USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 857 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 70 GLN : amide:sc= -0.193 X(o=-0.18,f=-0.49) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.0159 K(o=-0.18,f=-1.1) USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= 0.552 F(o=0.94,f=1.5) USER MOD Set 2.2: A 43 HIS : no HD1:sc= 0.606 K(o=1.5,f=-3.3!) USER MOD Set 2.3: A 47 CYS SG : rot 80:sc= 0.298 USER MOD Single : A 8 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.13) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.31 USER MOD Single : A 12 SER OG : rot 96:sc= 1.26 USER MOD Single : A 14 CYS SG : rot 119:sc= -0.208 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 138:sc= -0.0755 (180deg=-2.86!) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc=-0.00752 (180deg=-0.137) USER MOD Single : A 26 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0578) USER MOD Single : A 36 SER OG : rot 180:sc=-0.000781 USER MOD Single : A 40 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.42) USER MOD Single : A 44 THR OG1 : rot 84:sc= 0.699 USER MOD Single : A 46 GLN : amide:sc= 0.765 K(o=0.76,f=-0.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.63 K(o=0.63,f=-2.9!) USER MOD Single : A 56 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 58 CYS SG : rot 160:sc= -0.372 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0664) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc=1.21e-05 USER MOD Single : A 64 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.57) USER MOD Single : A 67 GLN : amide:sc= 0.342 K(o=0.34,f=-0.16) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0113) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -20:sc= 1.19 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 60:sc= 1.22 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= -0.0171 (180deg=-0.21) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HE2:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -13.422 -8.351 -3.047 1.00 13.12 N ATOM 60 CA LEU A 6 -13.204 -8.516 -1.619 1.00 4.11 C ATOM 61 C LEU A 6 -14.560 -8.852 -1.008 1.00 45.43 C ATOM 62 O LEU A 6 -15.403 -7.963 -0.893 1.00 60.30 O ATOM 63 CB LEU A 6 -12.586 -7.244 -1.011 1.00 72.24 C ATOM 64 CG LEU A 6 -11.047 -7.193 -1.042 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.448 -7.520 -2.414 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.586 -5.790 -0.636 1.00 61.12 C ATOM 0 HA LEU A 6 -12.494 -9.317 -1.411 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -12.975 -6.377 -1.546 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.917 -7.155 0.024 1.00 72.24 H new ATOM 0 HG LEU A 6 -10.697 -7.956 -0.347 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.361 -7.464 -2.359 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -10.745 -8.526 -2.710 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.811 -6.803 -3.150 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.497 -5.745 -0.655 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.992 -5.058 -1.334 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.941 -5.568 0.370 1.00 61.12 H new ATOM 78 N ASP A 7 -14.779 -10.126 -0.686 1.00 75.13 N ATOM 79 CA ASP A 7 -16.007 -10.654 -0.083 1.00 1.34 C ATOM 80 C ASP A 7 -16.112 -10.241 1.389 1.00 50.11 C ATOM 81 O ASP A 7 -15.206 -9.591 1.908 1.00 25.20 O ATOM 82 CB ASP A 7 -16.024 -12.188 -0.210 1.00 22.15 C ATOM 83 CG ASP A 7 -17.433 -12.736 -0.439 1.00 51.25 C ATOM 84 OD1 ASP A 7 -18.227 -12.761 0.530 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -17.742 -13.133 -1.586 1.00 12.54 O ATOM 0 H ASP A 7 -14.078 -10.850 -0.844 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.865 -10.239 -0.612 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -15.381 -12.489 -1.037 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.607 -12.630 0.695 1.00 22.15 H new ATOM 90 N GLN A 8 -17.159 -10.671 2.095 1.00 35.03 N ATOM 91 CA GLN A 8 -17.331 -10.480 3.538 1.00 31.00 C ATOM 92 C GLN A 8 -16.052 -10.845 4.299 1.00 15.44 C ATOM 93 O GLN A 8 -15.570 -10.046 5.107 1.00 42.40 O ATOM 94 CB GLN A 8 -18.517 -11.329 4.037 1.00 11.40 C ATOM 95 CG GLN A 8 -19.865 -10.608 3.956 1.00 73.15 C ATOM 96 CD GLN A 8 -20.147 -9.964 2.607 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.156 -8.742 2.497 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.342 -10.755 1.566 1.00 23.44 N ATOM 0 H GLN A 8 -17.934 -11.177 1.667 1.00 35.03 H new ATOM 0 HA GLN A 8 -17.540 -9.427 3.726 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.569 -12.246 3.450 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -18.333 -11.623 5.070 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -20.659 -11.320 4.179 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -19.900 -9.839 4.728 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.329 -11.768 1.686 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -20.505 -10.352 0.643 1.00 23.44 H new ATOM 107 N LYS A 9 -15.494 -12.029 4.026 1.00 54.03 N ATOM 108 CA LYS A 9 -14.200 -12.444 4.554 1.00 31.31 C ATOM 109 C LYS A 9 -13.134 -11.452 4.128 1.00 71.23 C ATOM 110 O LYS A 9 -12.557 -10.798 4.982 1.00 2.24 O ATOM 111 CB LYS A 9 -13.835 -13.865 4.104 1.00 54.31 C ATOM 112 CG LYS A 9 -14.654 -14.913 4.862 1.00 72.00 C ATOM 113 CD LYS A 9 -14.299 -16.322 4.389 1.00 23.34 C ATOM 114 CE LYS A 9 -15.039 -17.386 5.206 1.00 1.24 C ATOM 115 NZ LYS A 9 -14.662 -18.747 4.777 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.935 -12.728 3.428 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.261 -12.459 5.642 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -14.011 -13.967 3.033 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.772 -14.040 4.270 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.465 -14.825 5.932 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.718 -14.730 4.710 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.553 -16.429 3.334 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -13.224 -16.477 4.475 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -14.811 -17.259 6.264 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -16.115 -17.251 5.094 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -15.179 -19.446 5.348 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.902 -18.874 3.773 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -13.639 -18.881 4.908 1.00 21.22 H new ATOM 129 N THR A 10 -12.849 -11.336 2.835 1.00 74.25 N ATOM 130 CA THR A 10 -11.686 -10.621 2.330 1.00 13.54 C ATOM 131 C THR A 10 -11.663 -9.157 2.814 1.00 52.52 C ATOM 132 O THR A 10 -10.611 -8.660 3.216 1.00 61.23 O ATOM 133 CB THR A 10 -11.676 -10.705 0.796 1.00 0.01 C ATOM 134 OG1 THR A 10 -12.477 -11.761 0.280 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.274 -10.835 0.203 1.00 21.15 C ATOM 0 H THR A 10 -13.428 -11.742 2.100 1.00 74.25 H new ATOM 0 HA THR A 10 -10.783 -11.089 2.722 1.00 13.54 H new ATOM 0 HB THR A 10 -12.106 -9.751 0.490 1.00 0.01 H new ATOM 0 HG1 THR A 10 -12.307 -11.862 -0.680 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.342 -10.889 -0.884 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.677 -9.968 0.486 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.801 -11.741 0.583 1.00 21.15 H new ATOM 143 N PHE A 11 -12.814 -8.476 2.790 1.00 2.31 N ATOM 144 CA PHE A 11 -13.014 -7.090 3.207 1.00 54.43 C ATOM 145 C PHE A 11 -12.807 -6.899 4.713 1.00 2.41 C ATOM 146 O PHE A 11 -12.338 -5.843 5.150 1.00 32.02 O ATOM 147 CB PHE A 11 -14.437 -6.662 2.824 1.00 25.32 C ATOM 148 CG PHE A 11 -14.706 -5.163 2.849 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.904 -4.281 2.097 1.00 32.05 C ATOM 150 CD2 PHE A 11 -15.789 -4.652 3.590 1.00 71.24 C ATOM 151 CE1 PHE A 11 -14.166 -2.897 2.110 1.00 20.31 C ATOM 152 CE2 PHE A 11 -16.058 -3.268 3.589 1.00 72.32 C ATOM 153 CZ PHE A 11 -15.242 -2.392 2.856 1.00 65.24 C ATOM 0 H PHE A 11 -13.678 -8.905 2.460 1.00 2.31 H new ATOM 0 HA PHE A 11 -12.272 -6.473 2.700 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.651 -7.034 1.822 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -15.138 -7.149 3.502 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.085 -4.668 1.508 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -16.415 -5.322 4.161 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -13.538 -2.224 1.545 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -16.894 -2.881 4.153 1.00 72.32 H new ATOM 0 HZ PHE A 11 -15.442 -1.331 2.866 1.00 65.24 H new ATOM 163 N SER A 12 -13.176 -7.908 5.499 1.00 52.41 N ATOM 164 CA SER A 12 -12.863 -7.983 6.922 1.00 3.30 C ATOM 165 C SER A 12 -11.368 -8.263 7.144 1.00 51.11 C ATOM 166 O SER A 12 -10.745 -7.610 7.983 1.00 3.04 O ATOM 167 CB SER A 12 -13.723 -9.053 7.607 1.00 34.53 C ATOM 168 OG SER A 12 -15.106 -8.806 7.408 1.00 33.32 O ATOM 0 H SER A 12 -13.709 -8.708 5.159 1.00 52.41 H new ATOM 0 HA SER A 12 -13.093 -7.017 7.371 1.00 3.30 H new ATOM 0 HB2 SER A 12 -13.466 -10.036 7.213 1.00 34.53 H new ATOM 0 HB3 SER A 12 -13.504 -9.070 8.675 1.00 34.53 H new ATOM 0 HG SER A 12 -15.424 -9.327 6.641 1.00 33.32 H new ATOM 174 N ILE A 13 -10.775 -9.196 6.392 1.00 45.32 N ATOM 175 CA ILE A 13 -9.378 -9.597 6.518 1.00 14.50 C ATOM 176 C ILE A 13 -8.489 -8.375 6.299 1.00 34.12 C ATOM 177 O ILE A 13 -7.664 -8.101 7.164 1.00 34.35 O ATOM 178 CB ILE A 13 -9.043 -10.799 5.597 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.744 -12.080 6.105 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.525 -11.051 5.543 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.821 -13.216 5.074 1.00 3.22 C ATOM 0 H ILE A 13 -11.271 -9.705 5.660 1.00 45.32 H new ATOM 0 HA ILE A 13 -9.183 -9.964 7.526 1.00 14.50 H new ATOM 0 HB ILE A 13 -9.400 -10.554 4.597 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -9.216 -12.442 6.987 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.755 -11.824 6.421 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -7.320 -11.899 4.890 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -7.023 -10.165 5.155 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -7.156 -11.268 6.546 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.328 -14.074 5.515 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -10.376 -12.877 4.200 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.813 -13.504 4.774 1.00 3.22 H new ATOM 193 N CYS A 14 -8.646 -7.601 5.216 1.00 42.43 N ATOM 194 CA CYS A 14 -7.852 -6.379 5.053 1.00 71.02 C ATOM 195 C CYS A 14 -7.911 -5.405 6.230 1.00 75.44 C ATOM 196 O CYS A 14 -6.878 -4.828 6.562 1.00 53.24 O ATOM 197 CB CYS A 14 -8.091 -5.673 3.721 1.00 61.45 C ATOM 198 SG CYS A 14 -9.835 -5.601 3.252 1.00 44.54 S ATOM 0 H CYS A 14 -9.300 -7.794 4.457 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.827 -6.750 5.041 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.696 -4.659 3.779 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.533 -6.188 2.939 1.00 61.45 H new ATOM 0 HG CYS A 14 -10.208 -4.359 3.156 1.00 44.54 H new ATOM 204 N LYS A 15 -9.072 -5.234 6.865 1.00 61.20 N ATOM 205 CA LYS A 15 -9.159 -4.423 8.083 1.00 71.41 C ATOM 206 C LYS A 15 -8.227 -4.928 9.194 1.00 64.32 C ATOM 207 O LYS A 15 -7.617 -4.089 9.857 1.00 53.44 O ATOM 208 CB LYS A 15 -10.612 -4.277 8.587 1.00 2.12 C ATOM 209 CG LYS A 15 -11.292 -3.045 7.969 1.00 72.43 C ATOM 210 CD LYS A 15 -12.619 -2.656 8.645 1.00 54.23 C ATOM 211 CE LYS A 15 -13.752 -3.669 8.456 1.00 22.04 C ATOM 212 NZ LYS A 15 -14.978 -3.266 9.183 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.957 -5.641 6.561 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.812 -3.427 7.806 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -11.179 -5.173 8.336 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.616 -4.192 9.674 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.607 -2.199 8.024 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.477 -3.237 6.912 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.443 -2.523 9.712 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.942 -1.692 8.253 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -13.976 -3.770 7.394 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.426 -4.648 8.807 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -15.722 -3.977 9.030 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -14.771 -3.194 10.200 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -15.303 -2.343 8.830 1.00 53.52 H new ATOM 226 N GLU A 16 -8.065 -6.238 9.399 1.00 32.01 N ATOM 227 CA GLU A 16 -7.086 -6.783 10.324 1.00 34.41 C ATOM 228 C GLU A 16 -5.668 -6.661 9.742 1.00 35.03 C ATOM 229 O GLU A 16 -4.732 -6.315 10.459 1.00 3.44 O ATOM 230 CB GLU A 16 -7.511 -8.230 10.658 1.00 11.31 C ATOM 231 CG GLU A 16 -6.312 -9.087 11.052 1.00 11.31 C ATOM 232 CD GLU A 16 -6.596 -10.226 12.027 1.00 44.31 C ATOM 233 OE1 GLU A 16 -6.459 -9.997 13.257 1.00 73.22 O ATOM 234 OE2 GLU A 16 -6.810 -11.364 11.549 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.617 -6.950 8.921 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.055 -6.220 11.257 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -8.235 -8.219 11.473 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -8.008 -8.673 9.795 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -5.880 -9.510 10.145 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -5.556 -8.438 11.493 1.00 11.31 H new ATOM 241 N ARG A 17 -5.475 -6.965 8.456 1.00 63.14 N ATOM 242 CA ARG A 17 -4.145 -7.015 7.850 1.00 23.14 C ATOM 243 C ARG A 17 -3.495 -5.648 7.980 1.00 53.13 C ATOM 244 O ARG A 17 -2.387 -5.552 8.512 1.00 22.52 O ATOM 245 CB ARG A 17 -4.208 -7.440 6.378 1.00 51.25 C ATOM 246 CG ARG A 17 -4.683 -8.886 6.161 1.00 12.51 C ATOM 247 CD ARG A 17 -3.557 -9.919 6.191 1.00 23.13 C ATOM 248 NE ARG A 17 -3.206 -10.390 7.544 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.217 -11.269 7.747 1.00 41.23 C ATOM 250 NH1 ARG A 17 -1.220 -11.346 6.876 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -2.257 -12.098 8.781 1.00 54.34 N ATOM 0 H ARG A 17 -6.233 -7.182 7.809 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.550 -7.763 8.374 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.878 -6.765 5.845 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -3.219 -7.324 5.935 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -5.414 -9.137 6.930 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -5.196 -8.949 5.201 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.849 -10.776 5.584 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -2.670 -9.487 5.727 1.00 23.13 H new ATOM 0 HE ARG A 17 -3.730 -10.037 8.345 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -1.210 -10.738 6.057 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -0.463 -12.014 7.025 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -3.045 -12.069 9.428 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -1.500 -12.765 8.929 1.00 54.34 H new ATOM 265 N MET A 18 -4.181 -4.599 7.525 1.00 71.35 N ATOM 266 CA MET A 18 -3.719 -3.221 7.571 1.00 21.12 C ATOM 267 C MET A 18 -3.954 -2.659 8.980 1.00 10.24 C ATOM 268 O MET A 18 -4.712 -1.703 9.163 1.00 60.01 O ATOM 269 CB MET A 18 -4.426 -2.379 6.490 1.00 35.41 C ATOM 270 CG MET A 18 -4.417 -2.951 5.065 1.00 63.51 C ATOM 271 SD MET A 18 -2.884 -3.684 4.456 1.00 62.02 S ATOM 272 CE MET A 18 -1.844 -2.208 4.346 1.00 72.55 C ATOM 0 H MET A 18 -5.104 -4.694 7.101 1.00 71.35 H new ATOM 0 HA MET A 18 -2.651 -3.180 7.358 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.463 -2.234 6.794 1.00 35.41 H new ATOM 0 HB3 MET A 18 -3.960 -1.394 6.466 1.00 35.41 H new ATOM 0 HG2 MET A 18 -5.197 -3.710 5.005 1.00 63.51 H new ATOM 0 HG3 MET A 18 -4.699 -2.150 4.382 1.00 63.51 H new ATOM 0 HE1 MET A 18 -0.845 -2.438 4.718 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.779 -1.885 3.307 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.280 -1.410 4.947 1.00 72.55 H new ATOM 282 N ARG A 19 -3.333 -3.264 9.994 1.00 70.53 N ATOM 283 CA ARG A 19 -3.409 -2.836 11.385 1.00 32.31 C ATOM 284 C ARG A 19 -2.261 -1.877 11.663 1.00 1.35 C ATOM 285 O ARG A 19 -2.555 -0.719 11.967 1.00 33.22 O ATOM 286 CB ARG A 19 -3.397 -4.036 12.358 1.00 55.31 C ATOM 287 CG ARG A 19 -4.752 -4.275 13.053 1.00 70.22 C ATOM 288 CD ARG A 19 -4.579 -4.569 14.547 1.00 11.33 C ATOM 289 NE ARG A 19 -4.051 -3.390 15.246 1.00 22.22 N ATOM 290 CZ ARG A 19 -4.324 -2.978 16.480 1.00 44.22 C ATOM 291 NH1 ARG A 19 -5.100 -3.699 17.277 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -3.824 -1.818 16.866 1.00 44.53 N ATOM 0 H ARG A 19 -2.747 -4.089 9.862 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.357 -2.324 11.550 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.114 -4.935 11.811 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -2.632 -3.871 13.117 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.386 -3.397 12.926 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.264 -5.110 12.575 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.537 -4.857 14.980 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -3.902 -5.412 14.682 1.00 11.33 H new ATOM 0 HE ARG A 19 -3.393 -2.816 14.719 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -5.494 -4.579 16.945 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -5.303 -3.373 18.222 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -3.250 -1.271 16.224 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -4.012 -1.469 17.806 1.00 44.53 H new ATOM 306 N PRO A 20 -0.984 -2.283 11.526 1.00 55.23 N ATOM 307 CA PRO A 20 0.141 -1.454 11.939 1.00 5.31 C ATOM 308 C PRO A 20 0.211 -0.114 11.206 1.00 5.24 C ATOM 309 O PRO A 20 0.607 0.893 11.796 1.00 22.40 O ATOM 310 CB PRO A 20 1.385 -2.315 11.718 1.00 24.21 C ATOM 311 CG PRO A 20 0.953 -3.383 10.730 1.00 41.52 C ATOM 312 CD PRO A 20 -0.493 -3.600 11.132 1.00 62.13 C ATOM 0 HA PRO A 20 0.040 -1.160 12.984 1.00 5.31 H new ATOM 0 HB2 PRO A 20 2.210 -1.722 11.323 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.730 -2.758 12.652 1.00 24.21 H new ATOM 0 HG2 PRO A 20 1.046 -3.048 9.697 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.546 -4.293 10.824 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.075 -4.005 10.304 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.570 -4.311 11.955 1.00 62.13 H new ATOM 320 N VAL A 21 -0.243 -0.064 9.954 1.00 53.43 N ATOM 321 CA VAL A 21 -0.182 1.112 9.092 1.00 65.33 C ATOM 322 C VAL A 21 -1.504 1.891 9.032 1.00 34.13 C ATOM 323 O VAL A 21 -1.676 2.708 8.130 1.00 65.24 O ATOM 324 CB VAL A 21 0.339 0.696 7.702 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.815 0.310 7.803 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.446 -0.468 7.079 1.00 41.14 C ATOM 0 H VAL A 21 -0.677 -0.867 9.499 1.00 53.43 H new ATOM 0 HA VAL A 21 0.522 1.821 9.528 1.00 65.33 H new ATOM 0 HB VAL A 21 0.204 1.557 7.048 1.00 4.30 H new ATOM 0 HG11 VAL A 21 2.182 0.016 6.820 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.390 1.162 8.165 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.926 -0.524 8.496 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.026 -0.709 6.102 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.378 -1.341 7.728 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.491 -0.182 6.964 1.00 41.14 H new ATOM 336 N LYS A 22 -2.443 1.672 9.963 1.00 4.01 N ATOM 337 CA LYS A 22 -3.722 2.389 9.991 1.00 52.15 C ATOM 338 C LYS A 22 -3.526 3.896 9.878 1.00 32.24 C ATOM 339 O LYS A 22 -4.124 4.498 8.993 1.00 35.14 O ATOM 340 CB LYS A 22 -4.547 2.011 11.242 1.00 14.31 C ATOM 341 CG LYS A 22 -5.849 1.279 10.882 1.00 51.24 C ATOM 342 CD LYS A 22 -7.020 2.244 10.617 1.00 4.42 C ATOM 343 CE LYS A 22 -7.804 2.598 11.895 1.00 30.13 C ATOM 344 NZ LYS A 22 -8.571 1.449 12.422 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.336 0.993 10.717 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.292 2.077 9.116 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -3.945 1.378 11.894 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -4.784 2.914 11.805 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -5.683 0.664 9.997 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.117 0.603 11.694 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.636 3.159 10.167 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.699 1.794 9.893 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -7.110 2.949 12.659 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -8.487 3.421 11.683 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.258 1.784 13.127 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.076 0.982 11.642 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -7.920 0.772 12.868 1.00 62.13 H new ATOM 358 N ALA A 23 -2.656 4.483 10.704 1.00 3.10 N ATOM 359 CA ALA A 23 -2.336 5.905 10.646 1.00 60.23 C ATOM 360 C ALA A 23 -1.904 6.314 9.240 1.00 22.25 C ATOM 361 O ALA A 23 -2.443 7.264 8.689 1.00 61.41 O ATOM 362 CB ALA A 23 -1.211 6.234 11.630 1.00 13.54 C ATOM 0 H ALA A 23 -2.153 3.979 11.434 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.236 6.459 10.914 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -0.981 7.298 11.577 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.527 5.981 12.642 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.322 5.658 11.373 1.00 13.54 H new ATOM 368 N ALA A 24 -0.931 5.597 8.670 1.00 33.30 N ATOM 369 CA ALA A 24 -0.306 5.962 7.409 1.00 54.32 C ATOM 370 C ALA A 24 -1.324 5.934 6.272 1.00 25.33 C ATOM 371 O ALA A 24 -1.370 6.851 5.456 1.00 41.25 O ATOM 372 CB ALA A 24 0.863 5.012 7.121 1.00 1.31 C ATOM 0 H ALA A 24 -0.557 4.741 9.079 1.00 33.30 H new ATOM 0 HA ALA A 24 0.077 6.980 7.484 1.00 54.32 H new ATOM 0 HB1 ALA A 24 1.331 5.287 6.175 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.597 5.085 7.923 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.493 3.988 7.059 1.00 1.31 H new ATOM 378 N LEU A 25 -2.129 4.870 6.207 1.00 62.25 N ATOM 379 CA LEU A 25 -3.134 4.699 5.168 1.00 63.42 C ATOM 380 C LEU A 25 -4.250 5.732 5.333 1.00 64.02 C ATOM 381 O LEU A 25 -4.690 6.305 4.341 1.00 34.33 O ATOM 382 CB LEU A 25 -3.580 3.222 5.108 1.00 1.32 C ATOM 383 CG LEU A 25 -4.896 2.819 5.802 1.00 2.24 C ATOM 384 CD1 LEU A 25 -6.115 3.079 4.908 1.00 2.21 C ATOM 385 CD2 LEU A 25 -4.862 1.323 6.138 1.00 60.44 C ATOM 0 H LEU A 25 -2.098 4.103 6.879 1.00 62.25 H new ATOM 0 HA LEU A 25 -2.720 4.906 4.181 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.661 2.943 4.057 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -2.781 2.617 5.537 1.00 1.32 H new ATOM 0 HG LEU A 25 -4.986 3.423 6.705 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -7.022 2.782 5.434 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -6.168 4.140 4.665 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.022 2.500 3.989 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -5.793 1.039 6.629 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -4.745 0.747 5.220 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -4.024 1.119 6.804 1.00 60.44 H new ATOM 397 N LYS A 26 -4.698 5.995 6.566 1.00 54.00 N ATOM 398 CA LYS A 26 -5.778 6.948 6.811 1.00 74.52 C ATOM 399 C LYS A 26 -5.307 8.378 6.535 1.00 13.22 C ATOM 400 O LYS A 26 -6.027 9.136 5.899 1.00 65.43 O ATOM 401 CB LYS A 26 -6.349 6.756 8.227 1.00 21.25 C ATOM 402 CG LYS A 26 -7.807 7.232 8.386 1.00 45.03 C ATOM 403 CD LYS A 26 -8.806 6.288 7.694 1.00 54.44 C ATOM 404 CE LYS A 26 -10.268 6.550 8.086 1.00 30.32 C ATOM 405 NZ LYS A 26 -10.758 7.876 7.670 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.326 5.558 7.409 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.597 6.757 6.118 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.292 5.700 8.490 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -5.722 7.296 8.937 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -8.051 7.302 9.446 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -7.908 8.234 7.969 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.703 6.392 6.614 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.551 5.257 7.941 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -10.899 5.781 7.640 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -10.369 6.457 9.167 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -11.744 7.995 7.980 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -10.168 8.615 8.102 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -10.709 7.955 6.634 1.00 3.34 H new ATOM 419 N GLN A 27 -4.067 8.729 6.870 1.00 44.31 N ATOM 420 CA GLN A 27 -3.491 10.021 6.491 1.00 45.20 C ATOM 421 C GLN A 27 -3.396 10.224 4.971 1.00 75.11 C ATOM 422 O GLN A 27 -3.156 11.351 4.535 1.00 3.23 O ATOM 423 CB GLN A 27 -2.107 10.223 7.129 1.00 63.33 C ATOM 424 CG GLN A 27 -2.194 10.683 8.591 1.00 62.13 C ATOM 425 CD GLN A 27 -0.948 11.478 8.956 1.00 71.01 C ATOM 426 OE1 GLN A 27 0.027 10.867 9.599 1.00 33.44 O flip ATOM 427 NE2 GLN A 27 -0.832 12.652 8.605 1.00 1.20 N flip ATOM 0 H GLN A 27 -3.437 8.133 7.407 1.00 44.31 H new ATOM 0 HA GLN A 27 -4.182 10.772 6.874 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.548 9.289 7.078 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.549 10.961 6.552 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -3.083 11.296 8.737 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -2.291 9.819 9.249 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -1.594 13.113 8.108 1.00 1.20 H new ATOM 0 HE22 GLN A 27 0.026 13.164 8.811 1.00 1.20 H new ATOM 436 N LEU A 28 -3.580 9.184 4.155 1.00 32.11 N ATOM 437 CA LEU A 28 -3.627 9.276 2.706 1.00 1.43 C ATOM 438 C LEU A 28 -5.063 9.265 2.173 1.00 13.42 C ATOM 439 O LEU A 28 -5.245 9.397 0.963 1.00 2.11 O ATOM 440 CB LEU A 28 -2.759 8.153 2.097 1.00 33.02 C ATOM 441 CG LEU A 28 -1.393 8.627 1.573 1.00 3.21 C ATOM 442 CD1 LEU A 28 -1.541 9.530 0.340 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.537 9.308 2.646 1.00 62.12 C ATOM 0 H LEU A 28 -3.703 8.232 4.500 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.214 10.237 2.399 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.599 7.383 2.852 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.308 7.688 1.278 1.00 33.02 H new ATOM 0 HG LEU A 28 -0.861 7.723 1.276 1.00 3.21 H new ATOM 0 HD11 LEU A 28 -0.555 9.845 -0.001 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -2.042 8.979 -0.456 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -2.132 10.408 0.601 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.413 9.618 2.211 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.063 10.182 3.030 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.351 8.609 3.461 1.00 62.12 H new ATOM 455 N ASP A 29 -6.067 9.107 3.046 1.00 4.35 N ATOM 456 CA ASP A 29 -7.486 9.051 2.707 1.00 23.20 C ATOM 457 C ASP A 29 -8.108 10.448 2.694 1.00 70.54 C ATOM 458 O ASP A 29 -8.829 10.796 1.763 1.00 54.23 O ATOM 459 CB ASP A 29 -8.202 8.042 3.630 1.00 44.14 C ATOM 460 CG ASP A 29 -9.097 8.566 4.763 1.00 22.52 C ATOM 461 OD1 ASP A 29 -8.741 9.475 5.547 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -10.150 7.932 4.988 1.00 42.44 O ATOM 0 H ASP A 29 -5.900 9.011 4.048 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.612 8.682 1.689 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.815 7.398 2.999 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.437 7.411 4.082 1.00 44.14 H new ATOM 467 N ARG A 30 -7.777 11.281 3.680 1.00 1.15 N ATOM 468 CA ARG A 30 -8.090 12.704 3.737 1.00 60.23 C ATOM 469 C ARG A 30 -7.110 13.339 4.721 1.00 21.12 C ATOM 470 O ARG A 30 -7.386 13.340 5.924 1.00 42.23 O ATOM 471 CB ARG A 30 -9.563 12.976 4.111 1.00 12.30 C ATOM 472 CG ARG A 30 -9.954 14.461 3.953 1.00 32.22 C ATOM 473 CD ARG A 30 -10.054 14.869 2.475 1.00 61.42 C ATOM 474 NE ARG A 30 -10.375 16.298 2.280 1.00 74.33 N ATOM 475 CZ ARG A 30 -11.076 16.800 1.250 1.00 54.25 C ATOM 476 NH1 ARG A 30 -11.634 15.988 0.357 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -11.210 18.118 1.109 1.00 42.22 N ATOM 0 H ARG A 30 -7.258 10.964 4.499 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.976 13.151 2.750 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -10.212 12.365 3.483 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -9.735 12.667 5.142 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -10.910 14.640 4.445 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.216 15.087 4.454 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -9.109 14.646 1.980 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.819 14.263 1.990 1.00 61.42 H new ATOM 0 HE ARG A 30 -10.038 16.955 2.983 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -11.531 14.978 0.452 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -12.165 16.375 -0.423 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -10.780 18.750 1.784 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -11.743 18.496 0.326 1.00 42.22 H new ATOM 491 N PRO A 31 -5.908 13.748 4.291 1.00 42.22 N ATOM 492 CA PRO A 31 -4.993 14.453 5.172 1.00 54.35 C ATOM 493 C PRO A 31 -5.584 15.779 5.654 1.00 4.11 C ATOM 494 O PRO A 31 -6.374 16.418 4.953 1.00 74.21 O ATOM 495 CB PRO A 31 -3.713 14.674 4.372 1.00 32.13 C ATOM 496 CG PRO A 31 -4.104 14.437 2.917 1.00 42.02 C ATOM 497 CD PRO A 31 -5.329 13.532 2.978 1.00 44.54 C ATOM 0 HA PRO A 31 -4.797 13.872 6.073 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -3.328 15.683 4.517 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.929 13.985 4.686 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -4.332 15.376 2.412 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.293 13.966 2.362 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.040 13.781 2.190 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.052 12.487 2.839 1.00 44.54 H new ATOM 505 N GLU A 32 -5.122 16.219 6.824 1.00 1.13 N ATOM 506 CA GLU A 32 -5.411 17.526 7.409 1.00 30.44 C ATOM 507 C GLU A 32 -4.394 18.586 6.999 1.00 4.33 C ATOM 508 O GLU A 32 -4.601 19.765 7.266 1.00 30.13 O ATOM 509 CB GLU A 32 -5.464 17.407 8.941 1.00 33.11 C ATOM 510 CG GLU A 32 -4.071 17.269 9.590 1.00 14.44 C ATOM 511 CD GLU A 32 -4.104 16.496 10.904 1.00 31.31 C ATOM 512 OE1 GLU A 32 -4.574 15.333 10.896 1.00 41.22 O ATOM 513 OE2 GLU A 32 -3.614 17.010 11.935 1.00 23.13 O1- ATOM 0 H GLU A 32 -4.512 15.652 7.413 1.00 1.13 H new ATOM 0 HA GLU A 32 -6.380 17.849 7.027 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -5.962 18.286 9.350 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -6.070 16.542 9.211 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -3.400 16.765 8.894 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -3.659 18.262 9.768 1.00 14.44 H new ATOM 520 N LYS A 33 -3.307 18.148 6.365 1.00 52.24 N ATOM 521 CA LYS A 33 -2.180 18.922 5.867 1.00 32.14 C ATOM 522 C LYS A 33 -1.432 19.750 6.920 1.00 2.41 C ATOM 523 O LYS A 33 -0.603 20.574 6.542 1.00 0.40 O ATOM 524 CB LYS A 33 -2.661 19.758 4.669 1.00 62.42 C ATOM 525 CG LYS A 33 -1.535 19.933 3.653 1.00 63.41 C ATOM 526 CD LYS A 33 -2.050 20.480 2.322 1.00 51.51 C ATOM 527 CE LYS A 33 -0.950 21.150 1.492 1.00 43.22 C ATOM 528 NZ LYS A 33 -0.545 22.455 2.061 1.00 43.21 N1+ ATOM 0 H LYS A 33 -3.186 17.154 6.172 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.413 18.217 5.548 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -3.513 19.270 4.196 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -3.003 20.734 5.013 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -0.783 20.610 4.057 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -1.044 18.974 3.486 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -2.490 19.666 1.745 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -2.845 21.201 2.513 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -0.083 20.492 1.440 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -1.303 21.293 0.471 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 0.058 22.958 1.380 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -1.392 23.025 2.260 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -0.016 22.300 2.943 1.00 43.21 H new ATOM 542 N GLY A 34 -1.667 19.546 8.216 1.00 62.23 N ATOM 543 CA GLY A 34 -1.267 20.499 9.248 1.00 43.33 C ATOM 544 C GLY A 34 0.238 20.725 9.424 1.00 1.12 C ATOM 545 O GLY A 34 0.600 21.746 10.009 1.00 35.04 O ATOM 0 H GLY A 34 -2.139 18.717 8.578 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.732 21.459 9.024 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -1.675 20.161 10.201 1.00 43.33 H new ATOM 549 N LEU A 35 1.099 19.825 8.934 1.00 20.30 N ATOM 550 CA LEU A 35 2.547 19.835 9.197 1.00 75.01 C ATOM 551 C LEU A 35 3.205 21.099 8.618 1.00 50.32 C ATOM 552 O LEU A 35 3.267 22.132 9.274 1.00 62.14 O ATOM 553 CB LEU A 35 3.212 18.569 8.612 1.00 30.55 C ATOM 554 CG LEU A 35 2.931 17.266 9.385 1.00 75.10 C ATOM 555 CD1 LEU A 35 1.869 16.421 8.663 1.00 74.41 C ATOM 556 CD2 LEU A 35 4.220 16.442 9.508 1.00 10.10 C ATOM 0 H LEU A 35 0.806 19.055 8.333 1.00 20.30 H new ATOM 0 HA LEU A 35 2.692 19.840 10.277 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.875 18.443 7.583 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.290 18.727 8.577 1.00 30.55 H new ATOM 0 HG LEU A 35 2.563 17.534 10.375 1.00 75.10 H new ATOM 0 HD11 LEU A 35 1.687 15.506 9.227 1.00 74.41 H new ATOM 0 HD12 LEU A 35 0.942 16.990 8.585 1.00 74.41 H new ATOM 0 HD13 LEU A 35 2.224 16.167 7.664 1.00 74.41 H new ATOM 0 HD21 LEU A 35 4.013 15.523 10.056 1.00 10.10 H new ATOM 0 HD22 LEU A 35 4.591 16.196 8.513 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.973 17.021 10.043 1.00 10.10 H new ATOM 568 N SER A 36 3.601 21.064 7.344 1.00 13.30 N ATOM 569 CA SER A 36 3.981 22.207 6.554 1.00 21.20 C ATOM 570 C SER A 36 3.902 21.797 5.080 1.00 65.31 C ATOM 571 O SER A 36 3.772 20.615 4.747 1.00 60.15 O ATOM 572 CB SER A 36 5.395 22.653 6.953 1.00 50.44 C ATOM 573 OG SER A 36 5.802 23.837 6.294 1.00 62.23 O ATOM 0 H SER A 36 3.664 20.190 6.822 1.00 13.30 H new ATOM 0 HA SER A 36 3.316 23.054 6.723 1.00 21.20 H new ATOM 0 HB2 SER A 36 5.431 22.812 8.031 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.101 21.854 6.725 1.00 50.44 H new ATOM 0 HG SER A 36 6.707 24.078 6.584 1.00 62.23 H new ATOM 579 N GLU A 37 4.028 22.791 4.204 1.00 43.12 N ATOM 580 CA GLU A 37 4.045 22.682 2.756 1.00 23.33 C ATOM 581 C GLU A 37 5.133 21.707 2.298 1.00 0.42 C ATOM 582 O GLU A 37 4.870 20.791 1.511 1.00 53.05 O ATOM 583 CB GLU A 37 4.202 24.093 2.149 1.00 4.24 C ATOM 584 CG GLU A 37 5.545 24.796 2.435 1.00 51.34 C ATOM 585 CD GLU A 37 5.548 26.271 2.031 1.00 10.03 C ATOM 586 OE1 GLU A 37 5.052 26.600 0.936 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 6.078 27.105 2.804 1.00 20.55 O ATOM 0 H GLU A 37 4.127 23.758 4.513 1.00 43.12 H new ATOM 0 HA GLU A 37 3.103 22.268 2.397 1.00 23.33 H new ATOM 0 HB2 GLU A 37 4.073 24.021 1.069 1.00 4.24 H new ATOM 0 HB3 GLU A 37 3.396 24.723 2.525 1.00 4.24 H new ATOM 0 HG2 GLU A 37 5.771 24.716 3.498 1.00 51.34 H new ATOM 0 HG3 GLU A 37 6.341 24.277 1.900 1.00 51.34 H new ATOM 594 N ARG A 38 6.358 21.890 2.797 1.00 21.15 N ATOM 595 CA ARG A 38 7.490 21.032 2.479 1.00 61.30 C ATOM 596 C ARG A 38 7.286 19.671 3.116 1.00 25.54 C ATOM 597 O ARG A 38 7.490 18.657 2.466 1.00 2.34 O ATOM 598 CB ARG A 38 8.804 21.677 2.953 1.00 12.35 C ATOM 599 CG ARG A 38 10.040 20.922 2.431 1.00 63.40 C ATOM 600 CD ARG A 38 10.248 21.106 0.917 1.00 71.42 C ATOM 601 NE ARG A 38 11.579 21.661 0.637 1.00 64.41 N ATOM 602 CZ ARG A 38 11.891 22.768 -0.043 1.00 71.50 C ATOM 603 NH1 ARG A 38 11.010 23.381 -0.831 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 13.117 23.256 0.097 1.00 51.23 N ATOM 0 H ARG A 38 6.589 22.648 3.440 1.00 21.15 H new ATOM 0 HA ARG A 38 7.556 20.905 1.398 1.00 61.30 H new ATOM 0 HB2 ARG A 38 8.842 22.712 2.614 1.00 12.35 H new ATOM 0 HB3 ARG A 38 8.825 21.697 4.043 1.00 12.35 H new ATOM 0 HG2 ARG A 38 10.926 21.272 2.961 1.00 63.40 H new ATOM 0 HG3 ARG A 38 9.934 19.860 2.653 1.00 63.40 H new ATOM 0 HD2 ARG A 38 10.135 20.147 0.411 1.00 71.42 H new ATOM 0 HD3 ARG A 38 9.481 21.770 0.518 1.00 71.42 H new ATOM 0 HE ARG A 38 12.368 21.133 1.010 1.00 64.41 H new ATOM 0 HH11 ARG A 38 10.066 23.007 -0.929 1.00 14.30 H new ATOM 0 HH12 ARG A 38 11.279 24.225 -1.337 1.00 14.30 H new ATOM 0 HH21 ARG A 38 13.786 22.787 0.708 1.00 51.23 H new ATOM 0 HH22 ARG A 38 13.391 24.100 -0.407 1.00 51.23 H new ATOM 618 N GLU A 39 6.890 19.638 4.383 1.00 34.32 N ATOM 619 CA GLU A 39 6.996 18.420 5.175 1.00 22.23 C ATOM 620 C GLU A 39 5.972 17.378 4.738 1.00 4.10 C ATOM 621 O GLU A 39 6.283 16.194 4.758 1.00 34.05 O ATOM 622 CB GLU A 39 6.897 18.749 6.669 1.00 71.25 C ATOM 623 CG GLU A 39 7.878 19.845 7.125 1.00 31.04 C ATOM 624 CD GLU A 39 9.374 19.486 7.058 1.00 75.22 C ATOM 625 OE1 GLU A 39 9.834 18.804 6.113 1.00 73.33 O ATOM 626 OE2 GLU A 39 10.141 19.919 7.947 1.00 14.54 O1- ATOM 0 H GLU A 39 6.495 20.436 4.881 1.00 34.32 H new ATOM 0 HA GLU A 39 7.976 17.975 5.000 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.879 19.067 6.896 1.00 71.25 H new ATOM 0 HB3 GLU A 39 7.084 17.843 7.245 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.710 20.732 6.513 1.00 31.04 H new ATOM 0 HG3 GLU A 39 7.636 20.116 8.153 1.00 31.04 H new ATOM 633 N GLN A 40 4.811 17.784 4.209 1.00 75.44 N ATOM 634 CA GLN A 40 3.897 16.882 3.506 1.00 33.21 C ATOM 635 C GLN A 40 4.610 16.035 2.446 1.00 45.12 C ATOM 636 O GLN A 40 4.187 14.921 2.142 1.00 73.12 O ATOM 637 CB GLN A 40 2.828 17.719 2.795 1.00 44.22 C ATOM 638 CG GLN A 40 1.677 18.151 3.700 1.00 34.02 C ATOM 639 CD GLN A 40 0.706 16.996 3.925 1.00 3.44 C ATOM 640 OE1 GLN A 40 -0.024 16.597 3.015 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.678 16.448 5.129 1.00 2.34 N ATOM 0 H GLN A 40 4.481 18.748 4.258 1.00 75.44 H new ATOM 0 HA GLN A 40 3.466 16.211 4.249 1.00 33.21 H new ATOM 0 HB2 GLN A 40 3.298 18.607 2.372 1.00 44.22 H new ATOM 0 HB3 GLN A 40 2.425 17.144 1.961 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.069 18.495 4.657 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.151 18.993 3.251 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.293 16.798 5.863 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.041 15.675 5.323 1.00 2.34 H new ATOM 650 N LEU A 41 5.652 16.575 1.819 1.00 41.12 N ATOM 651 CA LEU A 41 6.335 15.953 0.701 1.00 15.34 C ATOM 652 C LEU A 41 7.336 14.894 1.126 1.00 23.34 C ATOM 653 O LEU A 41 7.818 14.133 0.293 1.00 52.42 O ATOM 654 CB LEU A 41 7.066 17.050 -0.058 1.00 21.03 C ATOM 655 CG LEU A 41 7.342 16.737 -1.534 1.00 0.11 C ATOM 656 CD1 LEU A 41 6.064 16.352 -2.287 1.00 22.31 C ATOM 657 CD2 LEU A 41 7.981 17.976 -2.156 1.00 65.33 C ATOM 0 H LEU A 41 6.049 17.476 2.084 1.00 41.12 H new ATOM 0 HA LEU A 41 5.589 15.449 0.086 1.00 15.34 H new ATOM 0 HB2 LEU A 41 6.479 17.966 0.001 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.015 17.247 0.441 1.00 21.03 H new ATOM 0 HG LEU A 41 8.010 15.879 -1.605 1.00 0.11 H new ATOM 0 HD11 LEU A 41 6.306 16.139 -3.328 1.00 22.31 H new ATOM 0 HD12 LEU A 41 5.624 15.467 -1.828 1.00 22.31 H new ATOM 0 HD13 LEU A 41 5.352 17.176 -2.241 1.00 22.31 H new ATOM 0 HD21 LEU A 41 8.191 17.787 -3.209 1.00 65.33 H new ATOM 0 HD22 LEU A 41 7.298 18.821 -2.068 1.00 65.33 H new ATOM 0 HD23 LEU A 41 8.911 18.206 -1.636 1.00 65.33 H new ATOM 669 N GLU A 42 7.673 14.841 2.404 1.00 33.24 N ATOM 670 CA GLU A 42 8.348 13.684 2.987 1.00 33.03 C ATOM 671 C GLU A 42 7.326 12.789 3.677 1.00 40.42 C ATOM 672 O GLU A 42 7.365 11.577 3.475 1.00 21.43 O ATOM 673 CB GLU A 42 9.562 14.094 3.829 1.00 30.51 C ATOM 674 CG GLU A 42 9.327 14.393 5.312 1.00 14.32 C ATOM 675 CD GLU A 42 9.284 13.160 6.221 1.00 3.02 C ATOM 676 OE1 GLU A 42 10.272 12.386 6.217 1.00 44.20 O ATOM 677 OE2 GLU A 42 8.306 13.031 6.983 1.00 2.14 O1- ATOM 0 H GLU A 42 7.489 15.593 3.068 1.00 33.24 H new ATOM 0 HA GLU A 42 8.791 13.070 2.203 1.00 33.03 H new ATOM 0 HB2 GLU A 42 10.303 13.298 3.760 1.00 30.51 H new ATOM 0 HB3 GLU A 42 10.003 14.980 3.373 1.00 30.51 H new ATOM 0 HG2 GLU A 42 10.117 15.057 5.663 1.00 14.32 H new ATOM 0 HG3 GLU A 42 8.386 14.934 5.414 1.00 14.32 H new ATOM 684 N HIS A 43 6.357 13.378 4.380 1.00 44.33 N ATOM 685 CA HIS A 43 5.374 12.660 5.179 1.00 44.01 C ATOM 686 C HIS A 43 4.586 11.664 4.321 1.00 54.41 C ATOM 687 O HIS A 43 4.381 10.513 4.712 1.00 14.03 O ATOM 688 CB HIS A 43 4.433 13.655 5.870 1.00 30.04 C ATOM 689 CG HIS A 43 3.804 13.062 7.103 1.00 15.00 C ATOM 690 ND1 HIS A 43 4.316 13.146 8.376 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.705 12.248 7.150 1.00 25.41 C ATOM 692 CE1 HIS A 43 3.534 12.412 9.182 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.541 11.840 8.478 1.00 71.41 N ATOM 0 H HIS A 43 6.235 14.390 4.407 1.00 44.33 H new ATOM 0 HA HIS A 43 5.900 12.088 5.944 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.988 14.553 6.141 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.652 13.961 5.174 1.00 30.04 H new ATOM 0 HD2 HIS A 43 2.079 11.971 6.315 1.00 25.41 H new ATOM 0 HE1 HIS A 43 3.681 12.297 10.246 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.811 11.228 8.842 1.00 71.41 H new ATOM 701 N THR A 44 4.171 12.070 3.120 1.00 62.13 N ATOM 702 CA THR A 44 3.479 11.181 2.196 1.00 71.14 C ATOM 703 C THR A 44 4.370 10.009 1.793 1.00 32.51 C ATOM 704 O THR A 44 3.854 8.903 1.650 1.00 73.14 O ATOM 705 CB THR A 44 3.030 11.981 0.968 1.00 22.00 C ATOM 706 OG1 THR A 44 2.160 13.000 1.399 1.00 22.10 O ATOM 707 CG2 THR A 44 2.287 11.155 -0.085 1.00 62.22 C ATOM 0 H THR A 44 4.305 13.017 2.766 1.00 62.13 H new ATOM 0 HA THR A 44 2.602 10.764 2.690 1.00 71.14 H new ATOM 0 HB THR A 44 3.938 12.359 0.498 1.00 22.00 H new ATOM 0 HG1 THR A 44 2.684 13.770 1.704 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.005 11.798 -0.919 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.936 10.356 -0.445 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.390 10.722 0.358 1.00 62.22 H new ATOM 715 N ARG A 45 5.681 10.208 1.585 1.00 24.01 N ATOM 716 CA ARG A 45 6.560 9.097 1.223 1.00 72.21 C ATOM 717 C ARG A 45 6.790 8.194 2.427 1.00 64.44 C ATOM 718 O ARG A 45 6.759 6.981 2.253 1.00 71.53 O ATOM 719 CB ARG A 45 7.878 9.551 0.576 1.00 64.22 C ATOM 720 CG ARG A 45 7.667 9.998 -0.883 1.00 11.44 C ATOM 721 CD ARG A 45 7.428 11.504 -0.983 1.00 54.04 C ATOM 722 NE ARG A 45 7.108 11.980 -2.349 1.00 4.24 N ATOM 723 CZ ARG A 45 7.728 12.992 -2.983 1.00 42.41 C ATOM 724 NH1 ARG A 45 8.889 13.458 -2.542 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 7.190 13.547 -4.063 1.00 0.40 N ATOM 0 H ARG A 45 6.145 11.113 1.661 1.00 24.01 H new ATOM 0 HA ARG A 45 6.051 8.520 0.451 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.303 10.373 1.152 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.600 8.735 0.607 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.540 9.728 -1.476 1.00 11.44 H new ATOM 0 HG3 ARG A 45 6.816 9.465 -1.308 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.611 11.776 -0.315 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.317 12.026 -0.628 1.00 54.04 H new ATOM 0 HE ARG A 45 6.358 11.502 -2.849 1.00 4.24 H new ATOM 0 HH11 ARG A 45 9.321 13.049 -1.714 1.00 25.00 H new ATOM 0 HH12 ARG A 45 9.349 14.226 -3.031 1.00 25.00 H new ATOM 0 HH21 ARG A 45 6.297 13.207 -4.420 1.00 0.40 H new ATOM 0 HH22 ARG A 45 7.669 14.314 -4.535 1.00 0.40 H new ATOM 739 N GLN A 46 6.934 8.752 3.628 1.00 54.25 N ATOM 740 CA GLN A 46 6.997 7.979 4.867 1.00 14.35 C ATOM 741 C GLN A 46 5.778 7.064 4.984 1.00 34.32 C ATOM 742 O GLN A 46 5.931 5.890 5.314 1.00 63.33 O ATOM 743 CB GLN A 46 7.060 8.907 6.089 1.00 1.03 C ATOM 744 CG GLN A 46 8.360 9.708 6.197 1.00 71.03 C ATOM 745 CD GLN A 46 9.496 8.983 6.909 1.00 64.21 C ATOM 746 OE1 GLN A 46 9.487 7.763 7.097 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.482 9.739 7.355 1.00 72.22 N ATOM 0 H GLN A 46 7.011 9.759 3.769 1.00 54.25 H new ATOM 0 HA GLN A 46 7.903 7.373 4.839 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.220 9.601 6.049 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.937 8.310 6.993 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.690 9.976 5.193 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.154 10.640 6.724 1.00 71.03 H new ATOM 0 HE21 GLN A 46 10.469 10.745 7.188 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.257 9.317 7.866 1.00 72.22 H new ATOM 756 N CYS A 47 4.573 7.588 4.751 1.00 43.24 N ATOM 757 CA CYS A 47 3.337 6.835 4.768 1.00 44.42 C ATOM 758 C CYS A 47 3.353 5.763 3.674 1.00 2.22 C ATOM 759 O CYS A 47 3.217 4.581 3.982 1.00 63.24 O ATOM 760 CB CYS A 47 2.187 7.832 4.600 1.00 3.33 C ATOM 761 SG CYS A 47 2.040 8.860 6.091 1.00 22.35 S ATOM 0 H CYS A 47 4.436 8.577 4.540 1.00 43.24 H new ATOM 0 HA CYS A 47 3.209 6.303 5.711 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.365 8.462 3.729 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.254 7.298 4.422 1.00 3.33 H new ATOM 0 HG CYS A 47 2.931 9.806 6.056 1.00 22.35 H new ATOM 767 N LEU A 48 3.565 6.180 2.421 1.00 4.13 N ATOM 768 CA LEU A 48 3.611 5.352 1.216 1.00 3.12 C ATOM 769 C LEU A 48 4.449 4.099 1.444 1.00 50.02 C ATOM 770 O LEU A 48 3.968 2.983 1.212 1.00 33.14 O ATOM 771 CB LEU A 48 4.217 6.206 0.081 1.00 72.14 C ATOM 772 CG LEU A 48 4.641 5.473 -1.200 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.445 4.830 -1.880 1.00 73.51 C ATOM 774 CD2 LEU A 48 5.297 6.465 -2.168 1.00 44.04 C ATOM 0 H LEU A 48 3.718 7.166 2.211 1.00 4.13 H new ATOM 0 HA LEU A 48 2.605 5.024 0.953 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.489 6.970 -0.192 1.00 72.14 H new ATOM 0 HB3 LEU A 48 5.090 6.725 0.478 1.00 72.14 H new ATOM 0 HG LEU A 48 5.350 4.691 -0.927 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.773 4.318 -2.784 1.00 73.51 H new ATOM 0 HD12 LEU A 48 2.984 4.111 -1.202 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.718 5.599 -2.142 1.00 73.51 H new ATOM 0 HD21 LEU A 48 5.597 5.943 -3.076 1.00 44.04 H new ATOM 0 HD22 LEU A 48 4.586 7.252 -2.420 1.00 44.04 H new ATOM 0 HD23 LEU A 48 6.175 6.907 -1.697 1.00 44.04 H new ATOM 786 N ILE A 49 5.706 4.281 1.847 1.00 4.15 N ATOM 787 CA ILE A 49 6.612 3.171 2.003 1.00 22.35 C ATOM 788 C ILE A 49 6.136 2.245 3.117 1.00 73.31 C ATOM 789 O ILE A 49 6.064 1.049 2.872 1.00 54.42 O ATOM 790 CB ILE A 49 8.083 3.599 2.123 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.413 4.327 3.441 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.499 4.397 0.861 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.865 4.788 3.498 1.00 33.54 C ATOM 0 H ILE A 49 6.109 5.191 2.069 1.00 4.15 H new ATOM 0 HA ILE A 49 6.590 2.590 1.081 1.00 22.35 H new ATOM 0 HB ILE A 49 8.689 2.694 2.171 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.756 5.189 3.552 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.212 3.662 4.281 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.543 4.699 0.949 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.376 3.771 -0.023 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.871 5.283 0.768 1.00 45.11 H new ATOM 0 HD11 ILE A 49 10.049 5.295 4.445 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.525 3.924 3.415 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.061 5.475 2.675 1.00 33.54 H new ATOM 805 N LYS A 50 5.737 2.766 4.285 1.00 54.03 N ATOM 806 CA LYS A 50 5.306 1.929 5.396 1.00 10.45 C ATOM 807 C LYS A 50 4.160 1.033 4.942 1.00 65.14 C ATOM 808 O LYS A 50 4.154 -0.144 5.289 1.00 21.01 O ATOM 809 CB LYS A 50 4.896 2.808 6.593 1.00 64.21 C ATOM 810 CG LYS A 50 5.643 2.503 7.903 1.00 11.34 C ATOM 811 CD LYS A 50 7.155 2.769 7.807 1.00 30.02 C ATOM 812 CE LYS A 50 7.758 2.978 9.203 1.00 53.21 C ATOM 813 NZ LYS A 50 9.233 3.043 9.162 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.706 3.767 4.478 1.00 54.03 H new ATOM 0 HA LYS A 50 6.130 1.293 5.720 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.061 3.853 6.332 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.826 2.688 6.765 1.00 64.21 H new ATOM 0 HG2 LYS A 50 5.223 3.110 8.705 1.00 11.34 H new ATOM 0 HG3 LYS A 50 5.479 1.460 8.174 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.647 1.930 7.315 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.336 3.650 7.191 1.00 30.02 H new ATOM 0 HE2 LYS A 50 7.366 3.899 9.634 1.00 53.21 H new ATOM 0 HE3 LYS A 50 7.449 2.163 9.858 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 9.601 3.185 10.124 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 9.609 2.154 8.775 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 9.529 3.836 8.558 1.00 51.25 H new ATOM 827 N ILE A 51 3.198 1.580 4.193 1.00 24.51 N ATOM 828 CA ILE A 51 2.048 0.833 3.711 1.00 1.44 C ATOM 829 C ILE A 51 2.539 -0.287 2.792 1.00 1.23 C ATOM 830 O ILE A 51 2.261 -1.456 3.060 1.00 42.41 O ATOM 831 CB ILE A 51 1.030 1.765 3.015 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.461 2.841 3.969 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.136 0.937 2.448 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.056 4.066 3.200 1.00 62.13 C ATOM 0 H ILE A 51 3.201 2.559 3.906 1.00 24.51 H new ATOM 0 HA ILE A 51 1.518 0.384 4.551 1.00 1.44 H new ATOM 0 HB ILE A 51 1.565 2.275 2.214 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.350 2.413 4.559 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.235 3.152 4.670 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.849 1.600 1.959 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.247 0.218 1.723 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.633 0.405 3.259 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.448 4.799 3.905 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.761 4.510 2.631 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.849 3.759 2.518 1.00 62.13 H new ATOM 846 N GLY A 52 3.229 0.053 1.700 1.00 60.25 N ATOM 847 CA GLY A 52 3.589 -0.929 0.682 1.00 12.12 C ATOM 848 C GLY A 52 4.502 -2.029 1.217 1.00 41.42 C ATOM 849 O GLY A 52 4.456 -3.171 0.738 1.00 1.12 O ATOM 0 H GLY A 52 3.548 1.001 1.501 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.681 -1.380 0.282 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.085 -0.422 -0.146 1.00 12.12 H new ATOM 853 N ASP A 53 5.323 -1.683 2.200 1.00 15.43 N ATOM 854 CA ASP A 53 6.256 -2.558 2.885 1.00 23.03 C ATOM 855 C ASP A 53 5.484 -3.535 3.765 1.00 4.51 C ATOM 856 O ASP A 53 5.636 -4.742 3.606 1.00 64.45 O ATOM 857 CB ASP A 53 7.207 -1.660 3.676 1.00 51.04 C ATOM 858 CG ASP A 53 8.451 -2.357 4.195 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.059 -3.185 3.480 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 8.942 -1.840 5.221 1.00 2.34 O ATOM 0 H ASP A 53 5.355 -0.729 2.559 1.00 15.43 H new ATOM 0 HA ASP A 53 6.840 -3.167 2.195 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.511 -0.828 3.041 1.00 51.04 H new ATOM 0 HB3 ASP A 53 6.665 -1.235 4.521 1.00 51.04 H new ATOM 865 N HIS A 54 4.548 -3.052 4.589 1.00 4.14 N ATOM 866 CA HIS A 54 3.721 -3.928 5.415 1.00 61.14 C ATOM 867 C HIS A 54 2.795 -4.809 4.578 1.00 71.00 C ATOM 868 O HIS A 54 2.483 -5.925 4.998 1.00 13.33 O ATOM 869 CB HIS A 54 2.883 -3.100 6.390 1.00 31.12 C ATOM 870 CG HIS A 54 3.655 -2.661 7.599 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.465 -1.560 7.680 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.650 -3.264 8.825 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.904 -1.464 8.943 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.421 -2.475 9.686 1.00 52.53 N ATOM 0 H HIS A 54 4.347 -2.058 4.699 1.00 4.14 H new ATOM 0 HA HIS A 54 4.400 -4.580 5.964 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.497 -2.221 5.873 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.021 -3.686 6.709 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.694 -0.925 6.915 1.00 41.41 H new ATOM 0 HD2 HIS A 54 3.143 -4.182 9.083 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.554 -0.684 9.312 1.00 33.05 H new ATOM 882 N ILE A 55 2.335 -4.336 3.413 1.00 14.30 N ATOM 883 CA ILE A 55 1.644 -5.184 2.446 1.00 11.25 C ATOM 884 C ILE A 55 2.592 -6.323 2.060 1.00 40.53 C ATOM 885 O ILE A 55 2.204 -7.492 2.146 1.00 21.05 O ATOM 886 CB ILE A 55 1.130 -4.353 1.250 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.044 -3.454 1.681 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.689 -5.228 0.069 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.618 -2.586 0.556 1.00 63.25 C ATOM 0 H ILE A 55 2.432 -3.364 3.120 1.00 14.30 H new ATOM 0 HA ILE A 55 0.746 -5.627 2.876 1.00 11.25 H new ATOM 0 HB ILE A 55 1.968 -3.740 0.917 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.840 -4.082 2.082 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.289 -2.805 2.491 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.337 -4.592 -0.743 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.533 -5.825 -0.277 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.117 -5.889 0.387 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.440 -1.984 0.944 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.161 -1.929 0.169 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.984 -3.226 -0.247 1.00 63.25 H new ATOM 901 N THR A 56 3.813 -5.983 1.628 1.00 5.22 N ATOM 902 CA THR A 56 4.810 -6.961 1.215 1.00 13.14 C ATOM 903 C THR A 56 5.005 -8.024 2.306 1.00 44.41 C ATOM 904 O THR A 56 4.965 -9.211 1.985 1.00 3.10 O ATOM 905 CB THR A 56 6.115 -6.256 0.789 1.00 23.42 C ATOM 906 OG1 THR A 56 5.816 -5.285 -0.203 1.00 70.12 O ATOM 907 CG2 THR A 56 7.145 -7.219 0.197 1.00 44.22 C ATOM 0 H THR A 56 4.132 -5.017 1.557 1.00 5.22 H new ATOM 0 HA THR A 56 4.456 -7.496 0.334 1.00 13.14 H new ATOM 0 HB THR A 56 6.540 -5.809 1.688 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.435 -4.489 0.223 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.041 -6.666 -0.084 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.403 -7.976 0.938 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.726 -7.703 -0.685 1.00 44.22 H new ATOM 915 N GLU A 57 5.121 -7.623 3.574 1.00 33.02 N ATOM 916 CA GLU A 57 5.367 -8.535 4.686 1.00 24.11 C ATOM 917 C GLU A 57 4.161 -9.426 5.002 1.00 32.24 C ATOM 918 O GLU A 57 4.340 -10.564 5.441 1.00 3.40 O ATOM 919 CB GLU A 57 5.805 -7.739 5.924 1.00 61.11 C ATOM 920 CG GLU A 57 7.191 -7.094 5.753 1.00 73.54 C ATOM 921 CD GLU A 57 8.316 -8.126 5.633 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.498 -8.716 4.545 1.00 1.40 O ATOM 923 OE2 GLU A 57 9.056 -8.319 6.629 1.00 10.24 O1- ATOM 0 H GLU A 57 5.046 -6.646 3.857 1.00 33.02 H new ATOM 0 HA GLU A 57 6.170 -9.208 4.386 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.070 -6.961 6.130 1.00 61.11 H new ATOM 0 HB3 GLU A 57 5.821 -8.401 6.790 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.186 -6.464 4.864 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.391 -6.443 6.604 1.00 73.54 H new ATOM 930 N CYS A 58 2.935 -8.959 4.738 1.00 11.34 N ATOM 931 CA CYS A 58 1.743 -9.802 4.812 1.00 0.31 C ATOM 932 C CYS A 58 1.841 -10.908 3.764 1.00 73.23 C ATOM 933 O CYS A 58 1.629 -12.083 4.063 1.00 13.34 O ATOM 934 CB CYS A 58 0.475 -8.974 4.559 1.00 31.54 C ATOM 935 SG CYS A 58 -0.193 -8.333 6.110 1.00 43.24 S ATOM 0 H CYS A 58 2.745 -7.993 4.469 1.00 11.34 H new ATOM 0 HA CYS A 58 1.684 -10.235 5.810 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.704 -8.147 3.887 1.00 31.54 H new ATOM 0 HB3 CYS A 58 -0.274 -9.591 4.062 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.973 -7.323 5.862 1.00 43.24 H new ATOM 941 N LEU A 59 2.122 -10.531 2.515 1.00 64.12 N ATOM 942 CA LEU A 59 2.131 -11.492 1.414 1.00 53.20 C ATOM 943 C LEU A 59 3.328 -12.430 1.530 1.00 72.32 C ATOM 944 O LEU A 59 3.271 -13.541 1.001 1.00 72.00 O ATOM 945 CB LEU A 59 2.214 -10.784 0.062 1.00 14.43 C ATOM 946 CG LEU A 59 1.039 -9.900 -0.399 1.00 53.24 C ATOM 947 CD1 LEU A 59 -0.119 -9.713 0.583 1.00 71.42 C ATOM 948 CD2 LEU A 59 1.570 -8.542 -0.855 1.00 3.53 C ATOM 0 H LEU A 59 2.345 -9.573 2.243 1.00 64.12 H new ATOM 0 HA LEU A 59 1.201 -12.057 1.476 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.108 -10.161 0.073 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.367 -11.549 -0.700 1.00 14.43 H new ATOM 0 HG LEU A 59 0.588 -10.458 -1.219 1.00 53.24 H new ATOM 0 HD11 LEU A 59 -0.877 -9.071 0.134 1.00 71.42 H new ATOM 0 HD12 LEU A 59 -0.558 -10.683 0.817 1.00 71.42 H new ATOM 0 HD13 LEU A 59 0.251 -9.252 1.499 1.00 71.42 H new ATOM 0 HD21 LEU A 59 0.739 -7.917 -1.181 1.00 3.53 H new ATOM 0 HD22 LEU A 59 2.086 -8.056 -0.027 1.00 3.53 H new ATOM 0 HD23 LEU A 59 2.265 -8.682 -1.683 1.00 3.53 H new ATOM 960 N LYS A 60 4.416 -12.003 2.183 1.00 42.43 N ATOM 961 CA LYS A 60 5.585 -12.832 2.426 1.00 35.12 C ATOM 962 C LYS A 60 5.257 -14.069 3.227 1.00 40.54 C ATOM 963 O LYS A 60 5.991 -15.050 3.120 1.00 41.41 O ATOM 964 CB LYS A 60 6.677 -12.035 3.162 1.00 54.12 C ATOM 965 CG LYS A 60 7.930 -11.903 2.303 1.00 34.15 C ATOM 966 CD LYS A 60 7.839 -10.742 1.305 1.00 11.14 C ATOM 967 CE LYS A 60 8.944 -10.773 0.233 1.00 52.11 C ATOM 968 NZ LYS A 60 10.275 -11.091 0.790 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.502 -11.059 2.559 1.00 42.43 H new ATOM 0 HA LYS A 60 5.948 -13.145 1.447 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.300 -11.044 3.416 1.00 54.12 H new ATOM 0 HB3 LYS A 60 6.925 -12.532 4.100 1.00 54.12 H new ATOM 0 HG2 LYS A 60 8.795 -11.755 2.949 1.00 34.15 H new ATOM 0 HG3 LYS A 60 8.093 -12.833 1.759 1.00 34.15 H new ATOM 0 HD2 LYS A 60 6.866 -10.769 0.815 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.896 -9.799 1.849 1.00 11.14 H new ATOM 0 HE2 LYS A 60 8.687 -11.512 -0.526 1.00 52.11 H new ATOM 0 HE3 LYS A 60 8.986 -9.805 -0.266 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.002 -10.933 0.063 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.464 -10.478 1.608 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.297 -12.086 1.091 1.00 72.35 H new ATOM 982 N GLU A 61 4.191 -14.036 4.018 1.00 54.21 N ATOM 983 CA GLU A 61 3.882 -15.179 4.851 1.00 54.40 C ATOM 984 C GLU A 61 3.387 -16.335 3.985 1.00 62.01 C ATOM 985 O GLU A 61 3.686 -17.493 4.273 1.00 3.42 O ATOM 986 CB GLU A 61 2.822 -14.811 5.886 1.00 64.41 C ATOM 987 CG GLU A 61 3.081 -15.597 7.178 1.00 21.14 C ATOM 988 CD GLU A 61 1.923 -15.543 8.176 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.772 -15.287 7.760 1.00 3.14 O ATOM 990 OE2 GLU A 61 2.143 -15.801 9.385 1.00 63.12 O1- ATOM 0 H GLU A 61 3.545 -13.251 4.096 1.00 54.21 H new ATOM 0 HA GLU A 61 4.788 -15.487 5.374 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.849 -13.740 6.087 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.828 -15.038 5.502 1.00 64.41 H new ATOM 0 HG2 GLU A 61 3.282 -16.638 6.925 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.979 -15.206 7.656 1.00 21.14 H new ATOM 997 N TYR A 62 2.625 -16.032 2.926 1.00 60.23 N ATOM 998 CA TYR A 62 2.067 -17.087 2.094 1.00 13.04 C ATOM 999 C TYR A 62 3.189 -17.678 1.241 1.00 13.02 C ATOM 1000 O TYR A 62 4.215 -17.034 0.995 1.00 51.53 O ATOM 1001 CB TYR A 62 0.917 -16.584 1.212 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.090 -15.702 1.905 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.811 -16.211 2.993 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.311 -14.386 1.463 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.786 -15.425 3.616 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.246 -13.575 2.124 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.999 -14.092 3.201 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.923 -13.311 3.823 1.00 10.34 O ATOM 0 H TYR A 62 2.389 -15.083 2.635 1.00 60.23 H new ATOM 0 HA TYR A 62 1.643 -17.855 2.741 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.340 -16.033 0.372 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.395 -17.447 0.798 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.614 -17.211 3.351 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.238 -14.000 0.617 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.379 -15.839 4.418 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.390 -12.552 1.808 1.00 62.34 H new ATOM 0 HH TYR A 62 -2.935 -12.424 3.407 1.00 10.34 H new ATOM 1018 N THR A 63 2.967 -18.871 0.717 1.00 43.11 N ATOM 1019 CA THR A 63 3.877 -19.557 -0.191 1.00 35.33 C ATOM 1020 C THR A 63 3.182 -19.736 -1.540 1.00 12.01 C ATOM 1021 O THR A 63 3.721 -19.386 -2.594 1.00 41.13 O ATOM 1022 CB THR A 63 4.267 -20.900 0.450 1.00 2.33 C ATOM 1023 OG1 THR A 63 3.119 -21.543 0.975 1.00 32.45 O ATOM 1024 CG2 THR A 63 5.293 -20.701 1.571 1.00 31.03 C ATOM 0 H THR A 63 2.123 -19.408 0.916 1.00 43.11 H new ATOM 0 HA THR A 63 4.788 -18.984 -0.364 1.00 35.33 H new ATOM 0 HB THR A 63 4.714 -21.522 -0.326 1.00 2.33 H new ATOM 0 HG1 THR A 63 3.379 -22.397 1.379 1.00 32.45 H new ATOM 0 HG21 THR A 63 5.550 -21.667 2.005 1.00 31.03 H new ATOM 0 HG22 THR A 63 6.191 -20.236 1.164 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.869 -20.058 2.342 1.00 31.03 H new ATOM 1032 N ASN A 64 1.960 -20.266 -1.479 1.00 22.12 N ATOM 1033 CA ASN A 64 1.178 -20.718 -2.615 1.00 20.34 C ATOM 1034 C ASN A 64 0.960 -19.602 -3.639 1.00 62.22 C ATOM 1035 O ASN A 64 0.739 -18.453 -3.246 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.160 -21.269 -2.093 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.423 -22.680 -2.583 1.00 21.22 C ATOM 1038 OD1 ASN A 64 0.469 -23.522 -2.618 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.652 -22.973 -2.957 1.00 53.22 N ATOM 0 H ASN A 64 1.472 -20.395 -0.593 1.00 22.12 H new ATOM 0 HA ASN A 64 1.723 -21.504 -3.137 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.156 -21.259 -1.003 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.971 -20.616 -2.415 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.875 -23.913 -3.283 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -2.380 -22.259 -2.921 1.00 53.22 H new ATOM 1046 N PRO A 65 0.949 -19.917 -4.948 1.00 2.25 N ATOM 1047 CA PRO A 65 1.021 -18.906 -5.997 1.00 15.53 C ATOM 1048 C PRO A 65 -0.264 -18.083 -6.085 1.00 14.03 C ATOM 1049 O PRO A 65 -0.209 -16.868 -6.288 1.00 64.50 O ATOM 1050 CB PRO A 65 1.314 -19.674 -7.291 1.00 31.12 C ATOM 1051 CG PRO A 65 0.774 -21.076 -7.022 1.00 31.01 C ATOM 1052 CD PRO A 65 1.023 -21.253 -5.527 1.00 54.11 C ATOM 0 HA PRO A 65 1.802 -18.173 -5.793 1.00 15.53 H new ATOM 0 HB2 PRO A 65 0.821 -19.214 -8.148 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.382 -19.693 -7.510 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.285 -21.156 -7.268 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.296 -21.830 -7.611 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.278 -21.913 -5.083 1.00 54.11 H new ATOM 0 HD3 PRO A 65 1.998 -21.704 -5.344 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.414 -18.736 -5.916 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.696 -18.051 -5.868 1.00 32.01 C ATOM 1062 C GLU A 66 -2.710 -17.077 -4.696 1.00 34.31 C ATOM 1063 O GLU A 66 -2.994 -15.905 -4.905 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.842 -19.068 -5.786 1.00 33.45 C ATOM 1065 CG GLU A 66 -4.759 -18.979 -7.003 1.00 24.12 C ATOM 1066 CD GLU A 66 -5.842 -20.051 -6.928 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.585 -21.190 -7.379 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -6.941 -19.747 -6.406 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.478 -19.748 -5.810 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.841 -17.477 -6.783 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.431 -20.075 -5.712 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.421 -18.892 -4.879 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -5.218 -17.991 -7.050 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -4.177 -19.104 -7.916 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.359 -17.521 -3.487 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.432 -16.692 -2.300 1.00 44.41 C ATOM 1077 C GLN A 67 -1.517 -15.482 -2.419 1.00 71.14 C ATOM 1078 O GLN A 67 -1.990 -14.355 -2.274 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.075 -17.528 -1.068 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.302 -17.755 -0.189 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.999 -18.833 0.830 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -3.029 -20.017 0.512 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.626 -18.444 2.034 1.00 3.24 N ATOM 0 H GLN A 67 -2.017 -18.466 -3.312 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.451 -16.320 -2.194 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.665 -18.488 -1.382 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.299 -17.022 -0.493 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.577 -16.829 0.316 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.153 -18.049 -0.803 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.612 -17.451 2.268 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.352 -19.136 2.731 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.221 -15.697 -2.674 1.00 1.22 N ATOM 1093 CA ILE A 68 0.720 -14.599 -2.818 1.00 12.50 C ATOM 1094 C ILE A 68 0.222 -13.619 -3.883 1.00 71.12 C ATOM 1095 O ILE A 68 0.177 -12.429 -3.583 1.00 55.41 O ATOM 1096 CB ILE A 68 2.175 -15.071 -3.023 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.362 -15.953 -4.257 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.725 -15.828 -1.815 1.00 13.44 C ATOM 1099 CD1 ILE A 68 3.016 -15.175 -5.393 1.00 33.44 C ATOM 0 H ILE A 68 0.192 -16.623 -2.783 1.00 1.22 H new ATOM 0 HA ILE A 68 0.759 -14.054 -1.875 1.00 12.50 H new ATOM 0 HB ILE A 68 2.732 -14.144 -3.163 1.00 33.42 H new ATOM 0 HG12 ILE A 68 2.977 -16.816 -4.001 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.395 -16.336 -4.584 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.751 -16.136 -2.015 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.705 -15.179 -0.939 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.112 -16.709 -1.628 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.137 -15.827 -6.258 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.387 -14.327 -5.663 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.993 -14.814 -5.071 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.197 -14.055 -5.084 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.600 -13.086 -6.111 1.00 12.30 C ATOM 1113 C LYS A 69 -1.935 -12.420 -5.793 1.00 53.31 C ATOM 1114 O LYS A 69 -2.051 -11.208 -5.987 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.651 -13.723 -7.506 1.00 34.45 C ATOM 1116 CG LYS A 69 0.759 -14.090 -7.998 1.00 41.45 C ATOM 1117 CD LYS A 69 0.849 -14.116 -9.527 1.00 30.22 C ATOM 1118 CE LYS A 69 0.965 -12.705 -10.113 1.00 41.34 C ATOM 1119 NZ LYS A 69 2.324 -12.154 -9.948 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.264 -15.035 -5.359 1.00 64.12 H new ATOM 0 HA LYS A 69 0.168 -12.313 -6.109 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -1.274 -14.617 -7.479 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.116 -13.031 -8.208 1.00 34.45 H new ATOM 0 HG2 LYS A 69 1.478 -13.371 -7.605 1.00 41.45 H new ATOM 0 HG3 LYS A 69 1.037 -15.067 -7.603 1.00 41.45 H new ATOM 0 HD2 LYS A 69 1.712 -14.708 -9.830 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.034 -14.608 -9.935 1.00 30.22 H new ATOM 0 HE2 LYS A 69 0.708 -12.729 -11.172 1.00 41.34 H new ATOM 0 HE3 LYS A 69 0.245 -12.048 -9.625 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 2.392 -11.243 -10.445 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 2.521 -12.013 -8.937 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 3.018 -12.818 -10.346 1.00 65.32 H new ATOM 1133 N GLN A 70 -2.932 -13.168 -5.335 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.257 -12.626 -5.115 1.00 72.22 C ATOM 1135 C GLN A 70 -4.194 -11.623 -3.973 1.00 73.44 C ATOM 1136 O GLN A 70 -4.686 -10.510 -4.130 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.268 -13.748 -4.843 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.725 -13.303 -5.018 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.014 -12.700 -6.394 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -6.628 -13.243 -7.428 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.640 -11.535 -6.445 1.00 61.54 N ATOM 0 H GLN A 70 -2.841 -14.158 -5.109 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.601 -12.111 -6.012 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.066 -14.581 -5.516 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.127 -14.117 -3.827 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.380 -14.159 -4.860 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.968 -12.569 -4.249 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -7.958 -11.089 -5.585 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -7.804 -11.083 -7.345 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.553 -11.962 -2.847 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.393 -11.017 -1.760 1.00 1.41 C ATOM 1152 C TRP A 71 -2.512 -9.844 -2.172 1.00 43.13 C ATOM 1153 O TRP A 71 -2.780 -8.725 -1.723 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.889 -11.716 -0.503 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.917 -12.571 0.169 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.840 -13.903 0.388 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.153 -12.130 0.805 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.942 -14.314 1.115 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.783 -13.259 1.400 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.773 -10.874 0.981 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.983 -13.146 2.118 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.976 -10.751 1.696 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.584 -11.885 2.262 1.00 10.30 C ATOM 0 H TRP A 71 -3.143 -12.880 -2.676 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.371 -10.599 -1.520 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.030 -12.334 -0.763 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.538 -10.964 0.203 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.042 -14.546 0.048 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -5.112 -15.277 1.404 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.314 -9.992 0.559 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.440 -14.021 2.556 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.436 -9.781 1.811 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.511 -11.787 2.807 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.532 -10.054 -3.072 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.688 -8.966 -3.579 1.00 44.24 C ATOM 1176 C ARG A 72 -1.582 -7.835 -4.073 1.00 25.40 C ATOM 1177 O ARG A 72 -1.384 -6.680 -3.696 1.00 72.43 O ATOM 1178 CB ARG A 72 0.302 -9.410 -4.680 1.00 20.22 C ATOM 1179 CG ARG A 72 1.396 -8.368 -4.927 1.00 24.51 C ATOM 1180 CD ARG A 72 2.412 -8.796 -5.989 1.00 4.10 C ATOM 1181 NE ARG A 72 3.674 -8.056 -5.815 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.843 -8.367 -6.380 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.901 -9.197 -7.413 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.968 -7.845 -5.920 1.00 74.24 N ATOM 0 H ARG A 72 -1.309 -10.970 -3.461 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.065 -8.623 -2.753 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.761 -10.356 -4.393 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.244 -9.588 -5.607 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.932 -7.431 -5.235 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.920 -8.172 -3.991 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.597 -9.868 -5.914 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.008 -8.611 -6.984 1.00 4.10 H new ATOM 0 HE ARG A 72 3.653 -7.235 -5.210 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.045 -9.607 -7.786 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.802 -9.425 -7.834 1.00 54.04 H new ATOM 0 HH21 ARG A 72 5.946 -7.201 -5.129 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.858 -8.087 -6.356 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.553 -8.171 -4.924 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.527 -7.229 -5.453 1.00 2.53 C ATOM 1200 C LYS A 73 -4.526 -6.837 -4.364 1.00 1.23 C ATOM 1201 O LYS A 73 -4.744 -5.651 -4.164 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.224 -7.838 -6.680 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.281 -7.964 -7.896 1.00 63.11 C ATOM 1204 CD LYS A 73 -4.007 -8.686 -9.037 1.00 42.23 C ATOM 1205 CE LYS A 73 -3.232 -8.722 -10.365 1.00 22.32 C ATOM 1206 NZ LYS A 73 -3.906 -9.593 -11.356 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.682 -9.123 -5.268 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.021 -6.318 -5.774 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.611 -8.824 -6.421 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.080 -7.220 -6.951 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -2.960 -6.975 -8.224 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -2.383 -8.515 -7.617 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -4.218 -9.709 -8.726 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -4.968 -8.199 -9.205 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -3.144 -7.712 -10.765 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -2.219 -9.084 -10.188 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -3.361 -9.598 -12.242 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -3.968 -10.561 -10.982 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -4.864 -9.232 -11.541 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.140 -7.781 -3.649 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.285 -7.512 -2.771 1.00 31.13 C ATOM 1222 C ASN A 74 -5.978 -6.491 -1.669 1.00 50.53 C ATOM 1223 O ASN A 74 -6.843 -5.668 -1.346 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.821 -8.811 -2.148 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.610 -9.700 -3.103 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -7.855 -9.363 -4.257 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -8.049 -10.851 -2.626 1.00 4.44 N ATOM 0 H ASN A 74 -4.857 -8.761 -3.661 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.051 -7.072 -3.409 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.981 -9.382 -1.753 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.458 -8.555 -1.302 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.599 -11.472 -3.219 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.838 -11.118 -1.665 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.772 -6.514 -1.085 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.379 -5.497 -0.102 1.00 4.53 C ATOM 1236 C LEU A 75 -4.236 -4.128 -0.772 1.00 24.52 C ATOM 1237 O LEU A 75 -4.755 -3.131 -0.266 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.103 -5.896 0.652 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.246 -7.112 1.595 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -1.990 -7.240 2.462 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -4.461 -7.036 2.532 1.00 54.21 C ATOM 0 H LEU A 75 -4.059 -7.218 -1.274 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.172 -5.426 0.642 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.322 -6.113 -0.077 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.764 -5.041 1.237 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.386 -7.976 0.945 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -2.092 -8.098 3.126 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -1.119 -7.379 1.822 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -1.864 -6.335 3.056 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -4.491 -7.925 3.161 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -4.381 -6.149 3.161 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -5.374 -6.979 1.940 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.583 -4.081 -1.933 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.468 -2.865 -2.720 1.00 2.42 C ATOM 1255 C TRP A 76 -4.841 -2.296 -3.093 1.00 30.11 C ATOM 1256 O TRP A 76 -5.007 -1.080 -3.042 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.610 -3.127 -3.965 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.126 -2.989 -3.789 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.208 -3.845 -4.283 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.362 -1.916 -3.157 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.057 -3.423 -3.931 1.00 61.30 N ATOM 1262 CE2 TRP A 76 1.026 -2.227 -3.257 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.696 -0.671 -2.583 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 2.030 -1.378 -2.774 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.305 0.229 -2.177 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.659 -0.135 -2.240 1.00 33.11 C ATOM 0 H TRP A 76 -3.120 -4.889 -2.350 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.974 -2.109 -2.110 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.820 -4.136 -4.320 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.927 -2.441 -4.750 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.430 -4.727 -4.866 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.912 -3.937 -4.145 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.735 -0.406 -2.454 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.068 -1.674 -2.812 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 0.030 1.208 -1.814 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.417 0.543 -1.877 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.806 -3.153 -3.443 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.181 -2.788 -3.767 1.00 32.02 C ATOM 1279 C ILE A 77 -7.789 -2.095 -2.554 1.00 35.11 C ATOM 1280 O ILE A 77 -8.284 -0.977 -2.683 1.00 41.01 O ATOM 1281 CB ILE A 77 -7.980 -4.031 -4.239 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.454 -4.427 -5.632 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.496 -3.775 -4.303 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.945 -5.781 -6.158 1.00 32.44 C ATOM 0 H ILE A 77 -5.640 -4.157 -3.510 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.214 -2.089 -4.603 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.835 -4.833 -3.515 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.742 -3.653 -6.344 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.365 -4.442 -5.600 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.004 -4.679 -4.639 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.861 -3.501 -3.313 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.699 -2.964 -5.002 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.518 -5.965 -7.144 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.634 -6.571 -5.475 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.033 -5.771 -6.230 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.719 -2.738 -1.385 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.240 -2.178 -0.141 1.00 71.52 C ATOM 1298 C PHE A 78 -7.702 -0.765 0.103 1.00 63.24 C ATOM 1299 O PHE A 78 -8.496 0.136 0.373 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.951 -3.121 1.038 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.347 -2.573 2.401 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.697 -2.529 2.792 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.356 -2.164 3.314 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.054 -2.075 4.072 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.715 -1.687 4.587 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.065 -1.644 4.969 1.00 25.55 C ATOM 0 H PHE A 78 -7.299 -3.661 -1.277 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.323 -2.088 -0.231 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.478 -4.061 0.872 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.886 -3.351 1.049 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.465 -2.847 2.103 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.314 -2.217 3.035 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.093 -2.058 4.367 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -6.950 -1.353 5.273 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.341 -1.281 5.948 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.385 -0.558 -0.008 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.802 0.764 0.223 1.00 72.11 C ATOM 1318 C VAL A 79 -6.308 1.766 -0.822 1.00 63.14 C ATOM 1319 O VAL A 79 -6.680 2.876 -0.442 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.264 0.688 0.277 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.611 2.066 0.481 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.825 -0.208 1.442 1.00 22.13 C ATOM 0 H VAL A 79 -5.710 -1.282 -0.254 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.129 1.127 1.197 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.942 0.284 -0.683 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.527 1.954 0.512 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.885 2.724 -0.344 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.958 2.498 1.420 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.737 -0.257 1.473 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.197 0.206 2.379 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.229 -1.211 1.302 1.00 22.13 H new ATOM 1332 N SER A 80 -6.364 1.382 -2.103 1.00 34.12 N ATOM 1333 CA SER A 80 -6.752 2.270 -3.206 1.00 61.41 C ATOM 1334 C SER A 80 -8.184 2.818 -3.136 1.00 21.53 C ATOM 1335 O SER A 80 -8.587 3.561 -4.028 1.00 43.34 O ATOM 1336 CB SER A 80 -6.504 1.589 -4.557 1.00 54.34 C ATOM 1337 OG SER A 80 -7.244 0.399 -4.765 1.00 43.03 O ATOM 0 H SER A 80 -6.138 0.435 -2.406 1.00 34.12 H new ATOM 0 HA SER A 80 -6.111 3.145 -3.099 1.00 61.41 H new ATOM 0 HB2 SER A 80 -6.744 2.294 -5.353 1.00 54.34 H new ATOM 0 HB3 SER A 80 -5.442 1.360 -4.643 1.00 54.34 H new ATOM 0 HG SER A 80 -7.538 0.042 -3.901 1.00 43.03 H new ATOM 1343 N LYS A 81 -8.966 2.430 -2.125 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.311 2.966 -1.918 1.00 53.15 C ATOM 1345 C LYS A 81 -10.362 3.913 -0.732 1.00 44.31 C ATOM 1346 O LYS A 81 -11.273 4.739 -0.647 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.285 1.806 -1.727 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.394 0.932 -2.987 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.625 -0.513 -2.563 1.00 70.23 C ATOM 1350 CE LYS A 81 -11.942 -1.419 -3.755 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.342 -1.262 -4.193 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.685 1.738 -1.430 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.596 3.544 -2.797 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.958 1.193 -0.887 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.270 2.198 -1.471 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.215 1.277 -3.616 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -10.483 1.010 -3.581 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.738 -0.886 -2.050 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -12.447 -0.554 -1.848 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.272 -1.183 -4.582 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -11.759 -2.458 -3.483 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.525 -1.889 -5.002 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.980 -1.511 -3.411 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.509 -0.275 -4.475 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.432 3.794 0.215 1.00 71.53 N ATOM 1366 CA PHE A 82 -9.154 4.870 1.156 1.00 3.11 C ATOM 1367 C PHE A 82 -8.574 6.067 0.427 1.00 61.04 C ATOM 1368 O PHE A 82 -9.191 7.132 0.449 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.253 4.392 2.298 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.081 3.658 3.320 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.718 4.383 4.343 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.364 2.296 3.132 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -10.654 3.746 5.172 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -10.318 1.665 3.941 1.00 11.10 C ATOM 1375 CZ PHE A 82 -10.967 2.392 4.956 1.00 61.24 C ATOM 0 H PHE A 82 -8.859 2.960 0.348 1.00 71.53 H new ATOM 0 HA PHE A 82 -10.092 5.185 1.614 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.472 3.738 1.910 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.754 5.243 2.762 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.487 5.428 4.490 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -8.848 1.736 2.366 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -11.132 4.293 5.972 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -10.555 0.623 3.786 1.00 11.10 H new ATOM 0 HZ PHE A 82 -11.710 1.908 5.573 1.00 61.24 H new ATOM 1385 N THR A 83 -7.396 5.897 -0.165 1.00 61.12 N ATOM 1386 CA THR A 83 -6.730 6.987 -0.848 1.00 12.22 C ATOM 1387 C THR A 83 -7.340 7.133 -2.238 1.00 51.24 C ATOM 1388 O THR A 83 -7.985 6.213 -2.740 1.00 21.11 O ATOM 1389 CB THR A 83 -5.214 6.741 -0.822 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.506 7.910 -1.168 1.00 14.11 O ATOM 1391 CG2 THR A 83 -4.741 5.597 -1.722 1.00 21.44 C ATOM 0 H THR A 83 -6.888 5.013 -0.182 1.00 61.12 H new ATOM 0 HA THR A 83 -6.879 7.946 -0.351 1.00 12.22 H new ATOM 0 HB THR A 83 -5.002 6.449 0.206 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.719 8.623 -0.530 1.00 14.11 H new ATOM 0 HG21 THR A 83 -3.659 5.494 -1.641 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.218 4.668 -1.410 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.009 5.813 -2.756 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.108 8.276 -2.877 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.654 8.560 -4.197 1.00 74.01 C ATOM 1401 C GLU A 84 -6.760 8.012 -5.316 1.00 43.32 C ATOM 1402 O GLU A 84 -7.084 8.177 -6.492 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.902 10.070 -4.342 1.00 14.25 C ATOM 1404 CG GLU A 84 -8.851 10.596 -3.249 1.00 22.52 C ATOM 1405 CD GLU A 84 -9.995 11.423 -3.827 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -10.941 10.818 -4.385 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -9.972 12.669 -3.680 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.537 9.029 -2.494 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.609 8.044 -4.296 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -6.952 10.602 -4.287 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -8.327 10.277 -5.324 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -9.260 9.754 -2.690 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -8.286 11.204 -2.542 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.642 7.370 -4.974 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.745 6.725 -5.914 1.00 60.43 C ATOM 1416 C PHE A 85 -5.197 5.290 -6.162 1.00 31.05 C ATOM 1417 O PHE A 85 -5.116 4.450 -5.264 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.311 6.761 -5.367 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.753 8.158 -5.180 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -2.762 9.064 -6.260 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.264 8.566 -3.923 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -2.264 10.367 -6.086 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -1.756 9.867 -3.754 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.752 10.764 -4.838 1.00 71.12 C ATOM 0 H PHE A 85 -5.333 7.286 -4.006 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.767 7.259 -6.864 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.286 6.241 -4.410 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.661 6.210 -6.046 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.151 8.757 -7.220 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -2.279 7.880 -3.089 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -2.275 11.064 -6.911 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -1.370 10.177 -2.794 1.00 70.20 H new ATOM 0 HZ PHE A 85 -1.355 11.760 -4.711 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.621 5.019 -7.397 1.00 63.21 N ATOM 1435 CA ASP A 86 -6.016 3.685 -7.844 1.00 42.44 C ATOM 1436 C ASP A 86 -4.913 2.663 -7.596 1.00 50.23 C ATOM 1437 O ASP A 86 -3.729 2.996 -7.649 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.256 3.672 -9.355 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.999 2.425 -9.835 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.593 1.682 -9.023 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -6.908 2.096 -11.038 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.700 5.730 -8.124 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.917 3.433 -7.285 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -6.827 4.557 -9.633 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.297 3.737 -9.869 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.281 1.386 -7.533 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.381 0.243 -7.362 1.00 54.34 C ATOM 1448 C ALA A 87 -3.365 0.121 -8.507 1.00 42.15 C ATOM 1449 O ALA A 87 -2.411 -0.657 -8.435 1.00 54.10 O ATOM 1450 CB ALA A 87 -5.189 -1.053 -7.249 1.00 13.05 C ATOM 0 H ALA A 87 -6.259 1.104 -7.603 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.821 0.413 -6.442 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.509 -1.896 -7.122 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.856 -0.992 -6.389 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.778 -1.195 -8.155 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.574 0.858 -9.595 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.576 1.093 -10.619 1.00 71.23 C ATOM 1458 C ARG A 88 -1.536 2.068 -10.091 1.00 35.22 C ATOM 1459 O ARG A 88 -0.390 1.670 -9.869 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.271 1.608 -11.888 1.00 33.21 C ATOM 1461 CG ARG A 88 -4.009 0.442 -12.542 1.00 42.33 C ATOM 1462 CD ARG A 88 -4.825 0.900 -13.743 1.00 12.42 C ATOM 1463 NE ARG A 88 -5.036 -0.248 -14.633 1.00 52.53 N ATOM 1464 CZ ARG A 88 -4.610 -0.357 -15.896 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -3.962 0.638 -16.504 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -4.807 -1.498 -16.544 1.00 13.42 N ATOM 0 H ARG A 88 -4.465 1.316 -9.788 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.058 0.170 -10.877 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.969 2.407 -11.640 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -2.539 2.028 -12.578 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.290 -0.314 -12.857 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -4.667 -0.029 -11.812 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -5.782 1.306 -13.417 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -4.304 1.698 -14.272 1.00 12.42 H new ATOM 0 HE ARG A 88 -5.557 -1.038 -14.252 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -3.780 1.509 -16.005 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -3.648 0.528 -17.468 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -5.277 -2.274 -16.078 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -4.489 -1.599 -17.508 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.897 3.345 -9.954 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.927 4.402 -9.687 1.00 14.14 C ATOM 1482 C LYS A 89 -0.274 4.274 -8.311 1.00 2.34 C ATOM 1483 O LYS A 89 0.913 4.581 -8.194 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.559 5.774 -9.963 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.931 6.083 -9.330 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.805 6.907 -10.288 1.00 64.32 C ATOM 1487 CE LYS A 89 -3.113 8.204 -10.741 1.00 13.54 C ATOM 1488 NZ LYS A 89 -3.764 8.809 -11.917 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.861 3.671 -10.025 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.092 4.292 -10.379 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -0.857 6.538 -9.627 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.658 5.884 -11.043 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -3.438 5.151 -9.079 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -2.791 6.630 -8.398 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -4.050 6.304 -11.162 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.746 7.153 -9.797 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -3.116 8.920 -9.919 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -2.070 7.993 -10.976 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -3.261 9.680 -12.183 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -3.739 8.138 -12.711 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -4.753 9.037 -11.688 1.00 75.22 H new ATOM 1502 N LEU A 90 -1.018 3.771 -7.326 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.620 3.392 -5.975 1.00 62.33 C ATOM 1504 C LEU A 90 0.620 2.488 -5.997 1.00 70.22 C ATOM 1505 O LEU A 90 1.698 2.997 -5.681 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.886 2.863 -5.291 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.759 2.557 -3.803 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -1.516 3.812 -2.964 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -3.048 1.912 -3.292 1.00 43.35 C ATOM 0 H LEU A 90 -2.013 3.603 -7.472 1.00 2.34 H new ATOM 0 HA LEU A 90 -0.262 4.222 -5.366 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.682 3.596 -5.425 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -2.200 1.954 -5.804 1.00 42.24 H new ATOM 0 HG LEU A 90 -0.904 1.889 -3.699 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -1.433 3.536 -1.913 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -0.592 4.292 -3.287 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.349 4.503 -3.094 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -2.950 1.696 -2.228 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -3.883 2.595 -3.448 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -3.231 0.985 -3.835 1.00 43.35 H new ATOM 1521 N HIS A 91 0.562 1.202 -6.378 1.00 11.24 N ATOM 1522 CA HIS A 91 1.759 0.354 -6.251 1.00 44.30 C ATOM 1523 C HIS A 91 2.907 0.860 -7.139 1.00 65.40 C ATOM 1524 O HIS A 91 4.075 0.627 -6.824 1.00 62.10 O ATOM 1525 CB HIS A 91 1.503 -1.144 -6.509 1.00 74.21 C ATOM 1526 CG HIS A 91 1.798 -1.645 -7.903 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.831 -2.501 -8.214 1.00 12.20 N ATOM 1528 CD2 HIS A 91 1.170 -1.302 -9.070 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.839 -2.665 -9.542 1.00 30.45 C ATOM 1530 NE2 HIS A 91 1.860 -1.939 -10.115 1.00 10.32 N ATOM 0 H HIS A 91 -0.263 0.741 -6.761 1.00 11.24 H new ATOM 0 HA HIS A 91 2.051 0.438 -5.204 1.00 44.30 H new ATOM 0 HB2 HIS A 91 2.104 -1.720 -5.805 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.458 -1.356 -6.284 1.00 74.21 H new ATOM 0 HD2 HIS A 91 0.306 -0.662 -9.169 1.00 63.15 H new ATOM 0 HE1 HIS A 91 3.534 -3.293 -10.080 1.00 30.45 H new ATOM 0 HE2 HIS A 91 1.659 -1.866 -11.112 1.00 10.32 H new ATOM 1538 N LYS A 92 2.592 1.572 -8.232 1.00 0.33 N ATOM 1539 CA LYS A 92 3.588 2.205 -9.100 1.00 62.41 C ATOM 1540 C LYS A 92 4.449 3.154 -8.268 1.00 4.02 C ATOM 1541 O LYS A 92 5.677 3.039 -8.287 1.00 61.24 O ATOM 1542 CB LYS A 92 2.891 2.943 -10.266 1.00 22.30 C ATOM 1543 CG LYS A 92 3.372 2.536 -11.665 1.00 2.40 C ATOM 1544 CD LYS A 92 4.835 2.920 -11.916 1.00 24.33 C ATOM 1545 CE LYS A 92 5.241 2.844 -13.393 1.00 65.23 C ATOM 1546 NZ LYS A 92 4.504 3.802 -14.247 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.631 1.724 -8.538 1.00 0.33 H new ATOM 0 HA LYS A 92 4.235 1.445 -9.537 1.00 62.41 H new ATOM 0 HB2 LYS A 92 1.818 2.765 -10.200 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.044 4.015 -10.142 1.00 22.30 H new ATOM 0 HG2 LYS A 92 3.256 1.459 -11.787 1.00 2.40 H new ATOM 0 HG3 LYS A 92 2.741 3.011 -12.416 1.00 2.40 H new ATOM 0 HD2 LYS A 92 5.004 3.933 -11.552 1.00 24.33 H new ATOM 0 HD3 LYS A 92 5.480 2.261 -11.335 1.00 24.33 H new ATOM 0 HE2 LYS A 92 6.310 3.037 -13.480 1.00 65.23 H new ATOM 0 HE3 LYS A 92 5.068 1.832 -13.760 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 4.975 3.876 -15.171 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 3.528 3.468 -14.381 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 4.491 4.736 -13.789 1.00 43.32 H new ATOM 1560 N LEU A 93 3.812 4.063 -7.518 1.00 63.33 N ATOM 1561 CA LEU A 93 4.501 4.993 -6.626 1.00 20.11 C ATOM 1562 C LEU A 93 5.367 4.237 -5.621 1.00 43.43 C ATOM 1563 O LEU A 93 6.498 4.657 -5.373 1.00 62.13 O ATOM 1564 CB LEU A 93 3.506 5.900 -5.876 1.00 1.11 C ATOM 1565 CG LEU A 93 2.860 7.007 -6.730 1.00 52.21 C ATOM 1566 CD1 LEU A 93 1.662 7.591 -5.981 1.00 23.33 C ATOM 1567 CD2 LEU A 93 3.849 8.138 -7.035 1.00 24.41 C ATOM 0 H LEU A 93 2.798 4.171 -7.516 1.00 63.33 H new ATOM 0 HA LEU A 93 5.139 5.623 -7.246 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.715 5.277 -5.457 1.00 1.11 H new ATOM 0 HB3 LEU A 93 4.023 6.365 -5.037 1.00 1.11 H new ATOM 0 HG LEU A 93 2.547 6.560 -7.673 1.00 52.21 H new ATOM 0 HD11 LEU A 93 1.203 8.375 -6.584 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.932 6.804 -5.792 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.996 8.011 -5.032 1.00 23.33 H new ATOM 0 HD21 LEU A 93 3.356 8.899 -7.639 1.00 24.41 H new ATOM 0 HD22 LEU A 93 4.193 8.582 -6.101 1.00 24.41 H new ATOM 0 HD23 LEU A 93 4.702 7.737 -7.582 1.00 24.41 H new ATOM 1579 N TYR A 94 4.863 3.141 -5.042 1.00 62.42 N ATOM 1580 CA TYR A 94 5.617 2.357 -4.072 1.00 42.52 C ATOM 1581 C TYR A 94 6.875 1.752 -4.698 1.00 73.20 C ATOM 1582 O TYR A 94 7.961 1.922 -4.141 1.00 63.02 O ATOM 1583 CB TYR A 94 4.734 1.278 -3.434 1.00 5.32 C ATOM 1584 CG TYR A 94 5.484 0.432 -2.424 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.875 1.003 -1.198 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.832 -0.900 -2.720 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.686 0.275 -0.306 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.608 -1.648 -1.814 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.080 -1.044 -0.626 1.00 54.02 C ATOM 1590 OH TYR A 94 7.919 -1.698 0.216 1.00 52.45 O ATOM 0 H TYR A 94 3.929 2.780 -5.234 1.00 62.42 H new ATOM 0 HA TYR A 94 5.943 3.032 -3.280 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.884 1.753 -2.945 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.333 0.633 -4.216 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.552 2.001 -0.941 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.503 -1.349 -3.645 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.007 0.724 0.622 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.842 -2.681 -2.026 1.00 73.21 H new ATOM 0 HH TYR A 94 8.100 -2.595 -0.134 1.00 52.45 H new ATOM 1600 N LYS A 95 6.755 1.069 -5.841 1.00 41.45 N ATOM 1601 CA LYS A 95 7.887 0.437 -6.526 1.00 54.30 C ATOM 1602 C LYS A 95 8.954 1.480 -6.856 1.00 22.23 C ATOM 1603 O LYS A 95 10.134 1.269 -6.578 1.00 35.23 O ATOM 1604 CB LYS A 95 7.375 -0.315 -7.774 1.00 32.21 C ATOM 1605 CG LYS A 95 8.446 -1.216 -8.420 1.00 61.25 C ATOM 1606 CD LYS A 95 7.855 -2.205 -9.444 1.00 54.15 C ATOM 1607 CE LYS A 95 7.777 -1.699 -10.891 1.00 22.41 C ATOM 1608 NZ LYS A 95 8.981 -2.021 -11.694 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.864 0.938 -6.320 1.00 41.45 H new ATOM 0 HA LYS A 95 8.361 -0.297 -5.874 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.516 -0.925 -7.496 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.027 0.410 -8.510 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.191 -0.591 -8.913 1.00 61.25 H new ATOM 0 HG3 LYS A 95 8.964 -1.774 -7.640 1.00 61.25 H new ATOM 0 HD2 LYS A 95 8.454 -3.116 -9.429 1.00 54.15 H new ATOM 0 HD3 LYS A 95 6.851 -2.478 -9.120 1.00 54.15 H new ATOM 0 HE2 LYS A 95 6.901 -2.133 -11.373 1.00 22.41 H new ATOM 0 HE3 LYS A 95 7.633 -0.619 -10.883 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 8.864 -1.652 -12.659 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 9.817 -1.585 -11.256 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 9.108 -3.053 -11.731 1.00 12.11 H new ATOM 1622 N HIS A 96 8.529 2.621 -7.401 1.00 2.14 N ATOM 1623 CA HIS A 96 9.400 3.757 -7.653 1.00 2.00 C ATOM 1624 C HIS A 96 10.095 4.217 -6.371 1.00 64.43 C ATOM 1625 O HIS A 96 11.306 4.414 -6.383 1.00 42.32 O ATOM 1626 CB HIS A 96 8.598 4.909 -8.269 1.00 24.51 C ATOM 1627 CG HIS A 96 8.573 4.892 -9.777 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.324 5.709 -10.588 1.00 42.35 N ATOM 1629 CD2 HIS A 96 7.825 4.074 -10.578 1.00 62.44 C ATOM 1630 CE1 HIS A 96 9.038 5.384 -11.859 1.00 43.34 C ATOM 1631 NE2 HIS A 96 8.091 4.425 -11.908 1.00 62.31 N ATOM 0 H HIS A 96 7.561 2.778 -7.680 1.00 2.14 H new ATOM 0 HA HIS A 96 10.171 3.444 -8.357 1.00 2.00 H new ATOM 0 HB2 HIS A 96 7.574 4.867 -7.897 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.021 5.855 -7.932 1.00 24.51 H new ATOM 0 HD1 HIS A 96 9.978 6.429 -10.281 1.00 42.35 H new ATOM 0 HD2 HIS A 96 7.151 3.298 -10.246 1.00 62.44 H new ATOM 0 HE1 HIS A 96 9.504 5.830 -12.725 1.00 43.34 H new ATOM 1639 N ALA A 97 9.357 4.419 -5.274 1.00 74.32 N ATOM 1640 CA ALA A 97 9.901 4.959 -4.035 1.00 62.11 C ATOM 1641 C ALA A 97 11.012 4.061 -3.485 1.00 21.45 C ATOM 1642 O ALA A 97 12.115 4.566 -3.275 1.00 62.01 O ATOM 1643 CB ALA A 97 8.783 5.209 -3.016 1.00 12.11 C ATOM 0 H ALA A 97 8.360 4.209 -5.226 1.00 74.32 H new ATOM 0 HA ALA A 97 10.359 5.925 -4.246 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.211 5.612 -2.098 1.00 12.11 H new ATOM 0 HB2 ALA A 97 8.069 5.922 -3.427 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.274 4.271 -2.797 1.00 12.11 H new ATOM 1649 N ILE A 98 10.753 2.761 -3.288 1.00 4.01 N ATOM 1650 CA ILE A 98 11.770 1.828 -2.799 1.00 65.43 C ATOM 1651 C ILE A 98 12.967 1.827 -3.740 1.00 70.52 C ATOM 1652 O ILE A 98 14.085 2.002 -3.271 1.00 31.14 O ATOM 1653 CB ILE A 98 11.214 0.410 -2.506 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.267 -0.440 -1.765 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.654 -0.337 -3.727 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.663 -1.637 -1.021 1.00 25.45 C ATOM 0 H ILE A 98 9.843 2.333 -3.461 1.00 4.01 H new ATOM 0 HA ILE A 98 12.110 2.182 -1.826 1.00 65.43 H new ATOM 0 HB ILE A 98 10.348 0.567 -1.862 1.00 34.23 H new ATOM 0 HG12 ILE A 98 13.004 -0.801 -2.483 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.798 0.191 -1.053 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.290 -1.317 -3.419 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.833 0.235 -4.159 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.441 -0.460 -4.471 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.456 -2.193 -0.521 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.947 -1.281 -0.280 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.156 -2.289 -1.732 1.00 25.45 H new ATOM 1668 N LYS A 99 12.747 1.699 -5.055 1.00 65.44 N ATOM 1669 CA LYS A 99 13.838 1.660 -6.029 1.00 2.32 C ATOM 1670 C LYS A 99 14.700 2.920 -5.977 1.00 44.52 C ATOM 1671 O LYS A 99 15.922 2.844 -6.042 1.00 12.43 O ATOM 1672 CB LYS A 99 13.252 1.426 -7.423 1.00 70.12 C ATOM 1673 CG LYS A 99 14.341 1.473 -8.506 1.00 70.31 C ATOM 1674 CD LYS A 99 13.920 0.705 -9.755 1.00 52.12 C ATOM 1675 CE LYS A 99 14.042 -0.793 -9.475 1.00 11.33 C ATOM 1676 NZ LYS A 99 13.750 -1.615 -10.658 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.817 1.621 -5.467 1.00 65.44 H new ATOM 0 HA LYS A 99 14.505 0.835 -5.779 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.751 0.458 -7.451 1.00 70.12 H new ATOM 0 HB3 LYS A 99 12.496 2.182 -7.633 1.00 70.12 H new ATOM 0 HG2 LYS A 99 14.550 2.510 -8.768 1.00 70.31 H new ATOM 0 HG3 LYS A 99 15.266 1.051 -8.112 1.00 70.31 H new ATOM 0 HD2 LYS A 99 12.894 0.956 -10.025 1.00 52.12 H new ATOM 0 HD3 LYS A 99 14.550 0.984 -10.600 1.00 52.12 H new ATOM 0 HE2 LYS A 99 15.051 -1.012 -9.125 1.00 11.33 H new ATOM 0 HE3 LYS A 99 13.359 -1.065 -8.670 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 13.847 -2.621 -10.414 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 12.779 -1.429 -10.979 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 14.418 -1.377 -11.419 1.00 60.11 H new ATOM 1690 N LYS A 100 14.080 4.093 -5.865 1.00 42.13 N ATOM 1691 CA LYS A 100 14.802 5.344 -5.694 1.00 4.50 C ATOM 1692 C LYS A 100 15.656 5.275 -4.424 1.00 64.53 C ATOM 1693 O LYS A 100 16.828 5.653 -4.447 1.00 65.31 O ATOM 1694 CB LYS A 100 13.780 6.496 -5.733 1.00 23.44 C ATOM 1695 CG LYS A 100 14.366 7.863 -5.368 1.00 42.32 C ATOM 1696 CD LYS A 100 14.325 8.154 -3.852 1.00 74.15 C ATOM 1697 CE LYS A 100 13.295 9.235 -3.522 1.00 14.21 C ATOM 1698 NZ LYS A 100 13.798 10.580 -3.846 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.066 4.199 -5.891 1.00 42.13 H new ATOM 0 HA LYS A 100 15.511 5.529 -6.501 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.350 6.552 -6.733 1.00 23.44 H new ATOM 0 HB3 LYS A 100 12.964 6.267 -5.047 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.398 7.913 -5.714 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.815 8.641 -5.896 1.00 42.32 H new ATOM 0 HD2 LYS A 100 14.082 7.240 -3.310 1.00 74.15 H new ATOM 0 HD3 LYS A 100 15.311 8.473 -3.514 1.00 74.15 H new ATOM 0 HE2 LYS A 100 12.377 9.046 -4.078 1.00 14.21 H new ATOM 0 HE3 LYS A 100 13.042 9.186 -2.463 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 13.074 11.288 -3.609 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 14.660 10.770 -3.296 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 14.016 10.634 -4.861 1.00 55.41 H new ATOM 1712 N ARG A 101 15.074 4.815 -3.314 1.00 13.00 N ATOM 1713 CA ARG A 101 15.705 4.826 -1.998 1.00 21.24 C ATOM 1714 C ARG A 101 16.831 3.797 -1.887 1.00 32.44 C ATOM 1715 O ARG A 101 17.793 4.042 -1.160 1.00 41.23 O ATOM 1716 CB ARG A 101 14.612 4.567 -0.950 1.00 43.10 C ATOM 1717 CG ARG A 101 14.995 4.989 0.476 1.00 13.42 C ATOM 1718 CD ARG A 101 15.096 6.514 0.549 1.00 31.55 C ATOM 1719 NE ARG A 101 15.013 7.002 1.934 1.00 14.22 N ATOM 1720 CZ ARG A 101 16.029 7.347 2.734 1.00 32.10 C ATOM 1721 NH1 ARG A 101 17.284 7.321 2.308 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 15.798 7.729 3.982 1.00 74.22 N ATOM 0 H ARG A 101 14.134 4.418 -3.308 1.00 13.00 H new ATOM 0 HA ARG A 101 16.171 5.797 -1.830 1.00 21.24 H new ATOM 0 HB2 ARG A 101 13.708 5.100 -1.244 1.00 43.10 H new ATOM 0 HB3 ARG A 101 14.369 3.504 -0.950 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.250 4.629 1.185 1.00 13.42 H new ATOM 0 HG3 ARG A 101 15.946 4.537 0.757 1.00 13.42 H new ATOM 0 HD2 ARG A 101 16.038 6.837 0.106 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.296 6.960 -0.042 1.00 31.55 H new ATOM 0 HE ARG A 101 14.076 7.087 2.329 1.00 14.22 H new ATOM 0 HH11 ARG A 101 17.492 7.034 1.352 1.00 32.33 H new ATOM 0 HH12 ARG A 101 18.042 7.588 2.936 1.00 32.33 H new ATOM 0 HH21 ARG A 101 14.842 7.761 4.337 1.00 74.22 H new ATOM 0 HH22 ARG A 101 16.576 7.991 4.587 1.00 74.22 H new