C ATOM 1026 O HIS A 63 -13.272 5.092 21.525 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.149 7.462 19.659 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.440 8.123 18.348 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.467 8.397 17.412 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.605 8.557 17.812 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.015 8.971 16.358 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.313 9.080 16.575 1.00 33.54 N ATOM 0 H HIS A 63 -13.077 9.255 21.171 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.194 6.869 19.940 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.412 8.056 20.199 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.699 6.487 19.472 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.581 8.502 18.271 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.492 9.296 15.471 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.990 9.487 15.929 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.576 6.826 22.780 1.00 13.31 N ATOM 1041 CA ARG A 64 -12.234 6.000 23.933 1.00 25.03 C ATOM 1042 C ARG A 64 -13.409 5.114 24.330 1.00 71.40 C ATOM 1043 O ARG A 64 -13.270 3.898 24.458 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.823 6.881 25.116 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.627 6.347 25.887 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.340 6.508 25.094 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.618 5.245 24.956 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.815 4.742 25.891 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.627 5.389 27.034 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.196 3.588 25.680 1.00 33.54 N ATOM 0 H ARG A 64 -12.403 7.823 22.910 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.395 5.362 23.656 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.591 7.881 24.750 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.669 6.979 25.796 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.539 6.874 26.837 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.783 5.294 26.120 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.571 6.903 24.105 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.700 7.239 25.587 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.736 4.717 24.091 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.099 6.278 27.201 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.010 4.998 27.746 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -7.336 3.087 24.802 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.580 3.201 26.395 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.568 5.736 24.522 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.771 5.008 24.902 1.00 31.33 C ATOM 1066 C LYS A 65 -16.194 4.045 23.800 1.00 61.24 C ATOM 1067 O LYS A 65 -16.791 3.006 24.072 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.909 5.978 25.216 1.00 52.43 C ATOM 1069 CG LYS A 65 -17.223 6.940 24.084 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.333 7.904 24.467 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.733 8.788 23.297 1.00 42.14 C ATOM 1072 NZ LYS A 65 -20.100 8.468 22.804 1.00 60.30 N ATOM 0 H LYS A 65 -14.698 6.743 24.420 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.545 4.430 25.798 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.806 5.406 25.454 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.650 6.551 26.106 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.326 7.501 23.822 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -17.517 6.378 23.198 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -19.201 7.342 24.813 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.004 8.527 25.299 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.692 9.834 23.601 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -18.016 8.664 22.486 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -20.336 9.092 22.006 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.133 7.477 22.490 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -20.788 8.611 23.571 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.876 4.381 22.555 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.227 3.519 21.434 1.00 65.44 C ATOM 1088 C LEU A 66 -15.557 2.161 21.594 1.00 64.34 C ATOM 1089 O LEU A 66 -16.147 1.123 21.289 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.818 4.155 20.108 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.714 3.786 18.921 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.534 4.988 18.473 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.885 3.238 17.767 1.00 64.02 C ATOM 0 H LEU A 66 -15.381 5.235 22.298 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.309 3.386 21.427 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.819 5.239 20.224 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.794 3.860 19.879 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.402 3.005 19.244 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.163 4.705 17.629 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.162 5.327 19.297 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.864 5.794 18.172 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.542 2.983 16.936 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.168 3.992 17.444 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.351 2.346 18.094 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.326 2.176 22.093 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.582 0.947 22.318 1.00 22.20 C ATOM 1107 C LEU A 67 -14.287 0.100 23.366 1.00 1.33 C ATOM 1108 O LEU A 67 -14.495 -1.099 23.178 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.156 1.257 22.785 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.060 1.187 21.714 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.711 0.971 22.374 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.338 0.078 20.706 1.00 25.32 C ATOM 0 H LEU A 67 -13.824 3.026 22.349 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.532 0.398 21.378 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.148 2.257 23.218 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.899 0.561 23.584 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.051 2.133 21.173 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -8.936 0.922 21.610 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.501 1.799 23.051 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.726 0.037 22.936 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.543 0.056 19.961 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.379 -0.881 21.222 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.292 0.265 20.213 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.658 0.739 24.475 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.348 0.049 25.558 1.00 31.11 C ATOM 1126 C GLU A 68 -16.602 -0.649 25.034 1.00 33.44 C ATOM 1127 O GLU A 68 -17.068 -1.631 25.611 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.694 1.030 26.688 1.00 31.53 C ATOM 1129 CG GLU A 68 -17.016 1.761 26.506 1.00 52.31 C ATOM 1130 CD GLU A 68 -18.108 1.231 27.413 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -18.822 0.295 26.997 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -18.251 1.753 28.539 1.00 60.33 O ATOM 0 H GLU A 68 -14.492 1.731 24.644 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.682 -0.712 25.965 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -15.722 0.483 27.631 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -14.894 1.766 26.770 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.869 2.823 26.703 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -17.336 1.671 25.468 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.132 -0.134 23.930 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.321 -0.700 23.310 1.00 31.33 C ATOM 1141 C GLN A 69 -17.969 -1.976 22.550 1.00 54.04 C ATOM 1142 O GLN A 69 -18.632 -3.003 22.694 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.946 0.320 22.357 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.396 0.023 22.009 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.567 -0.492 20.594 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -20.919 0.260 19.685 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -20.320 -1.782 20.401 1.00 70.13 N ATOM 0 H GLN A 69 -16.753 0.679 23.445 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.039 -0.947 24.092 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.885 1.310 22.808 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.360 0.352 21.438 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.789 -0.714 22.709 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.988 0.930 22.135 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.030 -2.368 21.184 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -20.420 -2.187 19.470 1.00 70.13 H new ATOM 1156 N GLU A 70 -16.918 -1.899 21.738 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.467 -3.040 20.950 1.00 33.15 C ATOM 1158 C GLU A 70 -16.053 -4.197 21.854 1.00 4.01 C ATOM 1159 O GLU A 70 -16.473 -5.336 21.650 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.296 -2.634 20.055 1.00 60.04 C ATOM 1161 CG GLU A 70 -15.679 -1.642 18.970 1.00 12.23 C ATOM 1162 CD GLU A 70 -16.412 -2.298 17.817 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -17.618 -2.584 17.967 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -15.781 -2.526 16.764 1.00 22.20 O ATOM 0 H GLU A 70 -16.361 -1.054 21.609 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.297 -3.370 20.326 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.510 -2.199 20.673 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -14.878 -3.527 19.589 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.308 -0.863 19.400 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -14.780 -1.154 18.594 1.00 12.23 H new ATOM 1171 N MET A 71 -15.223 -3.899 22.852 1.00 72.11 N ATOM 1172 CA MET A 71 -14.754 -4.919 23.783 1.00 42.11 C ATOM 1173 C MET A 71 -15.922 -5.726 24.349 1.00 0.22 C ATOM 1174 O MET A 71 -15.804 -6.930 24.573 1.00 15.12 O ATOM 1175 CB MET A 71 -13.937 -4.274 24.910 1.00 44.14 C ATOM 1176 CG MET A 71 -14.761 -3.814 26.100 1.00 2.34 C ATOM 1177 SD MET A 71 -13.847 -2.689 27.171 1.00 23.31 S ATOM 1178 CE MET A 71 -12.409 -3.675 27.563 1.00 23.35 C ATOM 0 H MET A 71 -14.863 -2.962 23.035 1.00 72.11 H new ATOM 0 HA MET A 71 -14.109 -5.609 23.239 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.190 -4.989 25.256 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.396 -3.418 24.506 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.665 -3.319 25.744 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.079 -4.683 26.676 1.00 2.34 H new ATOM 0 HE1 MET A 71 -11.820 -3.171 28.329 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.726 -4.650 27.932 1.00 23.35 H new ATOM 0 HE3 MET A 71 -11.803 -3.806 26.667 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.053 -5.058 24.566 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.239 -5.726 25.092 1.00 11.44 C ATOM 1190 C VAL A 72 -18.778 -6.719 24.076 1.00 55.10 C ATOM 1191 O VAL A 72 -18.860 -7.914 24.344 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.351 -4.717 25.455 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.611 -5.426 25.943 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -18.851 -3.743 26.502 1.00 54.21 C ATOM 0 H VAL A 72 -17.172 -4.061 24.387 1.00 73.42 H new ATOM 0 HA VAL A 72 -17.940 -6.249 26.000 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.612 -4.165 24.552 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.372 -4.686 26.190 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -20.985 -6.084 25.159 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.377 -6.015 26.830 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -19.643 -3.037 26.750 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.559 -4.290 27.398 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -17.990 -3.200 26.112 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.133 -6.216 22.900 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.655 -7.064 21.834 1.00 33.53 C ATOM 1206 C ASN A 73 -18.723 -8.248 21.568 1.00 45.13 C ATOM 1207 O ASN A 73 -19.128 -9.245 20.970 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.847 -6.246 20.556 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.141 -6.586 19.842 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -22.026 -7.226 20.408 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -21.256 -6.158 18.590 1.00 43.31 N ATOM 0 H ASN A 73 -19.069 -5.227 22.660 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.620 -7.457 22.154 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.839 -5.184 20.803 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.007 -6.423 19.884 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -22.104 -6.357 18.059 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -20.497 -5.630 18.160 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.471 -8.131 22.011 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.489 -9.189 21.820 1.00 43.41 C ATOM 1220 C PHE A 74 -16.402 -10.105 23.041 1.00 53.44 C ATOM 1221 O PHE A 74 -16.461 -11.327 22.915 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.116 -8.584 21.529 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.086 -9.602 21.136 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.207 -10.302 19.948 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -12.998 -9.859 21.954 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -13.262 -11.241 19.582 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -12.049 -10.796 21.595 1.00 1.20 C ATOM 1228 CZ PHE A 74 -12.182 -11.489 20.407 1.00 14.42 C ATOM 0 H PHE A 74 -17.116 -7.312 22.505 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.812 -9.790 20.970 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.213 -7.849 20.730 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.768 -8.049 22.413 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.050 -10.112 19.300 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -12.891 -9.320 22.884 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -13.367 -11.780 18.652 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -11.205 -10.987 22.241 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.443 -12.224 20.124 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.236 -9.509 24.222 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.113 -10.283 25.455 1.00 13.42 C ATOM 1240 C LEU A 75 -17.397 -10.268 26.283 1.00 31.53 C ATOM 1241 O LEU A 75 -17.816 -11.296 26.812 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.961 -9.740 26.302 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.699 -9.375 25.519 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.165 -8.024 25.966 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.635 -10.455 25.680 1.00 74.13 C ATOM 0 H LEU A 75 -16.184 -8.498 24.350 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.915 -11.315 25.165 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.308 -8.855 26.836 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.701 -10.484 27.055 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.959 -9.308 24.463 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.267 -7.782 25.398 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.921 -7.259 25.793 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.923 -8.062 27.028 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.745 -10.176 25.115 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.378 -10.558 26.734 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.020 -11.404 25.306 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.000 -9.093 26.412 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.220 -8.940 27.201 1.00 61.03 C ATOM 1259 C PHE A 76 -20.469 -8.976 26.344 1.00 53.21 C ATOM 1260 O PHE A 76 -21.481 -8.363 26.681 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.194 -7.632 27.950 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.064 -7.536 28.916 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -16.823 -7.089 28.499 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -18.236 -7.904 30.238 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -15.775 -7.008 29.385 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -17.190 -7.828 31.127 1.00 73.25 C ATOM 1267 CZ PHE A 76 -15.960 -7.378 30.699 1.00 10.35 C ATOM 0 H PHE A 76 -17.666 -8.231 25.981 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.252 -9.781 27.894 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.124 -6.812 27.235 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.135 -7.508 28.486 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -16.676 -6.801 27.468 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -19.200 -8.254 30.575 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -14.810 -6.656 29.052 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -17.332 -8.120 32.157 1.00 73.25 H new ATOM 0 HZ PHE A 76 -15.138 -7.315 31.396 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.389 -9.677 25.238 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.510 -9.792 24.316 1.00 1.24 C ATOM 1279 C GLU A 77 -22.652 -10.578 24.954 1.00 64.35 C ATOM 1280 O GLU A 77 -23.071 -11.619 24.447 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.061 -10.469 23.020 1.00 71.23 C ATOM 1282 CG GLU A 77 -22.085 -10.388 21.899 1.00 55.43 C ATOM 1283 CD GLU A 77 -21.762 -11.322 20.749 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -20.589 -11.350 20.319 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -22.680 -12.026 20.279 1.00 30.04 O ATOM 0 H GLU A 77 -19.553 -10.184 24.947 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.870 -8.790 24.083 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -20.131 -10.010 22.684 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.843 -11.517 23.225 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -23.071 -10.631 22.294 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -22.133 -9.364 21.529 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.145 -10.066 26.075 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.230 -10.710 26.789 1.00 62.55 C ATOM 1294 C GLY A 78 -24.824 -9.803 27.849 1.00 72.21 C ATOM 1295 O GLY A 78 -26.040 -9.759 28.032 1.00 64.15 O ATOM 0 H GLY A 78 -22.807 -9.206 26.506 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.007 -11.001 26.083 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.865 -11.625 27.256 1.00 62.55 H new