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 Single : A 5 THR OG1 : rot 18:sc= 0.447 USER MOD Single : A 8 CYS SG : rot -150:sc= -3.22 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.32) USER MOD Single : A 18 GLN : amide:sc= -3.36 K(o=-3.4,f=-8.9!) USER MOD Single : A 21 GLN : amide:sc= -0.347 K(o=-0.35,f=-6.5!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 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= -0.339 K(o=-0.34,f=-3.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.8) USER MOD Single : A 45 HIS : no HD1:sc=-0.00877 X(o=-0.0088,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= -0.146 (180deg=-0.203) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= -0.72 (180deg=-0.72) USER MOD Single : A 52 ASN : amide:sc=0.000191 X(o=0.00019,f=-0.13) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.875 (180deg=-1.48) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0472 X(o=-0.047,f=-0.047) USER MOD Single : A 58 MET CE :methyl 171:sc= -10.4! (180deg=-10.6!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-9.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 71 MET CE :methyl -163:sc= -6.09! (180deg=-7.06!) USER MOD Single : A 73 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -9.294 -18.615 41.409 1.00 61.43 N ATOM 63 CA THR A 5 -9.598 -18.700 39.984 1.00 75.42 C ATOM 64 C THR A 5 -10.991 -18.158 39.686 1.00 53.15 C ATOM 65 O THR A 5 -11.983 -18.630 40.242 1.00 32.22 O ATOM 66 CB THR A 5 -9.491 -20.148 39.504 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.410 -20.809 40.136 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.293 -20.268 38.009 1.00 34.41 C ATOM 0 HA THR A 5 -8.870 -18.090 39.449 1.00 75.42 H new ATOM 0 HB THR A 5 -10.442 -20.610 39.767 1.00 2.14 H new ATOM 0 HG1 THR A 5 -8.146 -20.311 40.938 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.225 -21.321 37.734 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.138 -19.812 37.492 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.374 -19.758 37.722 1.00 34.41 H new ATOM 76 N ILE A 6 -11.060 -17.167 38.802 1.00 1.53 N ATOM 77 CA ILE A 6 -12.334 -16.565 38.430 1.00 33.41 C ATOM 78 C ILE A 6 -13.038 -17.391 37.360 1.00 11.10 C ATOM 79 O ILE A 6 -12.557 -18.450 36.959 1.00 72.21 O ATOM 80 CB ILE A 6 -12.150 -15.121 37.911 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.407 -15.111 36.570 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.403 -14.282 38.937 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.548 -13.811 35.811 1.00 23.21 C ATOM 0 H ILE A 6 -10.249 -16.765 38.331 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.946 -16.541 39.332 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.138 -14.687 37.755 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.349 -15.305 36.748 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.781 -15.926 35.951 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.281 -13.267 38.558 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.970 -14.256 39.868 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.423 -14.721 39.122 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -10.997 -13.876 34.873 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.601 -13.625 35.601 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.148 -12.994 36.411 1.00 23.21 H new ATOM 95 N PHE A 7 -14.172 -16.888 36.894 1.00 13.34 N ATOM 96 CA PHE A 7 -14.940 -17.562 35.858 1.00 50.22 C ATOM 97 C PHE A 7 -15.095 -16.647 34.651 1.00 42.14 C ATOM 98 O PHE A 7 -15.942 -15.755 34.641 1.00 72.41 O ATOM 99 CB PHE A 7 -16.315 -17.970 36.389 1.00 50.24 C ATOM 100 CG PHE A 7 -16.919 -19.138 35.663 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.302 -20.379 35.690 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.098 -18.994 34.954 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.855 -21.456 35.024 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.656 -20.067 34.284 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.033 -21.299 34.320 1.00 21.53 C ATOM 0 H PHE A 7 -14.582 -16.012 37.219 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.405 -18.463 35.557 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.228 -18.217 37.447 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.991 -17.118 36.315 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.380 -20.505 36.237 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.588 -18.032 34.923 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.367 -22.419 35.054 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.577 -19.942 33.734 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.467 -22.139 33.798 1.00 21.53 H new ATOM 115 N CYS A 8 -14.266 -16.865 33.636 1.00 31.32 N ATOM 116 CA CYS A 8 -14.313 -16.042 32.434 1.00 54.41 C ATOM 117 C CYS A 8 -15.691 -16.118 31.785 1.00 65.22 C ATOM 118 O CYS A 8 -16.328 -17.173 31.780 1.00 34.32 O ATOM 119 CB CYS A 8 -13.226 -16.462 31.434 1.00 24.25 C ATOM 120 SG CYS A 8 -12.918 -18.243 31.347 1.00 51.15 S ATOM 0 H CYS A 8 -13.558 -17.599 33.621 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.123 -15.009 32.727 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -13.509 -16.108 30.443 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -12.296 -15.960 31.699 1.00 24.25 H new ATOM 0 HG CYS A 8 -11.676 -18.453 31.025 1.00 51.15 H new ATOM 126 N THR A 9 -16.154 -14.994 31.244 1.00 52.25 N ATOM 127 CA THR A 9 -17.464 -14.940 30.604 1.00 12.21 C ATOM 128 C THR A 9 -17.343 -15.072 29.088 1.00 43.22 C ATOM 129 O THR A 9 -18.285 -15.497 28.419 1.00 73.23 O ATOM 130 CB THR A 9 -18.178 -13.636 30.961 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.484 -13.611 30.411 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.450 -12.405 30.472 1.00 1.45 C ATOM 0 H THR A 9 -15.643 -14.111 31.236 1.00 52.25 H new ATOM 0 HA THR A 9 -18.052 -15.780 30.974 1.00 12.21 H new ATOM 0 HB THR A 9 -18.209 -13.612 32.050 1.00 25.02 H new ATOM 0 HG1 THR A 9 -19.924 -12.769 30.652 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.009 -11.514 30.758 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.456 -12.369 30.918 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.359 -12.443 29.386 1.00 1.45 H new ATOM 140 N PHE A 10 -16.179 -14.719 28.551 1.00 65.32 N ATOM 141 CA PHE A 10 -15.948 -14.814 27.115 1.00 62.40 C ATOM 142 C PHE A 10 -15.757 -16.274 26.720 1.00 73.04 C ATOM 143 O PHE A 10 -16.285 -16.731 25.706 1.00 1.33 O ATOM 144 CB PHE A 10 -14.721 -13.991 26.713 1.00 25.33 C ATOM 145 CG PHE A 10 -14.353 -14.127 25.261 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.120 -13.521 24.279 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.242 -14.862 24.881 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.784 -13.646 22.944 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.903 -14.991 23.548 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.675 -14.382 22.577 1.00 24.22 C ATOM 0 H PHE A 10 -15.385 -14.366 29.086 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.816 -14.413 26.591 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.910 -12.941 26.934 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.872 -14.298 27.324 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.989 -12.945 24.560 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.634 -15.339 25.635 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.389 -13.168 22.188 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -12.035 -15.568 23.265 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.412 -14.481 21.534 1.00 24.22 H new ATOM 160 N LEU A 11 -15.010 -17.003 27.542 1.00 73.11 N ATOM 161 CA LEU A 11 -14.758 -18.416 27.296 1.00 31.00 C ATOM 162 C LEU A 11 -15.752 -19.284 28.056 1.00 73.10 C ATOM 163 O LEU A 11 -15.837 -20.490 27.827 1.00 62.15 O ATOM 164 CB LEU A 11 -13.328 -18.785 27.697 1.00 1.01 C ATOM 165 CG LEU A 11 -12.256 -17.773 27.285 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.357 -17.437 28.465 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.432 -18.309 26.122 1.00 2.01 C ATOM 0 H LEU A 11 -14.568 -16.637 28.385 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.883 -18.599 26.229 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.291 -18.909 28.779 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.082 -19.751 27.257 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.754 -16.859 26.961 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.601 -16.716 28.153 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.956 -17.009 29.269 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.868 -18.344 28.820 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.675 -17.575 25.844 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -10.945 -19.238 26.419 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.085 -18.498 25.270 1.00 2.01 H new ATOM 179 N GLN A 12 -16.500 -18.668 28.969 1.00 23.53 N ATOM 180 CA GLN A 12 -17.479 -19.392 29.766 1.00 23.44 C ATOM 181 C GLN A 12 -16.808 -20.543 30.505 1.00 25.43 C ATOM 182 O GLN A 12 -17.327 -21.659 30.545 1.00 51.41 O ATOM 183 CB GLN A 12 -18.612 -19.914 28.878 1.00 53.11 C ATOM 184 CG GLN A 12 -19.715 -18.894 28.641 1.00 64.42 C ATOM 185 CD GLN A 12 -20.356 -18.420 29.931 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.913 -19.215 30.688 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.280 -17.120 30.187 1.00 71.40 N ATOM 0 H GLN A 12 -16.445 -17.670 29.173 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.905 -18.708 30.500 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.198 -20.220 27.917 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.043 -20.803 29.338 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.304 -18.037 28.107 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.479 -19.333 27.999 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.808 -16.498 29.531 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.693 -16.743 31.040 1.00 71.40 H new ATOM 196 N ARG A 13 -15.648 -20.256 31.090 1.00 31.42 N ATOM 197 CA ARG A 13 -14.890 -21.258 31.838 1.00 30.23 C ATOM 198 C ARG A 13 -14.243 -20.635 33.074 1.00 63.10 C ATOM 199 O ARG A 13 -14.547 -19.499 33.439 1.00 64.23 O ATOM 200 CB ARG A 13 -13.808 -21.883 30.954 1.00 73.20 C ATOM 201 CG ARG A 13 -14.095 -21.770 29.470 1.00 72.11 C ATOM 202 CD ARG A 13 -13.162 -22.645 28.654 1.00 24.42 C ATOM 203 NE ARG A 13 -13.615 -24.036 28.602 1.00 51.31 N ATOM 204 CZ ARG A 13 -13.047 -25.035 29.278 1.00 21.21 C ATOM 205 NH1 ARG A 13 -12.009 -24.809 30.075 1.00 22.03 N ATOM 206 NH2 ARG A 13 -13.522 -26.267 29.158 1.00 63.21 N ATOM 0 H ARG A 13 -15.210 -19.335 31.061 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.585 -22.035 32.156 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.853 -21.402 31.168 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.701 -22.936 31.215 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.128 -22.058 29.275 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -13.989 -20.732 29.156 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -13.089 -22.250 27.641 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -12.161 -22.606 29.084 1.00 24.42 H new ATOM 0 HE ARG A 13 -14.417 -24.255 28.011 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -11.639 -23.864 30.175 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -11.582 -25.581 30.588 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -14.320 -26.449 28.550 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -13.089 -27.033 29.674 1.00 63.21 H new ATOM 220 N GLU A 14 -13.347 -21.385 33.710 1.00 1.13 N ATOM 221 CA GLU A 14 -12.652 -20.905 34.901 1.00 34.13 C ATOM 222 C GLU A 14 -11.201 -20.555 34.580 1.00 14.15 C ATOM 223 O GLU A 14 -10.414 -21.422 34.200 1.00 14.24 O ATOM 224 CB GLU A 14 -12.698 -21.960 36.010 1.00 13.12 C ATOM 225 CG GLU A 14 -12.681 -21.370 37.411 1.00 33.02 C ATOM 226 CD GLU A 14 -12.987 -22.400 38.481 1.00 62.23 C ATOM 227 OE1 GLU A 14 -12.168 -23.325 38.667 1.00 65.42 O ATOM 228 OE2 GLU A 14 -14.048 -22.282 39.132 1.00 33.53 O ATOM 0 H GLU A 14 -13.085 -22.327 33.421 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.160 -20.004 35.246 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.598 -22.563 35.889 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.847 -22.631 35.897 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -11.702 -20.930 37.604 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.411 -20.562 37.470 1.00 33.02 H new ATOM 235 N ALA A 15 -10.852 -19.280 34.733 1.00 12.03 N ATOM 236 CA ALA A 15 -9.495 -18.822 34.456 1.00 21.22 C ATOM 237 C ALA A 15 -8.863 -18.194 35.693 1.00 54.41 C ATOM 238 O ALA A 15 -9.560 -17.805 36.631 1.00 2.04 O ATOM 239 CB ALA A 15 -9.500 -17.832 33.298 1.00 50.14 C ATOM 0 H ALA A 15 -11.489 -18.548 35.047 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.894 -19.688 34.177 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.481 -17.497 33.101 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.902 -18.316 32.408 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.120 -16.974 33.556 1.00 50.14 H new ATOM 245 N GLU A 16 -7.537 -18.097 35.690 1.00 3.04 N ATOM 246 CA GLU A 16 -6.811 -17.516 36.816 1.00 72.43 C ATOM 247 C GLU A 16 -7.156 -16.041 36.995 1.00 31.24 C ATOM 248 O GLU A 16 -6.893 -15.457 38.046 1.00 54.24 O ATOM 249 CB GLU A 16 -5.302 -17.679 36.615 1.00 40.45 C ATOM 250 CG GLU A 16 -4.771 -16.950 35.392 1.00 2.55 C ATOM 251 CD GLU A 16 -3.278 -16.692 35.467 1.00 45.03 C ATOM 252 OE1 GLU A 16 -2.867 -15.801 36.239 1.00 44.31 O ATOM 253 OE2 GLU A 16 -2.520 -17.381 34.753 1.00 45.02 O ATOM 0 H GLU A 16 -6.944 -18.412 34.922 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.113 -18.048 37.718 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.784 -17.311 37.501 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.068 -18.740 36.526 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -4.990 -17.538 34.500 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.295 -16.000 35.284 1.00 2.55 H new ATOM 260 N GLY A 17 -7.746 -15.443 35.966 1.00 52.13 N ATOM 261 CA GLY A 17 -8.116 -14.043 36.037 1.00 51.12 C ATOM 262 C GLY A 17 -6.912 -13.125 36.104 1.00 22.35 C ATOM 263 O GLY A 17 -5.772 -13.588 36.153 1.00 53.22 O ATOM 0 H GLY A 17 -7.974 -15.903 35.085 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.717 -13.785 35.165 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.742 -13.880 36.915 1.00 51.12 H new ATOM 267 N GLN A 18 -7.164 -11.821 36.104 1.00 21.14 N ATOM 268 CA GLN A 18 -6.091 -10.833 36.165 1.00 54.11 C ATOM 269 C GLN A 18 -5.777 -10.460 37.610 1.00 43.52 C ATOM 270 O GLN A 18 -6.511 -10.821 38.530 1.00 15.54 O ATOM 271 CB GLN A 18 -6.477 -9.582 35.374 1.00 11.52 C ATOM 272 CG GLN A 18 -6.936 -9.878 33.956 1.00 53.05 C ATOM 273 CD GLN A 18 -8.443 -9.820 33.808 1.00 62.42 C ATOM 274 OE1 GLN A 18 -9.181 -10.364 34.629 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.910 -9.156 32.756 1.00 14.32 N ATOM 0 H GLN A 18 -8.102 -11.422 36.062 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.198 -11.274 35.721 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.273 -9.059 35.903 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.622 -8.907 35.337 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.480 -9.161 33.273 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.583 -10.867 33.663 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.262 -8.720 32.100 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.916 -9.083 32.605 1.00 14.32 H new ATOM 284 N ASP A 19 -4.680 -9.736 37.801 1.00 30.30 N ATOM 285 CA ASP A 19 -4.265 -9.317 39.135 1.00 31.15 C ATOM 286 C ASP A 19 -4.610 -7.851 39.382 1.00 54.34 C ATOM 287 O ASP A 19 -4.887 -7.451 40.512 1.00 62.12 O ATOM 288 CB ASP A 19 -2.763 -9.537 39.311 1.00 61.25 C ATOM 289 CG ASP A 19 -2.411 -11.002 39.483 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.161 -11.716 40.181 1.00 63.02 O ATOM 291 OD2 ASP A 19 -1.385 -11.436 38.917 1.00 32.45 O ATOM 0 H ASP A 19 -4.063 -9.427 37.050 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.805 -9.922 39.864 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.236 -9.139 38.444 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.416 -8.978 40.180 1.00 61.25 H new ATOM 296 N PHE A 20 -4.588 -7.055 38.318 1.00 75.50 N ATOM 297 CA PHE A 20 -4.896 -5.634 38.420 1.00 61.11 C ATOM 298 C PHE A 20 -5.837 -5.199 37.304 1.00 11.10 C ATOM 299 O PHE A 20 -5.756 -5.700 36.184 1.00 10.14 O ATOM 300 CB PHE A 20 -3.609 -4.812 38.359 1.00 42.10 C ATOM 301 CG PHE A 20 -2.694 -5.220 37.240 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.974 -4.861 35.932 1.00 53.11 C ATOM 303 CD2 PHE A 20 -1.555 -5.967 37.498 1.00 62.20 C ATOM 304 CE1 PHE A 20 -2.136 -5.238 34.900 1.00 13.12 C ATOM 305 CE2 PHE A 20 -0.712 -6.346 36.470 1.00 64.11 C ATOM 306 CZ PHE A 20 -1.004 -5.982 35.170 1.00 51.01 C ATOM 0 H PHE A 20 -4.360 -7.370 37.375 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.390 -5.462 39.376 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.864 -3.759 38.244 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.079 -4.910 39.306 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.858 -4.279 35.716 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -1.324 -6.256 38.513 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -2.366 -4.952 33.884 1.00 13.12 H new ATOM 0 HE2 PHE A 20 0.174 -6.926 36.683 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.348 -6.279 34.365 1.00 51.01 H new ATOM 316 N GLN A 21 -6.731 -4.268 37.615 1.00 15.34 N ATOM 317 CA GLN A 21 -7.687 -3.769 36.632 1.00 22.42 C ATOM 318 C GLN A 21 -6.966 -3.109 35.459 1.00 75.54 C ATOM 319 O GLN A 21 -6.044 -2.315 35.652 1.00 3.30 O ATOM 320 CB GLN A 21 -8.649 -2.777 37.287 1.00 41.11 C ATOM 321 CG GLN A 21 -9.833 -2.414 36.409 1.00 63.45 C ATOM 322 CD GLN A 21 -10.916 -1.668 37.166 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.574 -2.229 38.044 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.109 -0.399 36.829 1.00 51.02 N ATOM 0 H GLN A 21 -6.815 -3.843 38.539 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.258 -4.615 36.250 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.016 -3.202 38.221 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.104 -1.868 37.542 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.488 -1.800 35.577 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.255 -3.323 35.981 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -10.541 0.026 36.096 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -11.825 0.151 37.303 1.00 51.02 H new ATOM 333 N LEU A 22 -7.385 -3.451 34.242 1.00 10.45 N ATOM 334 CA LEU A 22 -6.773 -2.899 33.037 1.00 4.02 C ATOM 335 C LEU A 22 -7.554 -1.693 32.517 1.00 35.51 C ATOM 336 O LEU A 22 -6.966 -0.692 32.106 1.00 71.53 O ATOM 337 CB LEU A 22 -6.691 -3.971 31.949 1.00 12.14 C ATOM 338 CG LEU A 22 -6.221 -5.348 32.429 1.00 25.31 C ATOM 339 CD1 LEU A 22 -6.087 -6.306 31.255 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.902 -5.228 33.176 1.00 4.03 C ATOM 0 H LEU A 22 -8.145 -4.107 34.065 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.768 -2.567 33.296 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.675 -4.079 31.492 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -6.013 -3.624 31.169 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.969 -5.749 33.113 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.752 -7.279 31.615 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -7.053 -6.415 30.762 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.360 -5.912 30.545 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.582 -6.215 33.510 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -4.146 -4.806 32.514 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -5.031 -4.577 34.040 1.00 4.03 H new ATOM 352 N TYR A 23 -8.878 -1.795 32.542 1.00 34.05 N ATOM 353 CA TYR A 23 -9.741 -0.712 32.077 1.00 23.50 C ATOM 354 C TYR A 23 -10.176 0.164 33.251 1.00 25.40 C ATOM 355 O TYR A 23 -9.964 -0.188 34.408 1.00 43.13 O ATOM 356 CB TYR A 23 -10.967 -1.286 31.370 1.00 63.45 C ATOM 357 CG TYR A 23 -11.112 -0.844 29.937 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.049 -0.916 29.047 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.320 -0.349 29.480 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.193 -0.505 27.735 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.473 0.065 28.176 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.407 -0.014 27.304 1.00 12.35 C ATOM 363 OH TYR A 23 -11.554 0.401 25.999 1.00 2.05 O ATOM 0 H TYR A 23 -9.379 -2.617 32.879 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.180 -0.098 31.373 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.914 -2.374 31.400 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.861 -0.995 31.921 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.097 -1.298 29.384 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.158 -0.286 30.158 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.359 -0.568 27.051 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.423 0.450 27.837 1.00 71.50 H new ATOM 0 HH TYR A 23 -12.470 0.718 25.858 1.00 2.05 H new ATOM 373 N PRO A 24 -10.787 1.325 32.972 1.00 32.24 N ATOM 374 CA PRO A 24 -11.242 2.251 34.004 1.00 11.05 C ATOM 375 C PRO A 24 -12.707 2.051 34.376 1.00 1.33 C ATOM 376 O PRO A 24 -13.336 1.070 33.979 1.00 21.12 O ATOM 377 CB PRO A 24 -11.076 3.581 33.290 1.00 65.33 C ATOM 378 CG PRO A 24 -11.533 3.271 31.905 1.00 43.20 C ATOM 379 CD PRO A 24 -11.078 1.856 31.627 1.00 63.42 C ATOM 0 HA PRO A 24 -10.699 2.140 34.943 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.679 4.365 33.749 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.041 3.923 33.308 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.617 3.356 31.823 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.103 3.968 31.186 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.852 1.276 31.124 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.196 1.835 30.986 1.00 63.42 H new ATOM 387 N GLY A 25 -13.243 3.014 35.120 1.00 62.31 N ATOM 388 CA GLY A 25 -14.636 2.982 35.529 1.00 55.53 C ATOM 389 C GLY A 25 -15.144 1.610 35.924 1.00 61.45 C ATOM 390 O GLY A 25 -14.419 0.806 36.508 1.00 31.03 O ATOM 0 H GLY A 25 -12.727 3.829 35.452 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.770 3.661 36.371 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.250 3.362 34.712 1.00 55.53 H new ATOM 394 N GLU A 26 -16.410 1.365 35.609 1.00 34.32 N ATOM 395 CA GLU A 26 -17.063 0.103 35.935 1.00 25.33 C ATOM 396 C GLU A 26 -16.721 -0.978 34.919 1.00 14.12 C ATOM 397 O GLU A 26 -16.606 -2.153 35.268 1.00 61.02 O ATOM 398 CB GLU A 26 -18.579 0.299 35.998 1.00 60.13 C ATOM 399 CG GLU A 26 -19.289 -0.709 36.886 1.00 32.34 C ATOM 400 CD GLU A 26 -19.981 -1.801 36.094 1.00 53.51 C ATOM 401 OE1 GLU A 26 -20.350 -1.545 34.927 1.00 61.30 O ATOM 402 OE2 GLU A 26 -20.158 -2.910 36.639 1.00 44.40 O ATOM 0 H GLU A 26 -17.010 2.031 35.123 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.698 -0.222 36.909 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.792 1.304 36.362 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.987 0.233 34.990 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -18.566 -1.161 37.565 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -20.024 -0.191 37.501 1.00 32.34 H new ATOM 409 N LEU A 27 -16.563 -0.585 33.660 1.00 43.20 N ATOM 410 CA LEU A 27 -16.238 -1.542 32.612 1.00 70.03 C ATOM 411 C LEU A 27 -14.937 -2.264 32.938 1.00 3.24 C ATOM 412 O LEU A 27 -14.859 -3.488 32.857 1.00 43.43 O ATOM 413 CB LEU A 27 -16.149 -0.849 31.253 1.00 42.54 C ATOM 414 CG LEU A 27 -16.968 -1.520 30.151 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.990 -0.661 28.898 1.00 14.22 C ATOM 416 CD2 LEU A 27 -16.409 -2.901 29.849 1.00 51.13 C ATOM 0 H LEU A 27 -16.654 0.380 33.343 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.038 -2.281 32.560 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.484 0.183 31.362 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -15.104 -0.814 30.943 1.00 42.54 H new ATOM 0 HG LEU A 27 -17.995 -1.631 30.500 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -17.578 -1.158 28.127 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -17.436 0.307 29.128 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -15.971 -0.515 28.539 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -17.001 -3.369 29.062 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -15.374 -2.810 29.519 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -16.451 -3.515 30.749 1.00 51.13 H new ATOM 428 N GLY A 28 -13.919 -1.512 33.330 1.00 3.43 N ATOM 429 CA GLY A 28 -12.657 -2.128 33.683 1.00 70.33 C ATOM 430 C GLY A 28 -12.812 -3.109 34.826 1.00 53.45 C ATOM 431 O GLY A 28 -12.064 -4.081 34.925 1.00 64.53 O ATOM 0 H GLY A 28 -13.943 -0.495 33.410 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.248 -2.644 32.814 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.940 -1.355 33.961 1.00 70.33 H new ATOM 435 N LYS A 29 -13.797 -2.860 35.684 1.00 41.30 N ATOM 436 CA LYS A 29 -14.056 -3.739 36.818 1.00 11.31 C ATOM 437 C LYS A 29 -14.629 -5.076 36.348 1.00 74.12 C ATOM 438 O LYS A 29 -14.280 -6.130 36.879 1.00 50.10 O ATOM 439 CB LYS A 29 -15.017 -3.072 37.804 1.00 13.40 C ATOM 440 CG LYS A 29 -14.340 -2.078 38.733 1.00 74.43 C ATOM 441 CD LYS A 29 -15.307 -1.543 39.780 1.00 54.40 C ATOM 442 CE LYS A 29 -15.456 -0.031 39.685 1.00 33.14 C ATOM 443 NZ LYS A 29 -15.432 0.616 41.026 1.00 73.52 N ATOM 0 H LYS A 29 -14.426 -2.060 35.616 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.109 -3.927 37.324 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.800 -2.560 37.245 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.504 -3.842 38.402 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -13.496 -2.558 39.228 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.939 -1.249 38.150 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -16.281 -2.014 39.650 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -14.952 -1.812 40.775 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -14.651 0.375 39.072 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -16.393 0.210 39.182 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -15.536 1.645 40.917 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -16.215 0.248 41.603 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -14.528 0.408 41.496 1.00 73.52 H new ATOM 457 N ARG A 30 -15.514 -5.027 35.352 1.00 14.42 N ATOM 458 CA ARG A 30 -16.131 -6.244 34.823 1.00 74.43 C ATOM 459 C ARG A 30 -15.131 -7.058 33.999 1.00 51.04 C ATOM 460 O ARG A 30 -15.131 -8.284 34.067 1.00 65.32 O ATOM 461 CB ARG A 30 -17.385 -5.920 33.996 1.00 42.34 C ATOM 462 CG ARG A 30 -17.145 -4.925 32.876 1.00 12.00 C ATOM 463 CD ARG A 30 -18.441 -4.311 32.365 1.00 64.35 C ATOM 464 NE ARG A 30 -19.511 -5.297 32.229 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.455 -5.504 33.144 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.447 -4.829 34.287 1.00 71.24 N ATOM 467 NH2 ARG A 30 -21.408 -6.396 32.917 1.00 70.40 N ATOM 0 H ARG A 30 -15.818 -4.166 34.898 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.439 -6.851 35.674 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.775 -6.844 33.570 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.154 -5.525 34.660 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.485 -4.133 33.231 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.632 -5.423 32.053 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.761 -3.524 33.048 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -18.260 -3.840 31.399 1.00 64.35 H new ATOM 0 HE ARG A 30 -19.536 -5.862 31.380 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -19.713 -4.145 34.470 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.175 -4.995 34.982 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -21.417 -6.922 32.043 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -22.133 -6.557 33.616 1.00 70.40 H new ATOM 481 N ILE A 31 -14.274 -6.387 33.230 1.00 42.52 N ATOM 482 CA ILE A 31 -13.269 -7.091 32.423 1.00 44.44 C ATOM 483 C ILE A 31 -12.301 -7.821 33.328 1.00 73.55 C ATOM 484 O ILE A 31 -12.075 -9.023 33.191 1.00 62.43 O ATOM 485 CB ILE A 31 -12.471 -6.130 31.518 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.410 -5.320 30.628 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.469 -6.901 30.669 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.026 -3.865 30.534 1.00 24.11 C ATOM 0 H ILE A 31 -14.252 -5.371 33.147 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.806 -7.794 31.786 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.923 -5.438 32.158 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.417 -5.753 29.628 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.426 -5.397 31.016 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -10.916 -6.206 30.038 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.774 -7.432 31.319 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -11.999 -7.618 30.042 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.732 -3.343 29.887 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -13.046 -3.418 31.528 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.022 -3.780 30.118 1.00 24.11 H new ATOM 500 N TYR A 32 -11.745 -7.078 34.264 1.00 64.50 N ATOM 501 CA TYR A 32 -10.810 -7.631 35.219 1.00 23.32 C ATOM 502 C TYR A 32 -11.489 -8.713 36.063 1.00 71.21 C ATOM 503 O TYR A 32 -10.817 -9.520 36.706 1.00 4.24 O ATOM 504 CB TYR A 32 -10.247 -6.508 36.099 1.00 61.31 C ATOM 505 CG TYR A 32 -9.944 -6.919 37.520 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.946 -6.940 38.480 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.661 -7.287 37.896 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.675 -7.319 39.781 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.381 -7.667 39.192 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.390 -7.681 40.132 1.00 75.01 C ATOM 511 OH TYR A 32 -9.114 -8.057 41.427 1.00 23.44 O ATOM 0 H TYR A 32 -11.928 -6.082 34.383 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.982 -8.098 34.686 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.334 -6.128 35.641 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.961 -5.685 36.117 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.952 -6.656 38.207 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.868 -7.276 37.162 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.464 -7.332 40.519 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.377 -7.952 39.469 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.164 -8.282 41.507 1.00 23.44 H new ATOM 521 N ASN A 33 -12.825 -8.715 36.075 1.00 73.34 N ATOM 522 CA ASN A 33 -13.574 -9.694 36.865 1.00 54.32 C ATOM 523 C ASN A 33 -14.097 -10.865 36.026 1.00 71.34 C ATOM 524 O ASN A 33 -13.882 -12.027 36.374 1.00 44.01 O ATOM 525 CB ASN A 33 -14.748 -9.014 37.572 1.00 0.31 C ATOM 526 CG ASN A 33 -14.366 -8.462 38.932 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.303 -8.778 39.467 1.00 33.41 O ATOM 528 ND2 ASN A 33 -15.235 -7.633 39.499 1.00 61.25 N ATOM 0 H ASN A 33 -13.404 -8.057 35.553 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.876 -10.102 37.596 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.124 -8.204 36.947 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.561 -9.730 37.689 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -15.033 -7.231 40.414 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -16.104 -7.399 39.019 1.00 61.25 H new ATOM 535 N GLU A 34 -14.816 -10.560 34.949 1.00 11.44 N ATOM 536 CA GLU A 34 -15.405 -11.597 34.099 1.00 12.01 C ATOM 537 C GLU A 34 -14.520 -11.957 32.908 1.00 33.04 C ATOM 538 O GLU A 34 -14.672 -13.031 32.326 1.00 14.34 O ATOM 539 CB GLU A 34 -16.779 -11.152 33.593 1.00 14.34 C ATOM 540 CG GLU A 34 -17.619 -10.442 34.642 1.00 71.44 C ATOM 541 CD GLU A 34 -18.925 -9.912 34.083 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.927 -8.782 33.550 1.00 60.04 O ATOM 543 OE2 GLU A 34 -19.945 -10.625 34.179 1.00 51.51 O ATOM 0 H GLU A 34 -15.006 -9.606 34.643 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.503 -12.488 34.718 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.644 -10.488 32.739 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.324 -12.025 33.235 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.831 -11.131 35.459 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.046 -9.615 35.062 1.00 71.44 H new ATOM 550 N ILE A 35 -13.598 -11.077 32.540 1.00 41.23 N ATOM 551 CA ILE A 35 -12.710 -11.347 31.416 1.00 15.01 C ATOM 552 C ILE A 35 -11.315 -11.727 31.908 1.00 22.10 C ATOM 553 O ILE A 35 -10.702 -11.004 32.691 1.00 72.42 O ATOM 554 CB ILE A 35 -12.617 -10.141 30.455 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.012 -9.748 29.955 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.707 -10.466 29.276 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.832 -10.921 29.468 1.00 44.35 C ATOM 0 H ILE A 35 -13.446 -10.178 32.998 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.136 -12.185 30.865 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.191 -9.299 31.000 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.550 -9.248 30.760 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -13.909 -9.026 29.145 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.653 -9.605 28.610 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.708 -10.704 29.642 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.108 -11.321 28.732 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.806 -10.568 29.130 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.315 -11.408 28.641 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.967 -11.634 30.282 1.00 44.35 H new ATOM 569 N SER A 36 -10.826 -12.872 31.441 1.00 32.24 N ATOM 570 CA SER A 36 -9.507 -13.358 31.832 1.00 70.31 C ATOM 571 C SER A 36 -8.439 -12.879 30.853 1.00 1.11 C ATOM 572 O SER A 36 -8.744 -12.224 29.857 1.00 2.44 O ATOM 573 CB SER A 36 -9.504 -14.886 31.899 1.00 53.15 C ATOM 574 OG SER A 36 -9.458 -15.456 30.602 1.00 41.34 O ATOM 0 H SER A 36 -11.324 -13.481 30.791 1.00 32.24 H new ATOM 0 HA SER A 36 -9.277 -12.957 32.819 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.646 -15.225 32.479 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.397 -15.232 32.419 1.00 53.15 H new ATOM 0 HG SER A 36 -9.455 -16.433 30.674 1.00 41.34 H new ATOM 580 N LYS A 37 -7.185 -13.210 31.144 1.00 42.00 N ATOM 581 CA LYS A 37 -6.073 -12.813 30.289 1.00 52.25 C ATOM 582 C LYS A 37 -6.218 -13.412 28.895 1.00 52.31 C ATOM 583 O LYS A 37 -5.867 -12.783 27.897 1.00 14.05 O ATOM 584 CB LYS A 37 -4.744 -13.251 30.909 1.00 71.22 C ATOM 585 CG LYS A 37 -4.366 -12.471 32.157 1.00 2.54 C ATOM 586 CD LYS A 37 -2.860 -12.310 32.279 1.00 32.52 C ATOM 587 CE LYS A 37 -2.473 -11.663 33.599 1.00 55.32 C ATOM 588 NZ LYS A 37 -2.355 -12.662 34.696 1.00 43.10 N ATOM 0 H LYS A 37 -6.914 -13.752 31.965 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.085 -11.727 30.201 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.801 -14.311 31.157 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.953 -13.139 30.168 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.837 -11.488 32.130 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -4.751 -12.984 33.038 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.381 -13.286 32.197 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.490 -11.703 31.453 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -1.524 -11.140 33.482 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.219 -10.915 33.868 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -2.090 -12.179 35.578 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -3.267 -13.144 34.826 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.625 -13.362 34.451 1.00 43.10 H new ATOM 602 N GLU A 38 -6.737 -14.635 28.834 1.00 41.40 N ATOM 603 CA GLU A 38 -6.928 -15.326 27.562 1.00 54.20 C ATOM 604 C GLU A 38 -7.885 -14.554 26.659 1.00 31.43 C ATOM 605 O GLU A 38 -7.625 -14.380 25.469 1.00 60.21 O ATOM 606 CB GLU A 38 -7.458 -16.740 27.798 1.00 41.40 C ATOM 607 CG GLU A 38 -6.768 -17.795 26.951 1.00 62.41 C ATOM 608 CD GLU A 38 -5.922 -18.745 27.777 1.00 30.14 C ATOM 609 OE1 GLU A 38 -5.430 -18.327 28.846 1.00 54.15 O ATOM 610 OE2 GLU A 38 -5.750 -19.908 27.353 1.00 72.33 O ATOM 0 H GLU A 38 -7.033 -15.169 29.651 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.960 -15.388 27.064 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.336 -16.994 28.851 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.527 -16.759 27.587 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.519 -18.365 26.404 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -6.138 -17.305 26.209 1.00 62.41 H new ATOM 617 N ALA A 39 -8.992 -14.093 27.233 1.00 51.41 N ATOM 618 CA ALA A 39 -9.986 -13.340 26.480 1.00 63.44 C ATOM 619 C ALA A 39 -9.467 -11.951 26.127 1.00 13.12 C ATOM 620 O ALA A 39 -9.517 -11.533 24.970 1.00 44.04 O ATOM 621 CB ALA A 39 -11.281 -13.238 27.270 1.00 12.31 C ATOM 0 H ALA A 39 -9.222 -14.228 28.217 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.184 -13.873 25.550 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.014 -12.673 26.695 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.667 -14.238 27.467 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.091 -12.730 28.215 1.00 12.31 H new ATOM 627 N TRP A 40 -8.963 -11.240 27.132 1.00 21.45 N ATOM 628 CA TRP A 40 -8.429 -9.899 26.928 1.00 64.40 C ATOM 629 C TRP A 40 -7.390 -9.900 25.812 1.00 11.24 C ATOM 630 O TRP A 40 -7.391 -9.022 24.949 1.00 3.30 O ATOM 631 CB TRP A 40 -7.803 -9.375 28.221 1.00 22.34 C ATOM 632 CG TRP A 40 -7.483 -7.911 28.184 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.250 -7.338 28.305 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.412 -6.833 28.022 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.355 -5.969 28.228 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.673 -5.635 28.056 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.797 -6.767 27.851 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.276 -4.385 27.929 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.392 -5.528 27.722 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.633 -4.351 27.762 1.00 72.40 C ATOM 0 H TRP A 40 -8.914 -11.571 28.095 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.251 -9.243 26.640 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.485 -9.568 29.049 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.889 -9.933 28.424 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.326 -7.881 28.441 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.579 -5.310 28.289 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.391 -7.668 27.820 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.693 -3.476 27.961 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.462 -5.465 27.588 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.130 -3.398 27.659 1.00 72.40 H new ATOM 651 N ALA A 41 -6.514 -10.898 25.832 1.00 22.20 N ATOM 652 CA ALA A 41 -5.473 -11.022 24.820 1.00 53.14 C ATOM 653 C ALA A 41 -6.080 -11.071 23.424 1.00 42.33 C ATOM 654 O ALA A 41 -5.460 -10.642 22.450 1.00 53.05 O ATOM 655 CB ALA A 41 -4.633 -12.263 25.078 1.00 23.01 C ATOM 0 H ALA A 41 -6.504 -11.633 26.539 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.829 -10.145 24.880 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.859 -12.344 24.315 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.167 -12.189 26.061 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.270 -13.147 25.044 1.00 23.01 H new ATOM 661 N GLN A 42 -7.301 -11.586 23.336 1.00 45.32 N ATOM 662 CA GLN A 42 -8.004 -11.677 22.065 1.00 24.31 C ATOM 663 C GLN A 42 -8.572 -10.318 21.679 1.00 23.11 C ATOM 664 O GLN A 42 -8.714 -10.003 20.497 1.00 73.11 O ATOM 665 CB GLN A 42 -9.130 -12.709 22.156 1.00 64.34 C ATOM 666 CG GLN A 42 -8.742 -13.963 22.920 1.00 12.21 C ATOM 667 CD GLN A 42 -9.359 -15.219 22.336 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.499 -15.347 21.119 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.733 -16.153 23.202 1.00 44.42 N ATOM 0 H GLN A 42 -7.825 -11.947 24.133 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.297 -11.994 21.298 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.993 -12.251 22.639 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.439 -12.988 21.149 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.657 -14.062 22.920 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.052 -13.860 23.960 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -9.598 -16.005 24.202 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -10.155 -17.019 22.867 1.00 44.42 H new ATOM 678 N TRP A 43 -8.891 -9.514 22.690 1.00 55.12 N ATOM 679 CA TRP A 43 -9.438 -8.183 22.467 1.00 54.33 C ATOM 680 C TRP A 43 -8.342 -7.221 22.023 1.00 32.20 C ATOM 681 O TRP A 43 -8.510 -6.483 21.055 1.00 45.45 O ATOM 682 CB TRP A 43 -10.115 -7.665 23.740 1.00 21.24 C ATOM 683 CG TRP A 43 -10.300 -6.175 23.756 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.687 -5.284 24.588 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.145 -5.406 22.894 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.101 -4.007 24.297 1.00 3.05 N ATOM 687 CE2 TRP A 43 -10.995 -4.056 23.260 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.011 -5.728 21.846 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.682 -3.028 22.617 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.692 -4.708 21.208 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.524 -3.373 21.595 1.00 23.41 C ATOM 0 H TRP A 43 -8.779 -9.764 23.673 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.184 -8.246 21.675 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.088 -8.145 23.846 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.519 -7.959 24.604 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -8.980 -5.545 25.362 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -9.793 -3.160 24.775 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.146 -6.755 21.540 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.555 -1.998 22.914 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.365 -4.945 20.397 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.070 -2.599 21.076 1.00 23.41 H new ATOM 702 N GLN A 44 -7.220 -7.231 22.740 1.00 51.52 N ATOM 703 CA GLN A 44 -6.097 -6.352 22.417 1.00 3.30 C ATOM 704 C GLN A 44 -5.792 -6.391 20.921 1.00 74.45 C ATOM 705 O GLN A 44 -5.616 -5.353 20.284 1.00 32.54 O ATOM 706 CB GLN A 44 -4.853 -6.754 23.215 1.00 73.54 C ATOM 707 CG GLN A 44 -5.082 -6.814 24.716 1.00 4.42 C ATOM 708 CD GLN A 44 -5.537 -5.487 25.289 1.00 41.44 C ATOM 709 OE1 GLN A 44 -6.635 -5.014 24.995 1.00 2.02 O ATOM 710 NE2 GLN A 44 -4.692 -4.878 26.111 1.00 2.33 N ATOM 0 H GLN A 44 -7.064 -7.836 23.546 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.376 -5.334 22.689 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.510 -7.729 22.870 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.053 -6.043 23.007 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -5.830 -7.576 24.936 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.160 -7.121 25.209 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -3.792 -5.307 26.327 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.942 -3.981 26.527 1.00 2.33 H new ATOM 719 N HIS A 45 -5.740 -7.599 20.370 1.00 5.13 N ATOM 720 CA HIS A 45 -5.464 -7.784 18.949 1.00 12.51 C ATOM 721 C HIS A 45 -6.549 -7.122 18.100 1.00 52.13 C ATOM 722 O HIS A 45 -6.254 -6.330 17.204 1.00 22.04 O ATOM 723 CB HIS A 45 -5.369 -9.279 18.622 1.00 61.45 C ATOM 724 CG HIS A 45 -5.432 -9.585 17.156 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.330 -9.560 16.330 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.481 -9.922 16.367 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.694 -9.866 15.097 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.994 -10.091 15.094 1.00 45.21 N ATOM 0 H HIS A 45 -5.886 -8.466 20.887 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.510 -7.311 18.715 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.435 -9.670 19.025 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.179 -9.804 19.128 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.508 -10.036 16.681 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.040 -9.922 14.239 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.548 -10.349 14.278 1.00 45.21 H new ATOM 736 N LYS A 46 -7.803 -7.455 18.388 1.00 55.53 N ATOM 737 CA LYS A 46 -8.935 -6.895 17.655 1.00 40.11 C ATOM 738 C LYS A 46 -9.103 -5.408 17.959 1.00 73.41 C ATOM 739 O LYS A 46 -9.731 -4.677 17.199 1.00 51.20 O ATOM 740 CB LYS A 46 -10.218 -7.652 18.015 1.00 2.14 C ATOM 741 CG LYS A 46 -11.459 -7.138 17.301 1.00 34.23 C ATOM 742 CD LYS A 46 -11.766 -7.956 16.059 1.00 13.22 C ATOM 743 CE LYS A 46 -13.264 -8.136 15.867 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.976 -6.829 15.795 1.00 74.13 N ATOM 0 H LYS A 46 -8.062 -8.111 19.125 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.739 -7.005 16.588 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.085 -8.707 17.776 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.377 -7.586 19.091 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.311 -7.172 17.980 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.314 -6.094 17.024 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.342 -7.464 15.184 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -11.288 -8.933 16.138 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.448 -8.700 14.953 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.668 -8.724 16.691 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.973 -6.990 15.546 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.922 -6.353 16.718 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.531 -6.231 15.070 1.00 74.13 H new ATOM 758 N GLN A 47 -8.543 -4.966 19.077 1.00 52.34 N ATOM 759 CA GLN A 47 -8.642 -3.570 19.477 1.00 41.35 C ATOM 760 C GLN A 47 -7.732 -2.685 18.626 1.00 55.42 C ATOM 761 O GLN A 47 -8.179 -1.701 18.036 1.00 61.23 O ATOM 762 CB GLN A 47 -8.289 -3.423 20.957 1.00 50.34 C ATOM 763 CG GLN A 47 -8.322 -1.989 21.448 1.00 75.45 C ATOM 764 CD GLN A 47 -6.996 -1.534 22.027 1.00 54.04 C ATOM 765 OE1 GLN A 47 -5.979 -1.508 21.333 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.000 -1.174 23.306 1.00 24.34 N ATOM 0 H GLN A 47 -8.016 -5.554 19.722 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.670 -3.244 19.320 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -8.985 -4.017 21.549 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.294 -3.834 21.127 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.596 -1.333 20.622 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.098 -1.888 22.207 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -7.866 -1.211 23.844 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.137 -0.860 23.750 1.00 24.34 H new ATOM 775 N THR A 48 -6.451 -3.034 18.582 1.00 2.31 N ATOM 776 CA THR A 48 -5.469 -2.268 17.818 1.00 41.14 C ATOM 777 C THR A 48 -5.891 -2.091 16.361 1.00 32.32 C ATOM 778 O THR A 48 -5.588 -1.070 15.742 1.00 11.51 O ATOM 779 CB THR A 48 -4.101 -2.948 17.881 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.113 -2.142 17.267 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.072 -4.301 17.204 1.00 22.44 C ATOM 0 H THR A 48 -6.066 -3.844 19.067 1.00 2.31 H new ATOM 0 HA THR A 48 -5.407 -1.278 18.270 1.00 41.14 H new ATOM 0 HB THR A 48 -3.897 -3.086 18.943 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.244 -2.593 17.319 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.072 -4.727 17.286 1.00 22.44 H new ATOM 0 HG22 THR A 48 -4.790 -4.964 17.686 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.333 -4.187 16.152 1.00 22.44 H new ATOM 789 N MET A 49 -6.580 -3.086 15.808 1.00 63.31 N ATOM 790 CA MET A 49 -7.021 -3.016 14.416 1.00 24.21 C ATOM 791 C MET A 49 -8.294 -2.188 14.280 1.00 40.42 C ATOM 792 O MET A 49 -8.435 -1.407 13.338 1.00 5.35 O ATOM 793 CB MET A 49 -7.240 -4.419 13.843 1.00 25.43 C ATOM 794 CG MET A 49 -8.108 -5.311 14.712 1.00 13.45 C ATOM 795 SD MET A 49 -9.660 -5.768 13.916 1.00 74.20 S ATOM 796 CE MET A 49 -9.354 -7.493 13.542 1.00 41.13 C ATOM 0 H MET A 49 -6.843 -3.942 16.296 1.00 63.31 H new ATOM 0 HA MET A 49 -6.232 -2.525 13.846 1.00 24.21 H new ATOM 0 HB2 MET A 49 -7.699 -4.331 12.858 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.271 -4.898 13.702 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.554 -6.215 14.963 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.323 -4.798 15.650 1.00 13.45 H new ATOM 0 HE1 MET A 49 -10.226 -7.918 13.045 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.487 -7.575 12.886 1.00 41.13 H new ATOM 0 HE3 MET A 49 -9.162 -8.037 14.467 1.00 41.13 H new ATOM 806 N LEU A 50 -9.215 -2.351 15.225 1.00 10.12 N ATOM 807 CA LEU A 50 -10.469 -1.603 15.205 1.00 72.50 C ATOM 808 C LEU A 50 -10.193 -0.106 15.158 1.00 24.05 C ATOM 809 O LEU A 50 -10.828 0.630 14.405 1.00 31.33 O ATOM 810 CB LEU A 50 -11.314 -1.944 16.434 1.00 35.02 C ATOM 811 CG LEU A 50 -12.048 -3.284 16.364 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.634 -3.642 17.721 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.137 -3.243 15.304 1.00 64.03 C ATOM 0 H LEU A 50 -9.118 -2.992 16.012 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.024 -1.885 14.310 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.667 -1.947 17.311 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.048 -1.152 16.582 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.330 -4.055 16.086 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.153 -4.598 17.653 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.832 -3.716 18.456 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.338 -2.869 18.029 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.648 -4.205 15.270 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.855 -2.460 15.550 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.691 -3.034 14.332 1.00 64.03 H new ATOM 825 N ILE A 51 -9.233 0.333 15.961 1.00 21.21 N ATOM 826 CA ILE A 51 -8.860 1.737 16.010 1.00 51.32 C ATOM 827 C ILE A 51 -8.214 2.172 14.698 1.00 51.43 C ATOM 828 O ILE A 51 -8.443 3.283 14.219 1.00 23.00 O ATOM 829 CB ILE A 51 -7.896 2.004 17.186 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.611 1.744 18.511 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.347 3.426 17.143 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.694 1.257 19.605 1.00 32.24 C ATOM 0 H ILE A 51 -8.698 -0.267 16.589 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.768 2.320 16.161 1.00 51.32 H new ATOM 0 HB ILE A 51 -7.050 1.323 17.097 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.098 2.663 18.838 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -9.397 1.006 18.352 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.672 3.581 17.985 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.805 3.579 16.210 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.172 4.136 17.204 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.269 1.093 20.516 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -7.226 0.321 19.298 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -6.922 2.004 19.792 1.00 32.24 H new ATOM 844 N ASN A 52 -7.410 1.287 14.122 1.00 53.30 N ATOM 845 CA ASN A 52 -6.730 1.578 12.865 1.00 52.52 C ATOM 846 C ASN A 52 -7.708 1.547 11.693 1.00 23.31 C ATOM 847 O ASN A 52 -7.549 2.286 10.721 1.00 63.50 O ATOM 848 CB ASN A 52 -5.598 0.576 12.628 1.00 74.33 C ATOM 849 CG ASN A 52 -4.239 1.148 12.981 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.852 2.209 12.490 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.507 0.444 13.837 1.00 75.53 N ATOM 0 H ASN A 52 -7.213 0.362 14.505 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.309 2.581 12.935 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.778 -0.320 13.223 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.600 0.270 11.582 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.583 0.777 14.113 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.869 -0.430 14.219 1.00 75.53 H new ATOM 858 N GLU A 53 -8.719 0.687 11.788 1.00 22.35 N ATOM 859 CA GLU A 53 -9.716 0.563 10.729 1.00 2.12 C ATOM 860 C GLU A 53 -10.840 1.583 10.906 1.00 0.01 C ATOM 861 O GLU A 53 -11.136 2.354 9.992 1.00 44.44 O ATOM 862 CB GLU A 53 -10.288 -0.855 10.700 1.00 54.44 C ATOM 863 CG GLU A 53 -10.396 -1.437 9.299 1.00 72.53 C ATOM 864 CD GLU A 53 -9.232 -2.345 8.950 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.008 -3.331 9.683 1.00 3.25 O ATOM 866 OE2 GLU A 53 -8.547 -2.070 7.943 1.00 64.12 O ATOM 0 H GLU A 53 -8.869 0.068 12.585 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.223 0.765 9.778 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.658 -1.505 11.307 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.276 -0.849 11.160 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.327 -1.998 9.214 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.446 -0.624 8.575 1.00 72.53 H new ATOM 873 N LYS A 54 -11.462 1.590 12.083 1.00 2.21 N ATOM 874 CA LYS A 54 -12.546 2.529 12.362 1.00 51.31 C ATOM 875 C LYS A 54 -12.006 3.940 12.575 1.00 13.10 C ATOM 876 O LYS A 54 -12.770 4.904 12.632 1.00 20.24 O ATOM 877 CB LYS A 54 -13.341 2.089 13.593 1.00 24.31 C ATOM 878 CG LYS A 54 -14.359 0.998 13.304 1.00 71.11 C ATOM 879 CD LYS A 54 -13.767 -0.386 13.512 1.00 44.52 C ATOM 880 CE LYS A 54 -14.390 -1.408 12.572 1.00 52.22 C ATOM 881 NZ LYS A 54 -13.399 -1.940 11.596 1.00 54.31 N ATOM 0 H LYS A 54 -11.236 0.961 12.854 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.208 2.535 11.496 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.647 1.734 14.355 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.857 2.954 14.010 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.225 1.126 13.954 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.714 1.093 12.278 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.690 -0.350 13.349 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.923 -0.698 14.545 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.805 -2.231 13.154 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -15.219 -0.949 12.034 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -13.764 -2.818 11.174 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -13.238 -1.237 10.847 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -12.502 -2.137 12.084 1.00 54.31 H new ATOM 895 N LYS A 55 -10.685 4.057 12.692 1.00 43.42 N ATOM 896 CA LYS A 55 -10.046 5.350 12.900 1.00 74.11 C ATOM 897 C LYS A 55 -10.386 5.908 14.277 1.00 31.21 C ATOM 898 O LYS A 55 -10.966 6.987 14.396 1.00 5.25 O ATOM 899 CB LYS A 55 -10.472 6.340 11.813 1.00 72.23 C ATOM 900 CG LYS A 55 -10.376 5.772 10.404 1.00 12.00 C ATOM 901 CD LYS A 55 -9.401 6.559 9.541 1.00 1.15 C ATOM 902 CE LYS A 55 -10.092 7.166 8.330 1.00 24.22 C ATOM 903 NZ LYS A 55 -11.035 8.251 8.716 1.00 61.25 N ATOM 0 H LYS A 55 -10.038 3.270 12.646 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.967 5.206 12.842 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.499 6.654 12.001 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.849 7.232 11.880 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -10.058 4.730 10.453 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -11.362 5.783 9.940 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -8.945 7.351 10.135 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -8.595 5.904 9.211 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -9.343 7.563 7.645 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -10.634 6.388 7.793 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -11.486 8.639 7.863 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -11.765 7.867 9.349 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -10.514 9.006 9.206 1.00 61.25 H new ATOM 917 N LEU A 56 -10.012 5.172 15.317 1.00 30.41 N ATOM 918 CA LEU A 56 -10.268 5.598 16.683 1.00 52.41 C ATOM 919 C LEU A 56 -9.075 6.384 17.224 1.00 51.14 C ATOM 920 O LEU A 56 -8.071 6.551 16.533 1.00 44.51 O ATOM 921 CB LEU A 56 -10.553 4.377 17.559 1.00 75.54 C ATOM 922 CG LEU A 56 -11.879 3.669 17.256 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.112 2.529 18.232 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.035 4.660 17.299 1.00 14.14 C ATOM 0 H LEU A 56 -9.530 4.277 15.238 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.141 6.251 16.698 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.739 3.662 17.439 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.553 4.688 18.604 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.824 3.251 16.251 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.058 2.039 18.000 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.300 1.807 18.149 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.146 2.921 19.248 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.968 4.140 17.082 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.092 5.109 18.290 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.873 5.441 16.556 1.00 14.14 H new ATOM 936 N ASN A 57 -9.185 6.866 18.459 1.00 32.03 N ATOM 937 CA ASN A 57 -8.110 7.633 19.076 1.00 20.43 C ATOM 938 C ASN A 57 -8.191 7.556 20.597 1.00 1.23 C ATOM 939 O ASN A 57 -9.018 8.220 21.222 1.00 1.02 O ATOM 940 CB ASN A 57 -8.166 9.092 18.622 1.00 15.31 C ATOM 941 CG ASN A 57 -7.296 9.353 17.408 1.00 61.42 C ATOM 942 OD1 ASN A 57 -7.797 9.514 16.294 1.00 54.21 O ATOM 943 ND2 ASN A 57 -5.985 9.395 17.614 1.00 70.12 N ATOM 0 H ASN A 57 -10.006 6.739 19.050 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.161 7.200 18.758 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.197 9.358 18.391 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -7.846 9.737 19.440 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.351 9.566 16.833 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -5.612 9.256 18.553 1.00 70.12 H new ATOM 950 N MET A 58 -7.328 6.734 21.180 1.00 5.10 N ATOM 951 CA MET A 58 -7.291 6.552 22.628 1.00 4.22 C ATOM 952 C MET A 58 -7.029 7.871 23.351 1.00 4.32 C ATOM 953 O MET A 58 -7.300 7.994 24.546 1.00 31.45 O ATOM 954 CB MET A 58 -6.225 5.521 23.015 1.00 30.22 C ATOM 955 CG MET A 58 -4.944 5.614 22.197 1.00 34.55 C ATOM 956 SD MET A 58 -4.603 4.112 21.262 1.00 24.45 S ATOM 957 CE MET A 58 -6.052 4.026 20.217 1.00 24.34 C ATOM 0 H MET A 58 -6.640 6.179 20.670 1.00 5.10 H new ATOM 0 HA MET A 58 -8.270 6.185 22.937 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.980 5.646 24.070 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.644 4.521 22.902 1.00 30.22 H new ATOM 0 HG2 MET A 58 -5.018 6.456 21.509 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.107 5.820 22.864 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.916 3.243 19.471 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.927 3.799 20.826 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.197 4.983 19.716 1.00 24.34 H new ATOM 967 N MET A 59 -6.505 8.857 22.627 1.00 1.01 N ATOM 968 CA MET A 59 -6.218 10.162 23.212 1.00 74.53 C ATOM 969 C MET A 59 -7.492 10.999 23.314 1.00 71.54 C ATOM 970 O MET A 59 -7.569 11.936 24.109 1.00 44.32 O ATOM 971 CB MET A 59 -5.166 10.900 22.380 1.00 2.02 C ATOM 972 CG MET A 59 -3.858 11.134 23.122 1.00 24.22 C ATOM 973 SD MET A 59 -3.452 12.884 23.285 1.00 11.43 S ATOM 974 CE MET A 59 -1.765 12.786 23.879 1.00 3.04 C ATOM 0 H MET A 59 -6.271 8.777 21.637 1.00 1.01 H new ATOM 0 HA MET A 59 -5.825 10.007 24.217 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.963 10.327 21.475 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.572 11.861 22.065 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.923 10.687 24.114 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.050 10.626 22.595 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.373 13.792 24.029 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.743 12.244 24.824 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.151 12.263 23.146 1.00 3.04 H new ATOM 984 N ASN A 60 -8.492 10.652 22.506 1.00 72.24 N ATOM 985 CA ASN A 60 -9.761 11.368 22.509 1.00 13.25 C ATOM 986 C ASN A 60 -10.822 10.576 23.268 1.00 2.34 C ATOM 987 O ASN A 60 -11.142 9.444 22.909 1.00 73.54 O ATOM 988 CB ASN A 60 -10.227 11.632 21.075 1.00 54.23 C ATOM 989 CG ASN A 60 -10.601 13.083 20.847 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.046 13.749 19.972 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.546 13.582 21.635 1.00 43.22 N ATOM 0 H ASN A 60 -8.446 9.879 21.842 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.614 12.324 23.013 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.435 11.350 20.381 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.086 10.999 20.853 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -11.839 14.553 21.528 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -11.979 12.994 22.347 1.00 43.22 H new ATOM 998 N ALA A 61 -11.362 11.179 24.323 1.00 10.14 N ATOM 999 CA ALA A 61 -12.385 10.528 25.134 1.00 75.00 C ATOM 1000 C ALA A 61 -13.600 10.138 24.295 1.00 54.22 C ATOM 1001 O ALA A 61 -14.349 9.231 24.656 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.803 11.433 26.283 1.00 34.33 C ATOM 0 H ALA A 61 -11.108 12.116 24.636 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.955 9.613 25.542 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.567 10.934 26.880 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.937 11.649 26.909 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.205 12.365 25.885 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.792 10.830 23.175 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.918 10.554 22.290 1.00 72.21 C ATOM 1010 C GLU A 62 -14.809 9.157 21.686 1.00 14.54 C ATOM 1011 O GLU A 62 -15.803 8.442 21.567 1.00 50.50 O ATOM 1012 CB GLU A 62 -14.983 11.599 21.175 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.400 11.928 20.732 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.478 13.226 19.954 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.108 14.280 20.517 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -16.910 13.192 18.782 1.00 50.21 O ATOM 0 H GLU A 62 -13.183 11.585 22.860 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.832 10.603 22.881 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.496 12.513 21.516 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.417 11.238 20.316 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.782 11.115 20.115 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.045 11.994 21.608 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.595 8.775 21.312 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.355 7.462 20.726 1.00 60.41 C ATOM 1025 C HIS A 63 -13.144 6.415 21.813 1.00 12.50 C ATOM 1026 O HIS A 63 -13.557 5.265 21.672 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.140 7.505 19.804 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.402 8.195 18.503 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.440 8.344 17.527 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.524 8.773 18.014 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.957 8.983 16.494 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.220 9.256 16.764 1.00 33.54 N ATOM 0 H HIS A 63 -12.761 9.355 21.404 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.234 7.186 20.143 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.323 8.012 20.317 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.808 6.486 19.605 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.479 8.842 18.513 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.436 9.239 15.583 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.866 9.746 16.145 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.498 6.826 22.899 1.00 13.31 N ATOM 1041 CA ARG A 64 -12.230 5.931 24.019 1.00 25.03 C ATOM 1042 C ARG A 64 -13.504 5.208 24.446 1.00 71.40 C ATOM 1043 O ARG A 64 -13.509 3.992 24.643 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.663 6.721 25.200 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.716 5.917 26.074 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.376 5.701 25.390 1.00 61.24 C ATOM 1047 NE ARG A 64 -9.222 4.329 24.912 1.00 14.00 N ATOM 1048 CZ ARG A 64 -8.263 3.494 25.316 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.352 3.884 26.200 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -8.215 2.261 24.831 1.00 33.54 N ATOM 0 H ARG A 64 -12.149 7.776 23.027 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.498 5.190 23.698 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.137 7.597 24.821 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.488 7.084 25.812 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.563 6.436 27.020 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -11.166 4.952 26.308 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.282 6.390 24.551 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.571 5.935 26.087 1.00 61.24 H new ATOM 0 HE ARG A 64 -9.892 3.987 24.224 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -7.381 4.831 26.578 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -6.624 3.237 26.501 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -8.910 1.953 24.151 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -7.483 1.620 25.138 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.587 5.970 24.578 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.876 5.415 24.971 1.00 31.33 C ATOM 1066 C LYS A 65 -16.418 4.485 23.888 1.00 61.24 C ATOM 1067 O LYS A 65 -17.242 3.612 24.160 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.876 6.538 25.244 1.00 52.43 C ATOM 1069 CG LYS A 65 -17.051 7.493 24.075 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.521 7.744 23.772 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.705 8.930 22.838 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.111 10.160 23.573 1.00 60.30 N ATOM 0 H LYS A 65 -14.595 6.977 24.417 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.734 4.837 25.884 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.843 6.100 25.493 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.547 7.102 26.117 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.559 8.439 24.300 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.562 7.082 23.192 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.957 6.853 23.320 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -19.059 7.926 24.702 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -17.774 9.118 22.303 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -19.460 8.689 22.090 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.226 10.945 22.900 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.012 9.990 24.063 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -18.379 10.406 24.270 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.947 4.671 22.659 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.383 3.836 21.549 1.00 65.44 C ATOM 1088 C LEU A 66 -15.733 2.464 21.646 1.00 64.34 C ATOM 1089 O LEU A 66 -16.385 1.438 21.444 1.00 43.34 O ATOM 1090 CB LEU A 66 -16.032 4.495 20.215 1.00 3.13 C ATOM 1091 CG LEU A 66 -17.108 4.372 19.134 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.918 5.658 19.038 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.479 4.029 17.792 1.00 64.02 C ATOM 0 H LEU A 66 -15.267 5.389 22.409 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.466 3.720 21.602 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.832 5.552 20.390 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -15.108 4.054 19.840 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.784 3.563 19.410 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.678 5.552 18.264 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.400 5.857 19.995 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -17.256 6.487 18.786 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -17.259 3.945 17.035 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.779 4.815 17.507 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.947 3.081 17.871 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.442 2.451 21.973 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.708 1.202 22.117 1.00 22.20 C ATOM 1107 C LEU A 67 -14.339 0.357 23.211 1.00 1.33 C ATOM 1108 O LEU A 67 -14.627 -0.823 23.016 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.240 1.474 22.463 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.212 1.082 21.397 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.849 0.898 22.039 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.627 -0.186 20.660 1.00 25.32 C ATOM 0 H LEU A 67 -13.887 3.290 22.142 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.751 0.665 21.169 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.128 2.538 22.672 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.000 0.941 23.383 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.160 1.887 20.664 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.122 0.619 21.276 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.540 1.831 22.511 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.905 0.112 22.792 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.875 -0.434 19.911 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.716 -1.007 21.371 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.587 -0.024 20.170 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.557 0.979 24.367 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.163 0.293 25.496 1.00 31.11 C ATOM 1126 C GLU A 68 -16.505 -0.319 25.090 1.00 33.44 C ATOM 1127 O GLU A 68 -16.973 -1.279 25.701 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.326 1.256 26.685 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.546 2.158 26.609 1.00 52.31 C ATOM 1130 CD GLU A 68 -16.915 2.756 27.953 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -16.178 2.517 28.934 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -17.942 3.464 28.026 1.00 41.25 O ATOM 0 H GLU A 68 -14.322 1.956 24.543 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.505 -0.518 25.809 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -15.380 0.672 27.604 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -14.434 1.879 26.755 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.355 2.962 25.898 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -17.392 1.587 26.225 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.106 0.242 24.043 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.380 -0.243 23.536 1.00 31.33 C ATOM 1141 C GLN A 69 -18.190 -1.540 22.757 1.00 54.04 C ATOM 1142 O GLN A 69 -18.927 -2.507 22.949 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.019 0.812 22.631 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.539 0.803 22.664 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.106 1.784 23.672 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.677 2.810 23.303 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -20.952 1.473 24.953 1.00 70.13 N ATOM 0 H GLN A 69 -16.726 1.037 23.529 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.036 -0.437 24.385 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.663 1.798 22.930 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.685 0.650 21.606 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.922 1.045 21.672 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.888 -0.201 22.904 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.472 0.612 25.215 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -21.314 2.095 25.676 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.194 -1.548 21.877 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.898 -2.719 21.061 1.00 33.15 C ATOM 1158 C GLU A 70 -16.399 -3.875 21.921 1.00 4.01 C ATOM 1159 O GLU A 70 -16.783 -5.025 21.711 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.856 -2.373 19.996 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.303 -1.276 19.042 1.00 12.23 C ATOM 1162 CD GLU A 70 -15.764 -1.468 17.640 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -15.824 -2.608 17.132 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -15.284 -0.480 17.046 1.00 22.20 O ATOM 0 H GLU A 70 -16.576 -0.753 21.711 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.821 -3.030 20.571 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.935 -2.062 20.488 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.623 -3.270 19.422 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.392 -1.251 19.008 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.973 -0.310 19.425 1.00 12.23 H new ATOM 1171 N MET A 71 -15.538 -3.565 22.889 1.00 72.11 N ATOM 1172 CA MET A 71 -14.988 -4.588 23.775 1.00 42.11 C ATOM 1173 C MET A 71 -16.093 -5.504 24.306 1.00 0.22 C ATOM 1174 O MET A 71 -15.887 -6.704 24.478 1.00 15.12 O ATOM 1175 CB MET A 71 -14.206 -3.935 24.924 1.00 44.14 C ATOM 1176 CG MET A 71 -14.995 -3.767 26.215 1.00 2.34 C ATOM 1177 SD MET A 71 -14.256 -2.547 27.315 1.00 23.31 S ATOM 1178 CE MET A 71 -12.586 -3.176 27.445 1.00 23.35 C ATOM 0 H MET A 71 -15.208 -2.619 23.079 1.00 72.11 H new ATOM 0 HA MET A 71 -14.297 -5.206 23.202 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.321 -4.536 25.131 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.857 -2.955 24.597 1.00 44.14 H new ATOM 0 HG2 MET A 71 -16.016 -3.468 25.978 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.055 -4.727 26.729 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.093 -2.725 28.306 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.614 -4.259 27.568 1.00 23.35 H new ATOM 0 HE3 MET A 71 -12.032 -2.928 26.539 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.270 -4.932 24.550 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.405 -5.707 25.043 1.00 11.44 C ATOM 1190 C VAL A 72 -18.834 -6.733 24.004 1.00 55.10 C ATOM 1191 O VAL A 72 -18.825 -7.934 24.260 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.607 -4.801 25.387 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.803 -5.623 25.867 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.211 -3.772 26.433 1.00 54.21 C ATOM 0 H VAL A 72 -17.462 -3.939 24.415 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.082 -6.213 25.953 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.906 -4.279 24.478 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.633 -4.956 26.101 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.106 -6.317 25.083 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.525 -6.183 26.760 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.069 -3.141 26.665 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.880 -4.282 27.338 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.400 -3.155 26.047 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.202 -6.249 22.822 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.630 -7.124 21.738 1.00 33.53 C ATOM 1206 C ASN A 73 -18.616 -8.243 21.494 1.00 45.13 C ATOM 1207 O ASN A 73 -18.944 -9.268 20.895 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.832 -6.313 20.457 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.698 -7.037 19.445 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.876 -6.721 19.281 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -20.117 -8.016 18.761 1.00 43.31 N ATOM 0 H ASN A 73 -19.212 -5.256 22.591 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.576 -7.582 22.028 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.291 -5.356 20.705 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.861 -6.096 20.011 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -20.651 -8.540 18.067 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -19.137 -8.244 18.930 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.385 -8.042 21.954 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.337 -9.037 21.779 1.00 43.41 C ATOM 1220 C PHE A 74 -16.212 -9.942 23.003 1.00 53.44 C ATOM 1221 O PHE A 74 -16.164 -11.166 22.877 1.00 24.31 O ATOM 1222 CB PHE A 74 -14.997 -8.350 21.507 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.959 -9.269 20.931 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.157 -10.036 21.760 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -13.786 -9.367 19.560 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -12.200 -10.883 21.233 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -12.831 -10.211 19.027 1.00 1.20 C ATOM 1228 CZ PHE A 74 -12.038 -10.970 19.864 1.00 14.42 C ATOM 0 H PHE A 74 -17.091 -7.200 22.450 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.610 -9.657 20.925 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.157 -7.519 20.820 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.619 -7.926 22.438 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -13.281 -9.972 22.831 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -14.405 -8.777 18.900 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -11.580 -11.475 21.890 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -12.705 -10.277 17.956 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.292 -11.631 19.449 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.131 -9.336 24.186 1.00 52.12 N ATOM 1239 CA LEU A 75 -15.978 -10.095 25.425 1.00 13.42 C ATOM 1240 C LEU A 75 -17.277 -10.189 26.231 1.00 31.53 C ATOM 1241 O LEU A 75 -17.603 -11.249 26.768 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.882 -9.465 26.292 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.672 -8.923 25.523 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.291 -7.540 26.029 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.492 -9.878 25.641 1.00 74.13 C ATOM 0 H LEU A 75 -16.169 -8.325 24.312 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.700 -11.110 25.140 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.320 -8.650 26.868 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.534 -10.210 27.007 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.944 -8.840 24.471 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.430 -7.173 25.471 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.130 -6.858 25.892 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.039 -7.597 27.088 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.642 -9.476 25.089 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.221 -9.993 26.690 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.767 -10.849 25.228 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.999 -9.077 26.342 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.240 -9.043 27.122 1.00 61.03 C ATOM 1259 C PHE A 76 -20.486 -9.112 26.253 1.00 53.21 C ATOM 1260 O PHE A 76 -21.539 -8.598 26.629 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.307 -7.769 27.928 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.164 -7.601 28.870 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -16.962 -7.088 28.423 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -18.291 -7.959 30.199 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -15.903 -6.931 29.288 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -17.235 -7.805 31.069 1.00 73.25 C ATOM 1267 CZ PHE A 76 -16.040 -7.290 30.612 1.00 10.35 C ATOM 0 H PHE A 76 -17.750 -8.189 25.905 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.220 -9.922 27.767 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.334 -6.918 27.247 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.239 -7.755 28.493 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -16.852 -6.808 27.386 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -19.226 -8.363 30.558 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -14.967 -6.528 28.930 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -17.342 -8.087 32.106 1.00 73.25 H new ATOM 0 HZ PHE A 76 -15.210 -7.168 31.292 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.363 -9.731 25.105 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.486 -9.858 24.182 1.00 1.24 C ATOM 1279 C GLU A 77 -22.549 -10.794 24.746 1.00 64.35 C ATOM 1280 O GLU A 77 -22.893 -11.803 24.129 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.012 -10.371 22.823 1.00 71.23 C ATOM 1282 CG GLU A 77 -20.018 -11.518 22.919 1.00 55.43 C ATOM 1283 CD GLU A 77 -20.439 -12.725 22.104 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.059 -12.534 21.037 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -20.148 -13.862 22.533 1.00 31.00 O ATOM 0 H GLU A 77 -19.497 -10.159 24.778 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.925 -8.869 24.052 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -21.877 -10.698 22.245 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.554 -9.549 22.273 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -19.041 -11.177 22.577 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -19.906 -11.810 23.963 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.070 -10.455 25.919 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.091 -11.277 26.534 1.00 62.55 C ATOM 1294 C GLY A 78 -24.136 -11.158 28.046 1.00 72.21 C ATOM 1295 O GLY A 78 -25.145 -11.499 28.665 1.00 64.15 O ATOM 0 H GLY A 78 -22.804 -9.628 26.453 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.063 -11.000 26.127 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.918 -12.319 26.265 1.00 62.55 H new