USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 17 THR OG1 : rot 150:sc= -2.85 USER MOD Set 1.2: A 22 THR OG1 : rot -50:sc= -3.68! USER MOD Set 1.3: A 56 MET CE :methyl -164:sc= -1.65 (180deg=-2.01!) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.178 (180deg=-0.792) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 110:sc= -2.25! USER MOD Single : A 9 THR OG1 : rot -38:sc= 0.45 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc=-0.00136 (180deg=-0.092) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 18:sc= 0.416 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.177 (180deg=-1.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.026) USER MOD Single : A 41 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.72) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -48:sc= 0.911 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.064) USER MOD Single : A 62 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00362) USER MOD Single : A 65 SER OG : rot -60:sc= -1.54 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.014) USER MOD Single : A 69 MET CE :methyl 149:sc= -2.2 (180deg=-4.43!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.468 -0.689 0.378 1.00 3.24 N ATOM 2 CA MET A 1 2.348 -0.582 -0.780 1.00 2.24 C ATOM 3 C MET A 1 3.124 -1.878 -0.995 1.00 12.53 C ATOM 4 O MET A 1 4.354 -1.874 -1.041 1.00 74.03 O ATOM 5 CB MET A 1 3.321 0.585 -0.601 1.00 43.24 C ATOM 6 CG MET A 1 4.007 1.007 -1.891 1.00 21.12 C ATOM 7 SD MET A 1 4.803 2.620 -1.759 1.00 33.40 S ATOM 8 CE MET A 1 3.376 3.687 -1.581 1.00 51.51 C ATOM 0 H1 MET A 1 0.951 0.204 0.505 1.00 3.24 H new ATOM 0 H2 MET A 1 0.790 -1.464 0.229 1.00 3.24 H new ATOM 0 H3 MET A 1 2.035 -0.884 1.228 1.00 3.24 H new ATOM 0 HA MET A 1 1.730 -0.399 -1.659 1.00 2.24 H new ATOM 0 HB2 MET A 1 2.781 1.438 -0.190 1.00 43.24 H new ATOM 0 HB3 MET A 1 4.080 0.306 0.130 1.00 43.24 H new ATOM 0 HG2 MET A 1 4.752 0.260 -2.163 1.00 21.12 H new ATOM 0 HG3 MET A 1 3.273 1.033 -2.697 1.00 21.12 H new ATOM 0 HE1 MET A 1 3.627 4.691 -1.925 1.00 51.51 H new ATOM 0 HE2 MET A 1 2.552 3.295 -2.177 1.00 51.51 H new ATOM 0 HE3 MET A 1 3.079 3.726 -0.533 1.00 51.51 H new ATOM 18 N GLN A 2 2.397 -2.983 -1.125 1.00 11.44 N ATOM 19 CA GLN A 2 3.018 -4.285 -1.334 1.00 23.05 C ATOM 20 C GLN A 2 2.818 -4.760 -2.769 1.00 13.21 C ATOM 21 O GLN A 2 1.814 -4.438 -3.405 1.00 14.33 O ATOM 22 CB GLN A 2 2.440 -5.312 -0.359 1.00 12.05 C ATOM 23 CG GLN A 2 1.042 -5.781 -0.728 1.00 32.23 C ATOM 24 CD GLN A 2 0.211 -6.152 0.485 1.00 24.31 C ATOM 25 OE1 GLN A 2 -0.736 -5.451 0.841 1.00 32.21 O ATOM 26 NE2 GLN A 2 0.563 -7.260 1.127 1.00 3.14 N ATOM 0 H GLN A 2 1.378 -3.002 -1.089 1.00 11.44 H new ATOM 0 HA GLN A 2 4.088 -4.182 -1.151 1.00 23.05 H new ATOM 0 HB2 GLN A 2 3.105 -6.175 -0.317 1.00 12.05 H new ATOM 0 HB3 GLN A 2 2.417 -4.879 0.641 1.00 12.05 H new ATOM 0 HG2 GLN A 2 0.534 -4.993 -1.285 1.00 32.23 H new ATOM 0 HG3 GLN A 2 1.115 -6.643 -1.391 1.00 32.23 H new ATOM 0 HE21 GLN A 2 1.355 -7.811 0.797 1.00 3.14 H new ATOM 0 HE22 GLN A 2 0.041 -7.560 1.950 1.00 3.14 H new ATOM 35 N ILE A 3 3.779 -5.526 -3.273 1.00 71.30 N ATOM 36 CA ILE A 3 3.707 -6.046 -4.633 1.00 52.40 C ATOM 37 C ILE A 3 3.522 -7.559 -4.634 1.00 62.34 C ATOM 38 O ILE A 3 3.635 -8.210 -3.595 1.00 72.24 O ATOM 39 CB ILE A 3 4.972 -5.693 -5.438 1.00 33.30 C ATOM 40 CG1 ILE A 3 6.192 -6.403 -4.848 1.00 41.02 C ATOM 41 CG2 ILE A 3 5.185 -4.187 -5.456 1.00 64.12 C ATOM 42 CD1 ILE A 3 7.465 -6.168 -5.631 1.00 51.40 C ATOM 0 H ILE A 3 4.617 -5.801 -2.760 1.00 71.30 H new ATOM 0 HA ILE A 3 2.844 -5.577 -5.105 1.00 52.40 H new ATOM 0 HB ILE A 3 4.839 -6.033 -6.465 1.00 33.30 H new ATOM 0 HG12 ILE A 3 6.338 -6.065 -3.822 1.00 41.02 H new ATOM 0 HG13 ILE A 3 5.994 -7.474 -4.805 1.00 41.02 H new ATOM 0 HG21 ILE A 3 6.083 -3.953 -6.029 1.00 64.12 H new ATOM 0 HG22 ILE A 3 4.324 -3.703 -5.917 1.00 64.12 H new ATOM 0 HG23 ILE A 3 5.301 -3.824 -4.435 1.00 64.12 H new ATOM 0 HD11 ILE A 3 8.288 -6.701 -5.155 1.00 51.40 H new ATOM 0 HD12 ILE A 3 7.338 -6.532 -6.650 1.00 51.40 H new ATOM 0 HD13 ILE A 3 7.688 -5.101 -5.652 1.00 51.40 H new ATOM 54 N PHE A 4 3.240 -8.114 -5.808 1.00 74.33 N ATOM 55 CA PHE A 4 3.040 -9.552 -5.946 1.00 22.32 C ATOM 56 C PHE A 4 4.193 -10.190 -6.716 1.00 54.03 C ATOM 57 O PHE A 4 4.569 -9.721 -7.791 1.00 4.03 O ATOM 58 CB PHE A 4 1.716 -9.839 -6.657 1.00 30.33 C ATOM 59 CG PHE A 4 0.553 -9.992 -5.719 1.00 12.13 C ATOM 60 CD1 PHE A 4 0.360 -9.094 -4.681 1.00 40.03 C ATOM 61 CD2 PHE A 4 -0.347 -11.034 -5.874 1.00 54.31 C ATOM 62 CE1 PHE A 4 -0.709 -9.231 -3.816 1.00 75.25 C ATOM 63 CE2 PHE A 4 -1.419 -11.176 -5.013 1.00 1.22 C ATOM 64 CZ PHE A 4 -1.599 -10.274 -3.982 1.00 35.20 C ATOM 0 H PHE A 4 3.145 -7.590 -6.678 1.00 74.33 H new ATOM 0 HA PHE A 4 3.009 -9.987 -4.947 1.00 22.32 H new ATOM 0 HB2 PHE A 4 1.505 -9.029 -7.356 1.00 30.33 H new ATOM 0 HB3 PHE A 4 1.819 -10.750 -7.247 1.00 30.33 H new ATOM 0 HD1 PHE A 4 1.054 -8.277 -4.547 1.00 40.03 H new ATOM 0 HD2 PHE A 4 -0.209 -11.743 -6.677 1.00 54.31 H new ATOM 0 HE1 PHE A 4 -0.848 -8.524 -3.012 1.00 75.25 H new ATOM 0 HE2 PHE A 4 -2.115 -11.991 -5.146 1.00 1.22 H new ATOM 0 HZ PHE A 4 -2.435 -10.384 -3.307 1.00 35.20 H new ATOM 74 N ILE A 5 4.748 -11.261 -6.159 1.00 52.13 N ATOM 75 CA ILE A 5 5.856 -11.963 -6.794 1.00 25.24 C ATOM 76 C ILE A 5 5.558 -13.452 -6.930 1.00 30.42 C ATOM 77 O ILE A 5 5.287 -14.136 -5.942 1.00 42.21 O ATOM 78 CB ILE A 5 7.164 -11.784 -6.000 1.00 43.32 C ATOM 79 CG1 ILE A 5 7.526 -10.300 -5.900 1.00 62.41 C ATOM 80 CG2 ILE A 5 8.293 -12.567 -6.655 1.00 15.14 C ATOM 81 CD1 ILE A 5 7.360 -9.731 -4.509 1.00 5.52 C ATOM 0 H ILE A 5 4.449 -11.661 -5.270 1.00 52.13 H new ATOM 0 HA ILE A 5 5.979 -11.527 -7.786 1.00 25.24 H new ATOM 0 HB ILE A 5 7.016 -12.172 -4.992 1.00 43.32 H new ATOM 0 HG12 ILE A 5 8.559 -10.164 -6.219 1.00 62.41 H new ATOM 0 HG13 ILE A 5 6.902 -9.735 -6.592 1.00 62.41 H new ATOM 0 HG21 ILE A 5 9.210 -12.430 -6.082 1.00 15.14 H new ATOM 0 HG22 ILE A 5 8.035 -13.626 -6.680 1.00 15.14 H new ATOM 0 HG23 ILE A 5 8.443 -12.206 -7.673 1.00 15.14 H new ATOM 0 HD11 ILE A 5 7.634 -8.676 -4.512 1.00 5.52 H new ATOM 0 HD12 ILE A 5 6.321 -9.835 -4.195 1.00 5.52 H new ATOM 0 HD13 ILE A 5 8.005 -10.271 -3.816 1.00 5.52 H new ATOM 93 N LYS A 6 5.611 -13.951 -8.160 1.00 51.44 N ATOM 94 CA LYS A 6 5.350 -15.360 -8.428 1.00 14.13 C ATOM 95 C LYS A 6 6.631 -16.085 -8.825 1.00 24.23 C ATOM 96 O LYS A 6 7.487 -15.526 -9.511 1.00 40.44 O ATOM 97 CB LYS A 6 4.305 -15.505 -9.536 1.00 53.34 C ATOM 98 CG LYS A 6 3.037 -14.707 -9.285 1.00 50.35 C ATOM 99 CD LYS A 6 1.958 -15.039 -10.303 1.00 4.11 C ATOM 100 CE LYS A 6 1.428 -16.451 -10.111 1.00 74.44 C ATOM 101 NZ LYS A 6 0.334 -16.768 -11.071 1.00 52.32 N ATOM 0 H LYS A 6 5.833 -13.399 -8.989 1.00 51.44 H new ATOM 0 HA LYS A 6 4.966 -15.812 -7.514 1.00 14.13 H new ATOM 0 HB2 LYS A 6 4.744 -15.186 -10.482 1.00 53.34 H new ATOM 0 HB3 LYS A 6 4.046 -16.558 -9.644 1.00 53.34 H new ATOM 0 HG2 LYS A 6 2.668 -14.916 -8.281 1.00 50.35 H new ATOM 0 HG3 LYS A 6 3.262 -13.641 -9.327 1.00 50.35 H new ATOM 0 HD2 LYS A 6 1.139 -14.326 -10.212 1.00 4.11 H new ATOM 0 HD3 LYS A 6 2.362 -14.934 -11.310 1.00 4.11 H new ATOM 0 HE2 LYS A 6 2.242 -17.165 -10.239 1.00 74.44 H new ATOM 0 HE3 LYS A 6 1.061 -16.566 -9.091 1.00 74.44 H new ATOM 0 HZ1 LYS A 6 -0.000 -17.739 -10.908 1.00 52.32 H new ATOM 0 HZ2 LYS A 6 -0.453 -16.103 -10.932 1.00 52.32 H new ATOM 0 HZ3 LYS A 6 0.691 -16.684 -12.044 1.00 52.32 H new ATOM 115 N THR A 7 6.758 -17.335 -8.390 1.00 31.13 N ATOM 116 CA THR A 7 7.935 -18.137 -8.700 1.00 13.11 C ATOM 117 C THR A 7 7.578 -19.309 -9.606 1.00 72.34 C ATOM 118 O THR A 7 6.432 -19.761 -9.633 1.00 0.31 O ATOM 119 CB THR A 7 8.600 -18.676 -7.420 1.00 23.51 C ATOM 120 OG1 THR A 7 9.311 -19.885 -7.710 1.00 23.25 O ATOM 121 CG2 THR A 7 7.562 -18.939 -6.340 1.00 30.44 C ATOM 0 H THR A 7 6.059 -17.814 -7.822 1.00 31.13 H new ATOM 0 HA THR A 7 8.637 -17.482 -9.217 1.00 13.11 H new ATOM 0 HB THR A 7 9.298 -17.923 -7.055 1.00 23.51 H new ATOM 0 HG1 THR A 7 10.275 -19.720 -7.651 1.00 23.25 H new ATOM 0 HG21 THR A 7 8.056 -19.319 -5.446 1.00 30.44 H new ATOM 0 HG22 THR A 7 7.042 -18.011 -6.101 1.00 30.44 H new ATOM 0 HG23 THR A 7 6.843 -19.676 -6.698 1.00 30.44 H new ATOM 129 N LEU A 8 8.565 -19.800 -10.348 1.00 0.51 N ATOM 130 CA LEU A 8 8.355 -20.922 -11.256 1.00 42.43 C ATOM 131 C LEU A 8 8.035 -22.196 -10.482 1.00 74.23 C ATOM 132 O LEU A 8 7.568 -23.182 -11.053 1.00 73.35 O ATOM 133 CB LEU A 8 9.595 -21.138 -12.126 1.00 54.33 C ATOM 134 CG LEU A 8 9.601 -22.405 -12.982 1.00 41.44 C ATOM 135 CD1 LEU A 8 8.375 -22.448 -13.881 1.00 31.11 C ATOM 136 CD2 LEU A 8 10.875 -22.482 -13.811 1.00 50.44 C ATOM 0 H LEU A 8 9.519 -19.438 -10.338 1.00 0.51 H new ATOM 0 HA LEU A 8 7.506 -20.685 -11.897 1.00 42.43 H new ATOM 0 HB2 LEU A 8 9.706 -20.277 -12.786 1.00 54.33 H new ATOM 0 HB3 LEU A 8 10.471 -21.158 -11.477 1.00 54.33 H new ATOM 0 HG LEU A 8 9.570 -23.269 -12.318 1.00 41.44 H new ATOM 0 HD11 LEU A 8 8.397 -23.357 -14.483 1.00 31.11 H new ATOM 0 HD12 LEU A 8 7.474 -22.440 -13.268 1.00 31.11 H new ATOM 0 HD13 LEU A 8 8.375 -21.578 -14.538 1.00 31.11 H new ATOM 0 HD21 LEU A 8 10.862 -23.390 -14.414 1.00 50.44 H new ATOM 0 HD22 LEU A 8 10.936 -21.613 -14.465 1.00 50.44 H new ATOM 0 HD23 LEU A 8 11.740 -22.499 -13.148 1.00 50.44 H new ATOM 148 N THR A 9 8.287 -22.169 -9.177 1.00 75.21 N ATOM 149 CA THR A 9 8.024 -23.321 -8.324 1.00 61.30 C ATOM 150 C THR A 9 6.533 -23.470 -8.044 1.00 1.43 C ATOM 151 O THR A 9 6.102 -24.438 -7.419 1.00 63.01 O ATOM 152 CB THR A 9 8.778 -23.213 -6.985 1.00 43.53 C ATOM 153 OG1 THR A 9 8.700 -24.454 -6.277 1.00 20.34 O ATOM 154 CG2 THR A 9 8.201 -22.096 -6.128 1.00 72.31 C ATOM 0 H THR A 9 8.673 -21.361 -8.688 1.00 75.21 H new ATOM 0 HA THR A 9 8.379 -24.200 -8.863 1.00 61.30 H new ATOM 0 HB THR A 9 9.822 -22.983 -7.199 1.00 43.53 H new ATOM 0 HG1 THR A 9 7.812 -24.849 -6.406 1.00 20.34 H new ATOM 0 HG21 THR A 9 8.749 -22.039 -5.188 1.00 72.31 H new ATOM 0 HG22 THR A 9 8.290 -21.148 -6.658 1.00 72.31 H new ATOM 0 HG23 THR A 9 7.150 -22.300 -5.923 1.00 72.31 H new ATOM 162 N GLY A 10 5.749 -22.503 -8.511 1.00 14.14 N ATOM 163 CA GLY A 10 4.313 -22.546 -8.300 1.00 43.32 C ATOM 164 C GLY A 10 3.911 -22.011 -6.940 1.00 75.22 C ATOM 165 O GLY A 10 2.813 -22.287 -6.456 1.00 73.51 O ATOM 0 H GLY A 10 6.082 -21.691 -9.031 1.00 14.14 H new ATOM 0 HA2 GLY A 10 3.817 -21.964 -9.077 1.00 43.32 H new ATOM 0 HA3 GLY A 10 3.965 -23.574 -8.400 1.00 43.32 H new ATOM 169 N LYS A 11 4.801 -21.245 -6.320 1.00 41.51 N ATOM 170 CA LYS A 11 4.534 -20.670 -5.007 1.00 2.30 C ATOM 171 C LYS A 11 4.257 -19.174 -5.114 1.00 55.32 C ATOM 172 O LYS A 11 4.709 -18.513 -6.050 1.00 10.33 O ATOM 173 CB LYS A 11 5.720 -20.913 -4.070 1.00 74.42 C ATOM 174 CG LYS A 11 5.401 -20.660 -2.607 1.00 53.40 C ATOM 175 CD LYS A 11 4.296 -21.577 -2.110 1.00 24.13 C ATOM 176 CE LYS A 11 4.129 -21.481 -0.601 1.00 22.11 C ATOM 177 NZ LYS A 11 5.257 -22.129 0.124 1.00 11.14 N ATOM 0 H LYS A 11 5.715 -21.007 -6.706 1.00 41.51 H new ATOM 0 HA LYS A 11 3.649 -21.158 -4.598 1.00 2.30 H new ATOM 0 HB2 LYS A 11 6.059 -21.942 -4.186 1.00 74.42 H new ATOM 0 HB3 LYS A 11 6.547 -20.269 -4.370 1.00 74.42 H new ATOM 0 HG2 LYS A 11 6.298 -20.811 -2.007 1.00 53.40 H new ATOM 0 HG3 LYS A 11 5.100 -19.621 -2.474 1.00 53.40 H new ATOM 0 HD2 LYS A 11 3.357 -21.315 -2.598 1.00 24.13 H new ATOM 0 HD3 LYS A 11 4.524 -22.606 -2.387 1.00 24.13 H new ATOM 0 HE2 LYS A 11 4.064 -20.433 -0.309 1.00 22.11 H new ATOM 0 HE3 LYS A 11 3.191 -21.952 -0.309 1.00 22.11 H new ATOM 0 HZ1 LYS A 11 5.014 -22.224 1.131 1.00 11.14 H new ATOM 0 HZ2 LYS A 11 5.434 -23.071 -0.280 1.00 11.14 H new ATOM 0 HZ3 LYS A 11 6.112 -21.545 0.028 1.00 11.14 H new ATOM 191 N THR A 12 3.511 -18.644 -4.149 1.00 53.04 N ATOM 192 CA THR A 12 3.173 -17.226 -4.135 1.00 64.24 C ATOM 193 C THR A 12 3.989 -16.477 -3.088 1.00 32.45 C ATOM 194 O THR A 12 4.073 -16.901 -1.934 1.00 44.13 O ATOM 195 CB THR A 12 1.675 -17.008 -3.855 1.00 75.21 C ATOM 196 OG1 THR A 12 0.889 -17.644 -4.869 1.00 71.15 O ATOM 197 CG2 THR A 12 1.343 -15.524 -3.806 1.00 25.20 C ATOM 0 H THR A 12 3.129 -19.176 -3.367 1.00 53.04 H new ATOM 0 HA THR A 12 3.410 -16.835 -5.124 1.00 64.24 H new ATOM 0 HB THR A 12 1.442 -17.448 -2.885 1.00 75.21 H new ATOM 0 HG1 THR A 12 -0.063 -17.502 -4.682 1.00 71.15 H new ATOM 0 HG21 THR A 12 0.279 -15.396 -3.607 1.00 25.20 H new ATOM 0 HG22 THR A 12 1.921 -15.048 -3.014 1.00 25.20 H new ATOM 0 HG23 THR A 12 1.591 -15.064 -4.762 1.00 25.20 H new ATOM 205 N ILE A 13 4.587 -15.363 -3.495 1.00 54.02 N ATOM 206 CA ILE A 13 5.394 -14.555 -2.590 1.00 11.40 C ATOM 207 C ILE A 13 4.989 -13.086 -2.656 1.00 2.24 C ATOM 208 O ILE A 13 5.126 -12.438 -3.694 1.00 5.33 O ATOM 209 CB ILE A 13 6.895 -14.677 -2.913 1.00 12.13 C ATOM 210 CG1 ILE A 13 7.287 -16.148 -3.069 1.00 1.43 C ATOM 211 CG2 ILE A 13 7.726 -14.014 -1.825 1.00 3.22 C ATOM 212 CD1 ILE A 13 8.746 -16.351 -3.413 1.00 51.44 C ATOM 0 H ILE A 13 4.528 -14.999 -4.446 1.00 54.02 H new ATOM 0 HA ILE A 13 5.215 -14.934 -1.584 1.00 11.40 H new ATOM 0 HB ILE A 13 7.092 -14.166 -3.855 1.00 12.13 H new ATOM 0 HG12 ILE A 13 7.064 -16.675 -2.142 1.00 1.43 H new ATOM 0 HG13 ILE A 13 6.672 -16.599 -3.848 1.00 1.43 H new ATOM 0 HG21 ILE A 13 8.785 -14.108 -2.067 1.00 3.22 H new ATOM 0 HG22 ILE A 13 7.462 -12.959 -1.758 1.00 3.22 H new ATOM 0 HG23 ILE A 13 7.528 -14.499 -0.869 1.00 3.22 H new ATOM 0 HD11 ILE A 13 8.952 -17.417 -3.508 1.00 51.44 H new ATOM 0 HD12 ILE A 13 8.970 -15.852 -4.356 1.00 51.44 H new ATOM 0 HD13 ILE A 13 9.368 -15.930 -2.623 1.00 51.44 H new ATOM 224 N THR A 14 4.491 -12.564 -1.539 1.00 32.42 N ATOM 225 CA THR A 14 4.067 -11.172 -1.468 1.00 54.14 C ATOM 226 C THR A 14 4.538 -10.518 -0.174 1.00 71.34 C ATOM 227 O THR A 14 4.297 -11.035 0.916 1.00 10.33 O ATOM 228 CB THR A 14 2.535 -11.046 -1.566 1.00 15.44 C ATOM 229 OG1 THR A 14 1.925 -11.554 -0.374 1.00 75.01 O ATOM 230 CG2 THR A 14 2.005 -11.802 -2.775 1.00 11.42 C ATOM 0 H THR A 14 4.372 -13.086 -0.671 1.00 32.42 H new ATOM 0 HA THR A 14 4.521 -10.660 -2.316 1.00 54.14 H new ATOM 0 HB THR A 14 2.286 -9.991 -1.680 1.00 15.44 H new ATOM 0 HG1 THR A 14 2.593 -11.601 0.341 1.00 75.01 H new ATOM 0 HG21 THR A 14 0.921 -11.698 -2.823 1.00 11.42 H new ATOM 0 HG22 THR A 14 2.449 -11.394 -3.683 1.00 11.42 H new ATOM 0 HG23 THR A 14 2.265 -12.857 -2.687 1.00 11.42 H new ATOM 238 N ALA A 15 5.210 -9.379 -0.303 1.00 22.20 N ATOM 239 CA ALA A 15 5.713 -8.654 0.857 1.00 13.41 C ATOM 240 C ALA A 15 6.036 -7.206 0.502 1.00 74.32 C ATOM 241 O ALA A 15 6.084 -6.842 -0.673 1.00 34.43 O ATOM 242 CB ALA A 15 6.944 -9.348 1.421 1.00 14.22 C ATOM 0 H ALA A 15 5.419 -8.939 -1.199 1.00 22.20 H new ATOM 0 HA ALA A 15 4.932 -8.649 1.617 1.00 13.41 H new ATOM 0 HB1 ALA A 15 7.309 -8.795 2.287 1.00 14.22 H new ATOM 0 HB2 ALA A 15 6.684 -10.363 1.722 1.00 14.22 H new ATOM 0 HB3 ALA A 15 7.723 -9.384 0.659 1.00 14.22 H new ATOM 248 N GLU A 16 6.255 -6.386 1.524 1.00 3.53 N ATOM 249 CA GLU A 16 6.572 -4.977 1.318 1.00 31.20 C ATOM 250 C GLU A 16 8.074 -4.778 1.136 1.00 31.21 C ATOM 251 O GLU A 16 8.884 -5.466 1.759 1.00 74.33 O ATOM 252 CB GLU A 16 6.075 -4.142 2.500 1.00 41.54 C ATOM 253 CG GLU A 16 6.772 -4.466 3.810 1.00 34.44 C ATOM 254 CD GLU A 16 6.097 -3.821 5.005 1.00 34.22 C ATOM 255 OE1 GLU A 16 4.876 -3.566 4.930 1.00 23.11 O ATOM 256 OE2 GLU A 16 6.788 -3.571 6.014 1.00 31.14 O ATOM 0 H GLU A 16 6.219 -6.672 2.502 1.00 3.53 H new ATOM 0 HA GLU A 16 6.067 -4.646 0.411 1.00 31.20 H new ATOM 0 HB2 GLU A 16 6.219 -3.086 2.273 1.00 41.54 H new ATOM 0 HB3 GLU A 16 5.003 -4.299 2.620 1.00 41.54 H new ATOM 0 HG2 GLU A 16 6.792 -5.547 3.949 1.00 34.44 H new ATOM 0 HG3 GLU A 16 7.808 -4.132 3.758 1.00 34.44 H new ATOM 263 N THR A 17 8.440 -3.832 0.277 1.00 11.31 N ATOM 264 CA THR A 17 9.843 -3.542 0.011 1.00 62.42 C ATOM 265 C THR A 17 10.131 -2.051 0.139 1.00 21.04 C ATOM 266 O THR A 17 9.227 -1.255 0.389 1.00 53.24 O ATOM 267 CB THR A 17 10.257 -4.014 -1.396 1.00 71.10 C ATOM 268 OG1 THR A 17 11.683 -3.978 -1.525 1.00 55.03 O ATOM 269 CG2 THR A 17 9.623 -3.140 -2.468 1.00 22.21 C ATOM 0 H THR A 17 7.783 -3.253 -0.247 1.00 11.31 H new ATOM 0 HA THR A 17 10.424 -4.086 0.755 1.00 62.42 H new ATOM 0 HB THR A 17 9.907 -5.037 -1.530 1.00 71.10 H new ATOM 0 HG1 THR A 17 11.972 -4.674 -2.151 1.00 55.03 H new ATOM 0 HG21 THR A 17 9.930 -3.492 -3.453 1.00 22.21 H new ATOM 0 HG22 THR A 17 8.537 -3.193 -2.385 1.00 22.21 H new ATOM 0 HG23 THR A 17 9.947 -2.108 -2.335 1.00 22.21 H new ATOM 277 N GLU A 18 11.396 -1.680 -0.033 1.00 21.11 N ATOM 278 CA GLU A 18 11.802 -0.283 0.065 1.00 53.15 C ATOM 279 C GLU A 18 11.691 0.412 -1.290 1.00 33.42 C ATOM 280 O GLU A 18 12.051 -0.140 -2.330 1.00 4.32 O ATOM 281 CB GLU A 18 13.236 -0.180 0.586 1.00 24.44 C ATOM 282 CG GLU A 18 13.327 -0.058 2.098 1.00 31.02 C ATOM 283 CD GLU A 18 14.569 0.685 2.550 1.00 41.20 C ATOM 284 OE1 GLU A 18 14.728 1.863 2.165 1.00 61.42 O ATOM 285 OE2 GLU A 18 15.382 0.090 3.288 1.00 52.22 O ATOM 0 H GLU A 18 12.157 -2.327 -0.241 1.00 21.11 H new ATOM 0 HA GLU A 18 11.132 0.214 0.766 1.00 53.15 H new ATOM 0 HB2 GLU A 18 13.794 -1.060 0.267 1.00 24.44 H new ATOM 0 HB3 GLU A 18 13.718 0.685 0.130 1.00 24.44 H new ATOM 0 HG2 GLU A 18 12.443 0.459 2.471 1.00 31.02 H new ATOM 0 HG3 GLU A 18 13.323 -1.054 2.540 1.00 31.02 H new ATOM 292 N PRO A 19 11.179 1.651 -1.278 1.00 53.33 N ATOM 293 CA PRO A 19 11.008 2.448 -2.497 1.00 13.44 C ATOM 294 C PRO A 19 12.340 2.898 -3.087 1.00 12.44 C ATOM 295 O PRO A 19 12.415 3.280 -4.254 1.00 61.53 O ATOM 296 CB PRO A 19 10.199 3.657 -2.019 1.00 52.00 C ATOM 297 CG PRO A 19 10.515 3.775 -0.568 1.00 10.00 C ATOM 298 CD PRO A 19 10.728 2.370 -0.075 1.00 52.50 C ATOM 0 HA PRO A 19 10.523 1.880 -3.291 1.00 13.44 H new ATOM 0 HB2 PRO A 19 10.480 4.560 -2.560 1.00 52.00 H new ATOM 0 HB3 PRO A 19 9.131 3.508 -2.181 1.00 52.00 H new ATOM 0 HG2 PRO A 19 11.406 4.383 -0.411 1.00 10.00 H new ATOM 0 HG3 PRO A 19 9.700 4.258 -0.029 1.00 10.00 H new ATOM 0 HD2 PRO A 19 11.474 2.332 0.719 1.00 52.50 H new ATOM 0 HD3 PRO A 19 9.810 1.942 0.328 1.00 52.50 H new ATOM 306 N ALA A 20 13.389 2.851 -2.272 1.00 12.21 N ATOM 307 CA ALA A 20 14.719 3.252 -2.715 1.00 35.34 C ATOM 308 C ALA A 20 15.558 2.038 -3.097 1.00 64.14 C ATOM 309 O ALA A 20 16.469 2.137 -3.919 1.00 24.24 O ATOM 310 CB ALA A 20 15.416 4.057 -1.628 1.00 50.24 C ATOM 0 H ALA A 20 13.344 2.539 -1.302 1.00 12.21 H new ATOM 0 HA ALA A 20 14.608 3.878 -3.601 1.00 35.34 H new ATOM 0 HB1 ALA A 20 16.408 4.350 -1.972 1.00 50.24 H new ATOM 0 HB2 ALA A 20 14.831 4.949 -1.404 1.00 50.24 H new ATOM 0 HB3 ALA A 20 15.509 3.449 -0.728 1.00 50.24 H new ATOM 316 N GLU A 21 15.246 0.894 -2.496 1.00 52.12 N ATOM 317 CA GLU A 21 15.974 -0.338 -2.774 1.00 61.22 C ATOM 318 C GLU A 21 15.024 -1.531 -2.831 1.00 12.14 C ATOM 319 O GLU A 21 14.976 -2.346 -1.909 1.00 62.40 O ATOM 320 CB GLU A 21 17.045 -0.576 -1.708 1.00 1.54 C ATOM 321 CG GLU A 21 16.514 -0.506 -0.286 1.00 0.13 C ATOM 322 CD GLU A 21 17.617 -0.345 0.742 1.00 24.20 C ATOM 323 OE1 GLU A 21 17.754 0.766 1.296 1.00 60.21 O ATOM 324 OE2 GLU A 21 18.344 -1.329 0.992 1.00 30.42 O ATOM 0 H GLU A 21 14.494 0.795 -1.814 1.00 52.12 H new ATOM 0 HA GLU A 21 16.456 -0.233 -3.746 1.00 61.22 H new ATOM 0 HB2 GLU A 21 17.496 -1.555 -1.871 1.00 1.54 H new ATOM 0 HB3 GLU A 21 17.836 0.164 -1.828 1.00 1.54 H new ATOM 0 HG2 GLU A 21 15.820 0.330 -0.202 1.00 0.13 H new ATOM 0 HG3 GLU A 21 15.949 -1.412 -0.068 1.00 0.13 H new ATOM 331 N THR A 22 14.267 -1.626 -3.919 1.00 71.15 N ATOM 332 CA THR A 22 13.316 -2.717 -4.097 1.00 5.33 C ATOM 333 C THR A 22 14.030 -4.014 -4.461 1.00 53.33 C ATOM 334 O THR A 22 13.585 -5.102 -4.097 1.00 75.23 O ATOM 335 CB THR A 22 12.282 -2.388 -5.190 1.00 31.34 C ATOM 336 OG1 THR A 22 11.115 -3.201 -5.020 1.00 64.20 O ATOM 337 CG2 THR A 22 12.868 -2.615 -6.575 1.00 74.50 C ATOM 0 H THR A 22 14.294 -0.960 -4.691 1.00 71.15 H new ATOM 0 HA THR A 22 12.799 -2.845 -3.146 1.00 5.33 H new ATOM 0 HB THR A 22 12.009 -1.337 -5.097 1.00 31.34 H new ATOM 0 HG1 THR A 22 11.381 -4.140 -4.927 1.00 64.20 H new ATOM 0 HG21 THR A 22 12.119 -2.376 -7.330 1.00 74.50 H new ATOM 0 HG22 THR A 22 13.739 -1.974 -6.711 1.00 74.50 H new ATOM 0 HG23 THR A 22 13.167 -3.658 -6.677 1.00 74.50 H new ATOM 345 N VAL A 23 15.140 -3.891 -5.182 1.00 11.20 N ATOM 346 CA VAL A 23 15.916 -5.054 -5.594 1.00 42.04 C ATOM 347 C VAL A 23 16.720 -5.620 -4.429 1.00 11.40 C ATOM 348 O VAL A 23 16.624 -6.805 -4.113 1.00 15.04 O ATOM 349 CB VAL A 23 16.878 -4.707 -6.746 1.00 71.15 C ATOM 350 CG1 VAL A 23 17.737 -5.910 -7.106 1.00 34.10 C ATOM 351 CG2 VAL A 23 16.101 -4.215 -7.958 1.00 42.23 C ATOM 0 H VAL A 23 15.522 -2.998 -5.493 1.00 11.20 H new ATOM 0 HA VAL A 23 15.203 -5.804 -5.938 1.00 42.04 H new ATOM 0 HB VAL A 23 17.538 -3.905 -6.416 1.00 71.15 H new ATOM 0 HG11 VAL A 23 18.410 -5.646 -7.922 1.00 34.10 H new ATOM 0 HG12 VAL A 23 18.321 -6.213 -6.237 1.00 34.10 H new ATOM 0 HG13 VAL A 23 17.096 -6.735 -7.418 1.00 34.10 H new ATOM 0 HG21 VAL A 23 16.796 -3.974 -8.763 1.00 42.23 H new ATOM 0 HG22 VAL A 23 15.416 -4.994 -8.292 1.00 42.23 H new ATOM 0 HG23 VAL A 23 15.534 -3.324 -7.689 1.00 42.23 H new ATOM 361 N ALA A 24 17.513 -4.763 -3.793 1.00 72.22 N ATOM 362 CA ALA A 24 18.332 -5.177 -2.661 1.00 12.24 C ATOM 363 C ALA A 24 17.468 -5.721 -1.528 1.00 72.11 C ATOM 364 O ALA A 24 17.802 -6.732 -0.911 1.00 31.44 O ATOM 365 CB ALA A 24 19.178 -4.012 -2.168 1.00 64.33 C ATOM 0 H ALA A 24 17.605 -3.778 -4.043 1.00 72.22 H new ATOM 0 HA ALA A 24 18.993 -5.977 -2.996 1.00 12.24 H new ATOM 0 HB1 ALA A 24 19.785 -4.335 -1.322 1.00 64.33 H new ATOM 0 HB2 ALA A 24 19.829 -3.669 -2.972 1.00 64.33 H new ATOM 0 HB3 ALA A 24 18.527 -3.196 -1.856 1.00 64.33 H new ATOM 371 N ASP A 25 16.357 -5.044 -1.260 1.00 73.02 N ATOM 372 CA ASP A 25 15.444 -5.460 -0.202 1.00 22.35 C ATOM 373 C ASP A 25 14.970 -6.893 -0.425 1.00 0.11 C ATOM 374 O ASP A 25 14.882 -7.683 0.516 1.00 11.10 O ATOM 375 CB ASP A 25 14.242 -4.517 -0.135 1.00 3.33 C ATOM 376 CG ASP A 25 13.072 -5.122 0.616 1.00 4.41 C ATOM 377 OD1 ASP A 25 12.366 -5.970 0.031 1.00 0.51 O ATOM 378 OD2 ASP A 25 12.864 -4.748 1.789 1.00 55.20 O ATOM 0 H ASP A 25 16.067 -4.204 -1.761 1.00 73.02 H new ATOM 0 HA ASP A 25 15.982 -5.417 0.745 1.00 22.35 H new ATOM 0 HB2 ASP A 25 14.540 -3.588 0.350 1.00 3.33 H new ATOM 0 HB3 ASP A 25 13.927 -4.262 -1.147 1.00 3.33 H new ATOM 383 N LEU A 26 14.665 -7.221 -1.675 1.00 71.34 N ATOM 384 CA LEU A 26 14.198 -8.559 -2.023 1.00 63.10 C ATOM 385 C LEU A 26 15.360 -9.547 -2.067 1.00 11.32 C ATOM 386 O LEU A 26 15.244 -10.680 -1.600 1.00 74.13 O ATOM 387 CB LEU A 26 13.483 -8.536 -3.375 1.00 14.23 C ATOM 388 CG LEU A 26 11.966 -8.728 -3.335 1.00 22.13 C ATOM 389 CD1 LEU A 26 11.389 -8.715 -4.742 1.00 21.23 C ATOM 390 CD2 LEU A 26 11.612 -10.025 -2.623 1.00 33.53 C ATOM 0 H LEU A 26 14.732 -6.579 -2.465 1.00 71.34 H new ATOM 0 HA LEU A 26 13.497 -8.884 -1.254 1.00 63.10 H new ATOM 0 HB2 LEU A 26 13.696 -7.583 -3.860 1.00 14.23 H new ATOM 0 HB3 LEU A 26 13.912 -9.317 -4.004 1.00 14.23 H new ATOM 0 HG LEU A 26 11.528 -7.900 -2.778 1.00 22.13 H new ATOM 0 HD11 LEU A 26 10.309 -8.853 -4.694 1.00 21.23 H new ATOM 0 HD12 LEU A 26 11.612 -7.760 -5.218 1.00 21.23 H new ATOM 0 HD13 LEU A 26 11.832 -9.523 -5.324 1.00 21.23 H new ATOM 0 HD21 LEU A 26 10.529 -10.146 -2.604 1.00 33.53 H new ATOM 0 HD22 LEU A 26 12.061 -10.865 -3.153 1.00 33.53 H new ATOM 0 HD23 LEU A 26 11.992 -9.995 -1.602 1.00 33.53 H new ATOM 402 N LYS A 27 16.481 -9.108 -2.629 1.00 24.45 N ATOM 403 CA LYS A 27 17.667 -9.951 -2.731 1.00 32.34 C ATOM 404 C LYS A 27 18.150 -10.380 -1.349 1.00 30.41 C ATOM 405 O LYS A 27 18.439 -11.555 -1.120 1.00 51.42 O ATOM 406 CB LYS A 27 18.785 -9.208 -3.465 1.00 74.14 C ATOM 407 CG LYS A 27 18.459 -8.900 -4.917 1.00 34.14 C ATOM 408 CD LYS A 27 19.187 -9.839 -5.863 1.00 72.42 C ATOM 409 CE LYS A 27 19.365 -9.216 -7.239 1.00 62.22 C ATOM 410 NZ LYS A 27 20.774 -8.797 -7.480 1.00 13.22 N ATOM 0 H LYS A 27 16.593 -8.173 -3.021 1.00 24.45 H new ATOM 0 HA LYS A 27 17.400 -10.843 -3.297 1.00 32.34 H new ATOM 0 HB2 LYS A 27 18.994 -8.275 -2.942 1.00 74.14 H new ATOM 0 HB3 LYS A 27 19.695 -9.806 -3.425 1.00 74.14 H new ATOM 0 HG2 LYS A 27 17.384 -8.984 -5.075 1.00 34.14 H new ATOM 0 HG3 LYS A 27 18.735 -7.870 -5.142 1.00 34.14 H new ATOM 0 HD2 LYS A 27 20.163 -10.091 -5.448 1.00 72.42 H new ATOM 0 HD3 LYS A 27 18.629 -10.771 -5.954 1.00 72.42 H new ATOM 0 HE2 LYS A 27 19.063 -9.932 -8.004 1.00 62.22 H new ATOM 0 HE3 LYS A 27 18.708 -8.352 -7.334 1.00 62.22 H new ATOM 0 HZ1 LYS A 27 20.854 -8.377 -8.428 1.00 13.22 H new ATOM 0 HZ2 LYS A 27 21.054 -8.095 -6.766 1.00 13.22 H new ATOM 0 HZ3 LYS A 27 21.399 -9.626 -7.415 1.00 13.22 H new ATOM 424 N GLN A 28 18.234 -9.422 -0.432 1.00 54.32 N ATOM 425 CA GLN A 28 18.681 -9.702 0.927 1.00 60.10 C ATOM 426 C GLN A 28 17.680 -10.591 1.657 1.00 13.13 C ATOM 427 O GLN A 28 18.062 -11.475 2.424 1.00 32.03 O ATOM 428 CB GLN A 28 18.881 -8.397 1.700 1.00 64.31 C ATOM 429 CG GLN A 28 19.269 -8.606 3.155 1.00 42.41 C ATOM 430 CD GLN A 28 19.477 -7.300 3.896 1.00 10.41 C ATOM 431 OE1 GLN A 28 18.567 -6.475 3.992 1.00 22.42 O ATOM 432 NE2 GLN A 28 20.679 -7.104 4.426 1.00 51.24 N ATOM 0 H GLN A 28 17.998 -8.445 -0.606 1.00 54.32 H new ATOM 0 HA GLN A 28 19.633 -10.230 0.868 1.00 60.10 H new ATOM 0 HB2 GLN A 28 19.654 -7.807 1.207 1.00 64.31 H new ATOM 0 HB3 GLN A 28 17.961 -7.815 1.658 1.00 64.31 H new ATOM 0 HG2 GLN A 28 18.492 -9.183 3.655 1.00 42.41 H new ATOM 0 HG3 GLN A 28 20.184 -9.196 3.202 1.00 42.41 H new ATOM 0 HE21 GLN A 28 21.404 -7.814 4.323 1.00 51.24 H new ATOM 0 HE22 GLN A 28 20.877 -6.243 4.936 1.00 51.24 H new ATOM 441 N LYS A 29 16.396 -10.351 1.414 1.00 13.55 N ATOM 442 CA LYS A 29 15.338 -11.129 2.048 1.00 70.13 C ATOM 443 C LYS A 29 15.408 -12.591 1.619 1.00 31.44 C ATOM 444 O LYS A 29 15.387 -13.494 2.456 1.00 21.44 O ATOM 445 CB LYS A 29 13.967 -10.548 1.694 1.00 41.01 C ATOM 446 CG LYS A 29 12.806 -11.313 2.305 1.00 20.10 C ATOM 447 CD LYS A 29 12.690 -11.052 3.797 1.00 11.24 C ATOM 448 CE LYS A 29 11.776 -9.871 4.087 1.00 3.20 C ATOM 449 NZ LYS A 29 12.491 -8.571 3.957 1.00 65.23 N ATOM 0 H LYS A 29 16.063 -9.623 0.782 1.00 13.55 H new ATOM 0 HA LYS A 29 15.480 -11.077 3.128 1.00 70.13 H new ATOM 0 HB2 LYS A 29 13.924 -9.511 2.028 1.00 41.01 H new ATOM 0 HB3 LYS A 29 13.855 -10.539 0.610 1.00 41.01 H new ATOM 0 HG2 LYS A 29 11.878 -11.024 1.811 1.00 20.10 H new ATOM 0 HG3 LYS A 29 12.941 -12.381 2.131 1.00 20.10 H new ATOM 0 HD2 LYS A 29 12.305 -11.942 4.294 1.00 11.24 H new ATOM 0 HD3 LYS A 29 13.679 -10.858 4.212 1.00 11.24 H new ATOM 0 HE2 LYS A 29 10.929 -9.890 3.401 1.00 3.20 H new ATOM 0 HE3 LYS A 29 11.372 -9.964 5.095 1.00 3.20 H new ATOM 0 HZ1 LYS A 29 12.036 -7.862 4.567 1.00 65.23 H new ATOM 0 HZ2 LYS A 29 13.483 -8.690 4.245 1.00 65.23 H new ATOM 0 HZ3 LYS A 29 12.454 -8.252 2.968 1.00 65.23 H new ATOM 463 N ILE A 30 15.492 -12.817 0.313 1.00 62.02 N ATOM 464 CA ILE A 30 15.568 -14.170 -0.225 1.00 50.30 C ATOM 465 C ILE A 30 16.926 -14.801 0.064 1.00 51.24 C ATOM 466 O ILE A 30 17.031 -16.012 0.255 1.00 13.23 O ATOM 467 CB ILE A 30 15.320 -14.186 -1.745 1.00 15.01 C ATOM 468 CG1 ILE A 30 13.936 -13.615 -2.064 1.00 22.33 C ATOM 469 CG2 ILE A 30 15.453 -15.601 -2.288 1.00 50.22 C ATOM 470 CD1 ILE A 30 13.900 -12.790 -3.331 1.00 23.21 C ATOM 0 H ILE A 30 15.509 -12.081 -0.393 1.00 62.02 H new ATOM 0 HA ILE A 30 14.788 -14.750 0.268 1.00 50.30 H new ATOM 0 HB ILE A 30 16.071 -13.560 -2.228 1.00 15.01 H new ATOM 0 HG12 ILE A 30 13.225 -14.436 -2.155 1.00 22.33 H new ATOM 0 HG13 ILE A 30 13.605 -12.998 -1.229 1.00 22.33 H new ATOM 0 HG21 ILE A 30 15.275 -15.596 -3.363 1.00 50.22 H new ATOM 0 HG22 ILE A 30 16.457 -15.975 -2.088 1.00 50.22 H new ATOM 0 HG23 ILE A 30 14.722 -16.247 -1.802 1.00 50.22 H new ATOM 0 HD11 ILE A 30 12.889 -12.418 -3.494 1.00 23.21 H new ATOM 0 HD12 ILE A 30 14.586 -11.948 -3.237 1.00 23.21 H new ATOM 0 HD13 ILE A 30 14.200 -13.409 -4.177 1.00 23.21 H new ATOM 482 N ALA A 31 17.963 -13.971 0.095 1.00 43.23 N ATOM 483 CA ALA A 31 19.315 -14.447 0.364 1.00 15.40 C ATOM 484 C ALA A 31 19.409 -15.074 1.751 1.00 45.42 C ATOM 485 O ALA A 31 19.907 -16.189 1.905 1.00 5.15 O ATOM 486 CB ALA A 31 20.312 -13.306 0.229 1.00 65.11 C ATOM 0 H ALA A 31 17.893 -12.966 -0.063 1.00 43.23 H new ATOM 0 HA ALA A 31 19.557 -15.215 -0.371 1.00 15.40 H new ATOM 0 HB1 ALA A 31 21.317 -13.675 0.432 1.00 65.11 H new ATOM 0 HB2 ALA A 31 20.271 -12.905 -0.784 1.00 65.11 H new ATOM 0 HB3 ALA A 31 20.063 -12.519 0.941 1.00 65.11 H new ATOM 492 N ASP A 32 18.930 -14.350 2.756 1.00 12.12 N ATOM 493 CA ASP A 32 18.960 -14.836 4.131 1.00 44.22 C ATOM 494 C ASP A 32 17.864 -15.870 4.366 1.00 12.12 C ATOM 495 O ASP A 32 17.962 -16.700 5.270 1.00 61.42 O ATOM 496 CB ASP A 32 18.799 -13.671 5.110 1.00 62.55 C ATOM 497 CG ASP A 32 20.045 -12.812 5.197 1.00 22.45 C ATOM 498 OD1 ASP A 32 20.685 -12.803 6.270 1.00 2.31 O ATOM 499 OD2 ASP A 32 20.381 -12.150 4.193 1.00 31.35 O ATOM 0 H ASP A 32 18.516 -13.424 2.645 1.00 12.12 H new ATOM 0 HA ASP A 32 19.926 -15.312 4.301 1.00 44.22 H new ATOM 0 HB2 ASP A 32 17.956 -13.053 4.800 1.00 62.55 H new ATOM 0 HB3 ASP A 32 18.561 -14.062 6.099 1.00 62.55 H new ATOM 504 N LYS A 33 16.819 -15.813 3.548 1.00 54.01 N ATOM 505 CA LYS A 33 15.703 -16.744 3.666 1.00 54.14 C ATOM 506 C LYS A 33 16.086 -18.123 3.138 1.00 42.31 C ATOM 507 O LYS A 33 15.816 -19.139 3.778 1.00 44.44 O ATOM 508 CB LYS A 33 14.487 -16.214 2.902 1.00 12.10 C ATOM 509 CG LYS A 33 13.314 -17.179 2.881 1.00 51.22 C ATOM 510 CD LYS A 33 12.751 -17.403 4.274 1.00 23.34 C ATOM 511 CE LYS A 33 12.084 -16.148 4.815 1.00 71.10 C ATOM 512 NZ LYS A 33 11.088 -16.463 5.876 1.00 14.30 N ATOM 0 H LYS A 33 16.721 -15.131 2.795 1.00 54.01 H new ATOM 0 HA LYS A 33 15.450 -16.836 4.722 1.00 54.14 H new ATOM 0 HB2 LYS A 33 14.166 -15.275 3.353 1.00 12.10 H new ATOM 0 HB3 LYS A 33 14.782 -15.991 1.877 1.00 12.10 H new ATOM 0 HG2 LYS A 33 12.532 -16.788 2.230 1.00 51.22 H new ATOM 0 HG3 LYS A 33 13.633 -18.132 2.459 1.00 51.22 H new ATOM 0 HD2 LYS A 33 12.028 -18.218 4.248 1.00 23.34 H new ATOM 0 HD3 LYS A 33 13.552 -17.709 4.946 1.00 23.34 H new ATOM 0 HE2 LYS A 33 12.844 -15.478 5.217 1.00 71.10 H new ATOM 0 HE3 LYS A 33 11.591 -15.618 4.000 1.00 71.10 H new ATOM 0 HZ1 LYS A 33 10.656 -15.582 6.219 1.00 14.30 H new ATOM 0 HZ2 LYS A 33 10.349 -17.082 5.486 1.00 14.30 H new ATOM 0 HZ3 LYS A 33 11.563 -16.946 6.665 1.00 14.30 H new ATOM 526 N GLU A 34 16.718 -18.149 1.968 1.00 32.14 N ATOM 527 CA GLU A 34 17.139 -19.404 1.356 1.00 34.05 C ATOM 528 C GLU A 34 18.562 -19.763 1.774 1.00 12.31 C ATOM 529 O GLU A 34 19.021 -20.883 1.555 1.00 42.31 O ATOM 530 CB GLU A 34 17.052 -19.308 -0.168 1.00 74.11 C ATOM 531 CG GLU A 34 15.850 -20.029 -0.756 1.00 21.02 C ATOM 532 CD GLU A 34 14.581 -19.792 0.040 1.00 40.14 C ATOM 533 OE1 GLU A 34 13.986 -20.782 0.516 1.00 43.35 O ATOM 534 OE2 GLU A 34 14.182 -18.618 0.186 1.00 45.31 O ATOM 0 H GLU A 34 16.949 -17.316 1.426 1.00 32.14 H new ATOM 0 HA GLU A 34 16.468 -20.190 1.702 1.00 34.05 H new ATOM 0 HB2 GLU A 34 17.011 -18.257 -0.456 1.00 74.11 H new ATOM 0 HB3 GLU A 34 17.962 -19.722 -0.602 1.00 74.11 H new ATOM 0 HG2 GLU A 34 15.698 -19.696 -1.783 1.00 21.02 H new ATOM 0 HG3 GLU A 34 16.056 -21.099 -0.795 1.00 21.02 H new ATOM 541 N GLY A 35 19.255 -18.802 2.377 1.00 4.22 N ATOM 542 CA GLY A 35 20.619 -19.035 2.815 1.00 2.34 C ATOM 543 C GLY A 35 21.611 -18.993 1.670 1.00 3.01 C ATOM 544 O GLY A 35 22.658 -19.639 1.722 1.00 72.33 O ATOM 0 H GLY A 35 18.897 -17.867 2.570 1.00 4.22 H new ATOM 0 HA2 GLY A 35 20.893 -18.284 3.556 1.00 2.34 H new ATOM 0 HA3 GLY A 35 20.678 -20.006 3.308 1.00 2.34 H new ATOM 548 N VAL A 36 21.282 -18.232 0.631 1.00 1.43 N ATOM 549 CA VAL A 36 22.152 -18.109 -0.532 1.00 53.44 C ATOM 550 C VAL A 36 22.514 -16.651 -0.796 1.00 24.42 C ATOM 551 O VAL A 36 21.798 -15.728 -0.409 1.00 52.25 O ATOM 552 CB VAL A 36 21.490 -18.697 -1.792 1.00 72.25 C ATOM 553 CG1 VAL A 36 21.516 -20.217 -1.749 1.00 35.53 C ATOM 554 CG2 VAL A 36 20.065 -18.184 -1.935 1.00 10.24 C ATOM 0 H VAL A 36 20.419 -17.691 0.571 1.00 1.43 H new ATOM 0 HA VAL A 36 23.059 -18.672 -0.310 1.00 53.44 H new ATOM 0 HB VAL A 36 22.058 -18.372 -2.664 1.00 72.25 H new ATOM 0 HG11 VAL A 36 21.044 -20.615 -2.647 1.00 35.53 H new ATOM 0 HG12 VAL A 36 22.549 -20.562 -1.699 1.00 35.53 H new ATOM 0 HG13 VAL A 36 20.974 -20.565 -0.870 1.00 35.53 H new ATOM 0 HG21 VAL A 36 19.613 -18.610 -2.831 1.00 10.24 H new ATOM 0 HG22 VAL A 36 19.483 -18.477 -1.061 1.00 10.24 H new ATOM 0 HG23 VAL A 36 20.076 -17.097 -2.016 1.00 10.24 H new ATOM 564 N PRO A 37 23.654 -16.438 -1.470 1.00 41.01 N ATOM 565 CA PRO A 37 24.138 -15.095 -1.802 1.00 11.54 C ATOM 566 C PRO A 37 23.272 -14.410 -2.854 1.00 3.12 C ATOM 567 O PRO A 37 22.694 -15.067 -3.720 1.00 1.32 O ATOM 568 CB PRO A 37 25.544 -15.349 -2.350 1.00 24.25 C ATOM 569 CG PRO A 37 25.504 -16.747 -2.863 1.00 34.24 C ATOM 570 CD PRO A 37 24.558 -17.492 -1.961 1.00 52.33 C ATOM 0 HA PRO A 37 24.116 -14.430 -0.939 1.00 11.54 H new ATOM 0 HB2 PRO A 37 25.793 -14.644 -3.143 1.00 24.25 H new ATOM 0 HB3 PRO A 37 26.299 -15.234 -1.572 1.00 24.25 H new ATOM 0 HG2 PRO A 37 25.160 -16.774 -3.897 1.00 34.24 H new ATOM 0 HG3 PRO A 37 26.496 -17.198 -2.846 1.00 34.24 H new ATOM 0 HD2 PRO A 37 24.015 -18.268 -2.501 1.00 52.33 H new ATOM 0 HD3 PRO A 37 25.085 -17.983 -1.143 1.00 52.33 H new ATOM 578 N VAL A 38 23.188 -13.086 -2.774 1.00 15.34 N ATOM 579 CA VAL A 38 22.393 -12.312 -3.720 1.00 44.32 C ATOM 580 C VAL A 38 22.914 -12.482 -5.143 1.00 21.41 C ATOM 581 O VAL A 38 22.188 -12.257 -6.112 1.00 24.34 O ATOM 582 CB VAL A 38 22.395 -10.814 -3.361 1.00 53.11 C ATOM 583 CG1 VAL A 38 21.828 -10.599 -1.966 1.00 53.31 C ATOM 584 CG2 VAL A 38 23.800 -10.242 -3.468 1.00 42.14 C ATOM 0 H VAL A 38 23.661 -12.527 -2.064 1.00 15.34 H new ATOM 0 HA VAL A 38 21.373 -12.691 -3.661 1.00 44.32 H new ATOM 0 HB VAL A 38 21.758 -10.287 -4.072 1.00 53.11 H new ATOM 0 HG11 VAL A 38 21.837 -9.535 -1.729 1.00 53.31 H new ATOM 0 HG12 VAL A 38 20.804 -10.970 -1.928 1.00 53.31 H new ATOM 0 HG13 VAL A 38 22.436 -11.138 -1.239 1.00 53.31 H new ATOM 0 HG21 VAL A 38 23.782 -9.183 -3.211 1.00 42.14 H new ATOM 0 HG22 VAL A 38 24.461 -10.771 -2.782 1.00 42.14 H new ATOM 0 HG23 VAL A 38 24.165 -10.362 -4.488 1.00 42.14 H new ATOM 594 N ASP A 39 24.175 -12.882 -5.261 1.00 44.03 N ATOM 595 CA ASP A 39 24.794 -13.085 -6.566 1.00 51.12 C ATOM 596 C ASP A 39 24.051 -14.155 -7.359 1.00 75.24 C ATOM 597 O ASP A 39 24.113 -14.185 -8.588 1.00 63.40 O ATOM 598 CB ASP A 39 26.262 -13.481 -6.402 1.00 70.35 C ATOM 599 CG ASP A 39 27.056 -12.452 -5.623 1.00 2.21 C ATOM 600 OD1 ASP A 39 27.608 -11.526 -6.254 1.00 12.53 O ATOM 601 OD2 ASP A 39 27.125 -12.572 -4.382 1.00 45.21 O ATOM 0 H ASP A 39 24.789 -13.072 -4.469 1.00 44.03 H new ATOM 0 HA ASP A 39 24.739 -12.146 -7.117 1.00 51.12 H new ATOM 0 HB2 ASP A 39 26.321 -14.443 -5.893 1.00 70.35 H new ATOM 0 HB3 ASP A 39 26.712 -13.613 -7.386 1.00 70.35 H new ATOM 606 N GLN A 40 23.349 -15.031 -6.648 1.00 32.42 N ATOM 607 CA GLN A 40 22.595 -16.104 -7.286 1.00 63.20 C ATOM 608 C GLN A 40 21.147 -15.687 -7.521 1.00 63.12 C ATOM 609 O GLN A 40 20.432 -16.311 -8.304 1.00 33.41 O ATOM 610 CB GLN A 40 22.641 -17.369 -6.427 1.00 60.10 C ATOM 611 CG GLN A 40 22.637 -18.655 -7.237 1.00 62.23 C ATOM 612 CD GLN A 40 23.984 -18.953 -7.866 1.00 41.44 C ATOM 613 OE1 GLN A 40 24.986 -19.115 -7.169 1.00 12.12 O ATOM 614 NE2 GLN A 40 24.015 -19.026 -9.192 1.00 5.01 N ATOM 0 H GLN A 40 23.286 -15.019 -5.630 1.00 32.42 H new ATOM 0 HA GLN A 40 23.055 -16.312 -8.252 1.00 63.20 H new ATOM 0 HB2 GLN A 40 23.536 -17.344 -5.805 1.00 60.10 H new ATOM 0 HB3 GLN A 40 21.785 -17.372 -5.753 1.00 60.10 H new ATOM 0 HG2 GLN A 40 22.350 -19.485 -6.592 1.00 62.23 H new ATOM 0 HG3 GLN A 40 21.882 -18.584 -8.020 1.00 62.23 H new ATOM 0 HE21 GLN A 40 23.160 -18.885 -9.731 1.00 5.01 H new ATOM 0 HE22 GLN A 40 24.893 -19.223 -9.672 1.00 5.01 H new ATOM 623 N GLN A 41 20.723 -14.629 -6.838 1.00 41.22 N ATOM 624 CA GLN A 41 19.360 -14.130 -6.973 1.00 13.33 C ATOM 625 C GLN A 41 19.301 -12.965 -7.955 1.00 52.05 C ATOM 626 O GLN A 41 20.070 -12.010 -7.848 1.00 12.34 O ATOM 627 CB GLN A 41 18.818 -13.691 -5.611 1.00 31.40 C ATOM 628 CG GLN A 41 18.930 -14.763 -4.538 1.00 51.52 C ATOM 629 CD GLN A 41 18.229 -16.050 -4.924 1.00 24.40 C ATOM 630 OE1 GLN A 41 18.838 -17.121 -4.941 1.00 1.30 O ATOM 631 NE2 GLN A 41 16.942 -15.954 -5.236 1.00 44.05 N ATOM 0 H GLN A 41 21.303 -14.101 -6.186 1.00 41.22 H new ATOM 0 HA GLN A 41 18.741 -14.939 -7.360 1.00 13.33 H new ATOM 0 HB2 GLN A 41 19.358 -12.803 -5.283 1.00 31.40 H new ATOM 0 HB3 GLN A 41 17.772 -13.406 -5.720 1.00 31.40 H new ATOM 0 HG2 GLN A 41 19.983 -14.971 -4.346 1.00 51.52 H new ATOM 0 HG3 GLN A 41 18.504 -14.387 -3.608 1.00 51.52 H new ATOM 0 HE21 GLN A 41 16.477 -15.047 -5.209 1.00 44.05 H new ATOM 0 HE22 GLN A 41 16.418 -16.788 -5.503 1.00 44.05 H new ATOM 640 N ARG A 42 18.384 -13.051 -8.914 1.00 32.45 N ATOM 641 CA ARG A 42 18.226 -12.005 -9.917 1.00 31.24 C ATOM 642 C ARG A 42 16.755 -11.640 -10.095 1.00 20.33 C ATOM 643 O ARG A 42 15.886 -12.513 -10.113 1.00 14.31 O ATOM 644 CB ARG A 42 18.816 -12.458 -11.254 1.00 13.24 C ATOM 645 CG ARG A 42 19.342 -11.314 -12.106 1.00 33.35 C ATOM 646 CD ARG A 42 20.704 -10.841 -11.623 1.00 11.12 C ATOM 647 NE ARG A 42 21.722 -11.879 -11.755 1.00 25.13 N ATOM 648 CZ ARG A 42 22.309 -12.191 -12.905 1.00 3.01 C ATOM 649 NH1 ARG A 42 21.980 -11.548 -14.017 1.00 5.44 N ATOM 650 NH2 ARG A 42 23.228 -13.148 -12.945 1.00 14.15 N ATOM 0 H ARG A 42 17.739 -13.835 -9.017 1.00 32.45 H new ATOM 0 HA ARG A 42 18.762 -11.121 -9.572 1.00 31.24 H new ATOM 0 HB2 ARG A 42 19.627 -13.161 -11.064 1.00 13.24 H new ATOM 0 HB3 ARG A 42 18.052 -12.996 -11.815 1.00 13.24 H new ATOM 0 HG2 ARG A 42 19.415 -11.636 -13.145 1.00 33.35 H new ATOM 0 HG3 ARG A 42 18.636 -10.484 -12.078 1.00 33.35 H new ATOM 0 HD2 ARG A 42 21.006 -9.963 -12.193 1.00 11.12 H new ATOM 0 HD3 ARG A 42 20.632 -10.534 -10.580 1.00 11.12 H new ATOM 0 HE ARG A 42 21.998 -12.393 -10.918 1.00 25.13 H new ATOM 0 HH11 ARG A 42 21.275 -10.812 -13.991 1.00 5.44 H new ATOM 0 HH12 ARG A 42 22.432 -11.790 -14.899 1.00 5.44 H new ATOM 0 HH21 ARG A 42 23.484 -13.645 -12.092 1.00 14.15 H new ATOM 0 HH22 ARG A 42 23.678 -13.386 -13.829 1.00 14.15 H new ATOM 664 N LEU A 43 16.484 -10.347 -10.225 1.00 55.52 N ATOM 665 CA LEU A 43 15.118 -9.865 -10.401 1.00 73.45 C ATOM 666 C LEU A 43 14.826 -9.580 -11.871 1.00 44.42 C ATOM 667 O LEU A 43 15.626 -8.946 -12.561 1.00 1.04 O ATOM 668 CB LEU A 43 14.890 -8.602 -9.570 1.00 33.04 C ATOM 669 CG LEU A 43 14.368 -8.819 -8.149 1.00 21.13 C ATOM 670 CD1 LEU A 43 15.524 -8.930 -7.167 1.00 1.01 C ATOM 671 CD2 LEU A 43 13.431 -7.690 -7.746 1.00 53.14 C ATOM 0 H LEU A 43 17.192 -9.613 -10.212 1.00 55.52 H new ATOM 0 HA LEU A 43 14.438 -10.645 -10.059 1.00 73.45 H new ATOM 0 HB2 LEU A 43 15.831 -8.056 -9.510 1.00 33.04 H new ATOM 0 HB3 LEU A 43 14.184 -7.964 -10.102 1.00 33.04 H new ATOM 0 HG LEU A 43 13.808 -9.754 -8.128 1.00 21.13 H new ATOM 0 HD11 LEU A 43 15.133 -9.084 -6.161 1.00 1.01 H new ATOM 0 HD12 LEU A 43 16.157 -9.773 -7.444 1.00 1.01 H new ATOM 0 HD13 LEU A 43 16.112 -8.012 -7.191 1.00 1.01 H new ATOM 0 HD21 LEU A 43 13.070 -7.862 -6.732 1.00 53.14 H new ATOM 0 HD22 LEU A 43 13.967 -6.741 -7.785 1.00 53.14 H new ATOM 0 HD23 LEU A 43 12.585 -7.657 -8.432 1.00 53.14 H new ATOM 683 N ILE A 44 13.677 -10.049 -12.343 1.00 74.13 N ATOM 684 CA ILE A 44 13.279 -9.841 -13.730 1.00 13.10 C ATOM 685 C ILE A 44 11.819 -9.410 -13.824 1.00 41.53 C ATOM 686 O ILE A 44 10.965 -9.905 -13.089 1.00 23.32 O ATOM 687 CB ILE A 44 13.481 -11.115 -14.571 1.00 61.01 C ATOM 688 CG1 ILE A 44 14.903 -11.650 -14.392 1.00 44.11 C ATOM 689 CG2 ILE A 44 13.197 -10.832 -16.039 1.00 13.35 C ATOM 690 CD1 ILE A 44 15.152 -12.958 -15.109 1.00 74.52 C ATOM 0 H ILE A 44 13.005 -10.576 -11.786 1.00 74.13 H new ATOM 0 HA ILE A 44 13.916 -9.050 -14.126 1.00 13.10 H new ATOM 0 HB ILE A 44 12.780 -11.875 -14.226 1.00 61.01 H new ATOM 0 HG12 ILE A 44 15.611 -10.905 -14.756 1.00 44.11 H new ATOM 0 HG13 ILE A 44 15.100 -11.785 -13.329 1.00 44.11 H new ATOM 0 HG21 ILE A 44 13.344 -11.742 -16.620 1.00 13.35 H new ATOM 0 HG22 ILE A 44 12.167 -10.492 -16.151 1.00 13.35 H new ATOM 0 HG23 ILE A 44 13.876 -10.058 -16.398 1.00 13.35 H new ATOM 0 HD11 ILE A 44 16.180 -13.277 -14.938 1.00 74.52 H new ATOM 0 HD12 ILE A 44 14.469 -13.717 -14.729 1.00 74.52 H new ATOM 0 HD13 ILE A 44 14.987 -12.824 -16.178 1.00 74.52 H new ATOM 702 N PHE A 45 11.539 -8.484 -14.736 1.00 1.12 N ATOM 703 CA PHE A 45 10.182 -7.986 -14.928 1.00 0.13 C ATOM 704 C PHE A 45 9.858 -7.848 -16.412 1.00 60.44 C ATOM 705 O PHE A 45 10.351 -6.944 -17.085 1.00 44.31 O ATOM 706 CB PHE A 45 10.008 -6.636 -14.229 1.00 40.20 C ATOM 707 CG PHE A 45 8.587 -6.149 -14.211 1.00 3.11 C ATOM 708 CD1 PHE A 45 8.014 -5.601 -15.347 1.00 42.01 C ATOM 709 CD2 PHE A 45 7.825 -6.239 -13.057 1.00 50.33 C ATOM 710 CE1 PHE A 45 6.707 -5.152 -15.334 1.00 71.30 C ATOM 711 CE2 PHE A 45 6.517 -5.792 -13.038 1.00 62.13 C ATOM 712 CZ PHE A 45 5.958 -5.247 -14.178 1.00 32.24 C ATOM 0 H PHE A 45 12.234 -8.064 -15.353 1.00 1.12 H new ATOM 0 HA PHE A 45 9.492 -8.707 -14.489 1.00 0.13 H new ATOM 0 HB2 PHE A 45 10.369 -6.718 -13.204 1.00 40.20 H new ATOM 0 HB3 PHE A 45 10.632 -5.894 -14.728 1.00 40.20 H new ATOM 0 HD1 PHE A 45 8.596 -5.524 -16.254 1.00 42.01 H new ATOM 0 HD2 PHE A 45 8.258 -6.663 -12.163 1.00 50.33 H new ATOM 0 HE1 PHE A 45 6.272 -4.727 -16.227 1.00 71.30 H new ATOM 0 HE2 PHE A 45 5.933 -5.869 -12.133 1.00 62.13 H new ATOM 0 HZ PHE A 45 4.937 -4.896 -14.165 1.00 32.24 H new ATOM 722 N ALA A 46 9.026 -8.753 -16.917 1.00 34.55 N ATOM 723 CA ALA A 46 8.634 -8.733 -18.320 1.00 61.25 C ATOM 724 C ALA A 46 9.856 -8.677 -19.230 1.00 45.35 C ATOM 725 O ALA A 46 9.809 -8.099 -20.315 1.00 55.25 O ATOM 726 CB ALA A 46 7.714 -7.553 -18.595 1.00 4.41 C ATOM 0 H ALA A 46 8.610 -9.510 -16.374 1.00 34.55 H new ATOM 0 HA ALA A 46 8.096 -9.656 -18.534 1.00 61.25 H new ATOM 0 HB1 ALA A 46 7.429 -7.551 -19.647 1.00 4.41 H new ATOM 0 HB2 ALA A 46 6.820 -7.637 -17.977 1.00 4.41 H new ATOM 0 HB3 ALA A 46 8.233 -6.624 -18.358 1.00 4.41 H new ATOM 732 N GLY A 47 10.952 -9.280 -18.780 1.00 63.53 N ATOM 733 CA GLY A 47 12.172 -9.286 -19.566 1.00 62.14 C ATOM 734 C GLY A 47 13.087 -8.126 -19.226 1.00 75.02 C ATOM 735 O GLY A 47 13.986 -7.788 -19.996 1.00 2.02 O ATOM 0 H GLY A 47 11.017 -9.765 -17.885 1.00 63.53 H new ATOM 0 HA2 GLY A 47 12.702 -10.224 -19.400 1.00 62.14 H new ATOM 0 HA3 GLY A 47 11.918 -9.246 -20.625 1.00 62.14 H new ATOM 739 N LYS A 48 12.856 -7.512 -18.070 1.00 61.44 N ATOM 740 CA LYS A 48 13.665 -6.383 -17.629 1.00 2.42 C ATOM 741 C LYS A 48 14.436 -6.729 -16.359 1.00 65.12 C ATOM 742 O LYS A 48 13.843 -7.065 -15.335 1.00 1.23 O ATOM 743 CB LYS A 48 12.779 -5.160 -17.382 1.00 51.31 C ATOM 744 CG LYS A 48 12.081 -4.652 -18.632 1.00 43.12 C ATOM 745 CD LYS A 48 13.069 -4.041 -19.613 1.00 33.44 C ATOM 746 CE LYS A 48 12.412 -3.743 -20.952 1.00 1.02 C ATOM 747 NZ LYS A 48 11.593 -2.500 -20.903 1.00 61.22 N ATOM 0 H LYS A 48 12.115 -7.778 -17.422 1.00 61.44 H new ATOM 0 HA LYS A 48 14.382 -6.152 -18.417 1.00 2.42 H new ATOM 0 HB2 LYS A 48 12.028 -5.411 -16.633 1.00 51.31 H new ATOM 0 HB3 LYS A 48 13.389 -4.358 -16.965 1.00 51.31 H new ATOM 0 HG2 LYS A 48 11.550 -5.474 -19.113 1.00 43.12 H new ATOM 0 HG3 LYS A 48 11.334 -3.908 -18.356 1.00 43.12 H new ATOM 0 HD2 LYS A 48 13.478 -3.121 -19.194 1.00 33.44 H new ATOM 0 HD3 LYS A 48 13.906 -4.723 -19.761 1.00 33.44 H new ATOM 0 HE2 LYS A 48 13.180 -3.642 -21.719 1.00 1.02 H new ATOM 0 HE3 LYS A 48 11.781 -4.583 -21.242 1.00 1.02 H new ATOM 0 HZ1 LYS A 48 11.162 -2.331 -21.834 1.00 61.22 H new ATOM 0 HZ2 LYS A 48 10.844 -2.606 -20.189 1.00 61.22 H new ATOM 0 HZ3 LYS A 48 12.200 -1.694 -20.651 1.00 61.22 H new ATOM 761 N GLN A 49 15.761 -6.644 -16.435 1.00 13.42 N ATOM 762 CA GLN A 49 16.612 -6.948 -15.291 1.00 12.44 C ATOM 763 C GLN A 49 16.724 -5.744 -14.361 1.00 2.13 C ATOM 764 O GLN A 49 17.074 -4.644 -14.791 1.00 73.02 O ATOM 765 CB GLN A 49 18.003 -7.374 -15.762 1.00 70.41 C ATOM 766 CG GLN A 49 18.021 -8.725 -16.459 1.00 62.31 C ATOM 767 CD GLN A 49 19.427 -9.222 -16.732 1.00 62.20 C ATOM 768 OE1 GLN A 49 19.937 -10.095 -16.029 1.00 72.31 O ATOM 769 NE2 GLN A 49 20.063 -8.667 -17.758 1.00 32.45 N ATOM 0 H GLN A 49 16.267 -6.367 -17.276 1.00 13.42 H new ATOM 0 HA GLN A 49 16.156 -7.770 -14.739 1.00 12.44 H new ATOM 0 HB2 GLN A 49 18.395 -6.618 -16.443 1.00 70.41 H new ATOM 0 HB3 GLN A 49 18.674 -7.408 -14.903 1.00 70.41 H new ATOM 0 HG2 GLN A 49 17.495 -9.454 -15.843 1.00 62.31 H new ATOM 0 HG3 GLN A 49 17.477 -8.651 -17.400 1.00 62.31 H new ATOM 0 HE21 GLN A 49 19.602 -7.947 -18.314 1.00 32.45 H new ATOM 0 HE22 GLN A 49 21.012 -8.961 -17.989 1.00 32.45 H new ATOM 778 N LEU A 50 16.426 -5.959 -13.084 1.00 54.13 N ATOM 779 CA LEU A 50 16.493 -4.891 -12.093 1.00 32.25 C ATOM 780 C LEU A 50 17.794 -4.965 -11.300 1.00 32.42 C ATOM 781 O LEU A 50 18.213 -6.042 -10.877 1.00 62.34 O ATOM 782 CB LEU A 50 15.297 -4.976 -11.142 1.00 4.43 C ATOM 783 CG LEU A 50 13.964 -5.375 -11.774 1.00 32.40 C ATOM 784 CD1 LEU A 50 12.876 -5.464 -10.715 1.00 2.12 C ATOM 785 CD2 LEU A 50 13.572 -4.387 -12.862 1.00 51.33 C ATOM 0 H LEU A 50 16.136 -6.863 -12.711 1.00 54.13 H new ATOM 0 HA LEU A 50 16.464 -3.937 -12.620 1.00 32.25 H new ATOM 0 HB2 LEU A 50 15.533 -5.694 -10.357 1.00 4.43 H new ATOM 0 HB3 LEU A 50 15.172 -4.006 -10.660 1.00 4.43 H new ATOM 0 HG LEU A 50 14.080 -6.358 -12.229 1.00 32.40 H new ATOM 0 HD11 LEU A 50 11.934 -5.749 -11.184 1.00 2.12 H new ATOM 0 HD12 LEU A 50 13.152 -6.212 -9.971 1.00 2.12 H new ATOM 0 HD13 LEU A 50 12.761 -4.495 -10.230 1.00 2.12 H new ATOM 0 HD21 LEU A 50 12.620 -4.687 -13.301 1.00 51.33 H new ATOM 0 HD22 LEU A 50 13.474 -3.391 -12.431 1.00 51.33 H new ATOM 0 HD23 LEU A 50 14.340 -4.374 -13.635 1.00 51.33 H new ATOM 797 N GLU A 51 18.426 -3.813 -11.101 1.00 20.15 N ATOM 798 CA GLU A 51 19.679 -3.748 -10.357 1.00 33.51 C ATOM 799 C GLU A 51 19.451 -3.190 -8.955 1.00 41.01 C ATOM 800 O GLU A 51 18.405 -2.606 -8.670 1.00 63.12 O ATOM 801 CB GLU A 51 20.697 -2.884 -11.103 1.00 54.43 C ATOM 802 CG GLU A 51 21.132 -3.469 -12.436 1.00 21.30 C ATOM 803 CD GLU A 51 22.352 -2.774 -13.008 1.00 53.44 C ATOM 804 OE1 GLU A 51 23.110 -2.166 -12.224 1.00 0.12 O ATOM 805 OE2 GLU A 51 22.548 -2.836 -14.240 1.00 31.41 O ATOM 0 H GLU A 51 18.092 -2.913 -11.444 1.00 20.15 H new ATOM 0 HA GLU A 51 20.071 -4.761 -10.267 1.00 33.51 H new ATOM 0 HB2 GLU A 51 20.268 -1.896 -11.272 1.00 54.43 H new ATOM 0 HB3 GLU A 51 21.575 -2.746 -10.472 1.00 54.43 H new ATOM 0 HG2 GLU A 51 21.349 -4.530 -12.310 1.00 21.30 H new ATOM 0 HG3 GLU A 51 20.309 -3.394 -13.147 1.00 21.30 H new ATOM 812 N ASP A 52 20.437 -3.374 -8.084 1.00 61.32 N ATOM 813 CA ASP A 52 20.346 -2.889 -6.712 1.00 72.00 C ATOM 814 C ASP A 52 20.179 -1.373 -6.682 1.00 4.13 C ATOM 815 O ASP A 52 19.723 -0.808 -5.688 1.00 31.43 O ATOM 816 CB ASP A 52 21.591 -3.294 -5.921 1.00 40.25 C ATOM 817 CG ASP A 52 21.773 -2.466 -4.665 1.00 5.42 C ATOM 818 OD1 ASP A 52 22.888 -1.942 -4.456 1.00 11.24 O ATOM 819 OD2 ASP A 52 20.802 -2.341 -3.891 1.00 13.51 O ATOM 0 H ASP A 52 21.309 -3.856 -8.304 1.00 61.32 H new ATOM 0 HA ASP A 52 19.469 -3.342 -6.250 1.00 72.00 H new ATOM 0 HB2 ASP A 52 21.520 -4.348 -5.651 1.00 40.25 H new ATOM 0 HB3 ASP A 52 22.471 -3.186 -6.555 1.00 40.25 H new ATOM 824 N SER A 53 20.554 -0.720 -7.777 1.00 12.40 N ATOM 825 CA SER A 53 20.451 0.732 -7.874 1.00 73.31 C ATOM 826 C SER A 53 19.157 1.139 -8.572 1.00 74.10 C ATOM 827 O SER A 53 19.072 2.210 -9.174 1.00 71.51 O ATOM 828 CB SER A 53 21.652 1.300 -8.631 1.00 44.05 C ATOM 829 OG SER A 53 21.624 2.717 -8.644 1.00 31.21 O ATOM 0 H SER A 53 20.932 -1.173 -8.609 1.00 12.40 H new ATOM 0 HA SER A 53 20.442 1.139 -6.863 1.00 73.31 H new ATOM 0 HB2 SER A 53 22.575 0.956 -8.165 1.00 44.05 H new ATOM 0 HB3 SER A 53 21.652 0.924 -9.654 1.00 44.05 H new ATOM 0 HG SER A 53 20.729 3.024 -8.899 1.00 31.21 H new ATOM 835 N LYS A 54 18.149 0.277 -8.487 1.00 23.53 N ATOM 836 CA LYS A 54 16.858 0.544 -9.108 1.00 14.21 C ATOM 837 C LYS A 54 15.722 0.348 -8.108 1.00 42.23 C ATOM 838 O LYS A 54 15.917 -0.224 -7.035 1.00 70.13 O ATOM 839 CB LYS A 54 16.651 -0.371 -10.317 1.00 14.21 C ATOM 840 CG LYS A 54 17.670 -0.158 -11.422 1.00 63.24 C ATOM 841 CD LYS A 54 17.243 -0.837 -12.713 1.00 42.21 C ATOM 842 CE LYS A 54 18.408 -0.975 -13.682 1.00 34.22 C ATOM 843 NZ LYS A 54 18.501 0.189 -14.606 1.00 65.30 N ATOM 0 H LYS A 54 18.202 -0.614 -7.993 1.00 23.53 H new ATOM 0 HA LYS A 54 16.851 1.582 -9.441 1.00 14.21 H new ATOM 0 HB2 LYS A 54 16.696 -1.409 -9.988 1.00 14.21 H new ATOM 0 HB3 LYS A 54 15.651 -0.207 -10.719 1.00 14.21 H new ATOM 0 HG2 LYS A 54 17.800 0.910 -11.597 1.00 63.24 H new ATOM 0 HG3 LYS A 54 18.637 -0.549 -11.107 1.00 63.24 H new ATOM 0 HD2 LYS A 54 16.836 -1.823 -12.489 1.00 42.21 H new ATOM 0 HD3 LYS A 54 16.445 -0.261 -13.182 1.00 42.21 H new ATOM 0 HE2 LYS A 54 19.338 -1.069 -13.121 1.00 34.22 H new ATOM 0 HE3 LYS A 54 18.292 -1.891 -14.262 1.00 34.22 H new ATOM 0 HZ1 LYS A 54 19.307 0.057 -15.250 1.00 65.30 H new ATOM 0 HZ2 LYS A 54 17.624 0.264 -15.160 1.00 65.30 H new ATOM 0 HZ3 LYS A 54 18.637 1.060 -14.054 1.00 65.30 H new ATOM 857 N THR A 55 14.534 0.826 -8.467 1.00 65.55 N ATOM 858 CA THR A 55 13.368 0.702 -7.603 1.00 11.44 C ATOM 859 C THR A 55 12.096 0.503 -8.419 1.00 64.04 C ATOM 860 O THR A 55 12.095 0.683 -9.637 1.00 22.42 O ATOM 861 CB THR A 55 13.199 1.944 -6.707 1.00 25.05 C ATOM 862 OG1 THR A 55 12.708 3.044 -7.481 1.00 22.13 O ATOM 863 CG2 THR A 55 14.521 2.325 -6.056 1.00 53.20 C ATOM 0 H THR A 55 14.355 1.303 -9.351 1.00 65.55 H new ATOM 0 HA THR A 55 13.533 -0.173 -6.974 1.00 11.44 H new ATOM 0 HB THR A 55 12.481 1.704 -5.923 1.00 25.05 H new ATOM 0 HG1 THR A 55 12.602 3.829 -6.904 1.00 22.13 H new ATOM 0 HG21 THR A 55 14.377 3.204 -5.428 1.00 53.20 H new ATOM 0 HG22 THR A 55 14.877 1.496 -5.444 1.00 53.20 H new ATOM 0 HG23 THR A 55 15.257 2.547 -6.829 1.00 53.20 H new ATOM 871 N MET A 56 11.015 0.131 -7.742 1.00 4.35 N ATOM 872 CA MET A 56 9.736 -0.090 -8.406 1.00 22.53 C ATOM 873 C MET A 56 9.139 1.227 -8.890 1.00 3.22 C ATOM 874 O MET A 56 8.373 1.255 -9.852 1.00 14.51 O ATOM 875 CB MET A 56 8.759 -0.788 -7.457 1.00 63.55 C ATOM 876 CG MET A 56 9.254 -2.137 -6.960 1.00 73.25 C ATOM 877 SD MET A 56 8.804 -3.491 -8.063 1.00 70.21 S ATOM 878 CE MET A 56 10.132 -4.648 -7.738 1.00 30.24 C ATOM 0 H MET A 56 10.999 -0.024 -6.734 1.00 4.35 H new ATOM 0 HA MET A 56 9.910 -0.729 -9.272 1.00 22.53 H new ATOM 0 HB2 MET A 56 8.572 -0.141 -6.600 1.00 63.55 H new ATOM 0 HB3 MET A 56 7.805 -0.925 -7.967 1.00 63.55 H new ATOM 0 HG2 MET A 56 10.338 -2.105 -6.854 1.00 73.25 H new ATOM 0 HG3 MET A 56 8.842 -2.328 -5.969 1.00 73.25 H new ATOM 0 HE1 MET A 56 10.163 -5.398 -8.529 1.00 30.24 H new ATOM 0 HE2 MET A 56 11.081 -4.113 -7.707 1.00 30.24 H new ATOM 0 HE3 MET A 56 9.961 -5.138 -6.780 1.00 30.24 H new ATOM 888 N ALA A 57 9.496 2.316 -8.217 1.00 0.05 N ATOM 889 CA ALA A 57 8.997 3.636 -8.580 1.00 12.53 C ATOM 890 C ALA A 57 9.626 4.123 -9.881 1.00 22.42 C ATOM 891 O ALA A 57 9.045 4.939 -10.595 1.00 51.35 O ATOM 892 CB ALA A 57 9.265 4.629 -7.458 1.00 62.01 C ATOM 0 H ALA A 57 10.129 2.310 -7.417 1.00 0.05 H new ATOM 0 HA ALA A 57 7.921 3.560 -8.734 1.00 12.53 H new ATOM 0 HB1 ALA A 57 8.887 5.611 -7.743 1.00 62.01 H new ATOM 0 HB2 ALA A 57 8.762 4.296 -6.550 1.00 62.01 H new ATOM 0 HB3 ALA A 57 10.338 4.692 -7.277 1.00 62.01 H new ATOM 898 N ASP A 58 10.817 3.616 -10.182 1.00 0.54 N ATOM 899 CA ASP A 58 11.525 3.999 -11.398 1.00 4.25 C ATOM 900 C ASP A 58 10.862 3.388 -12.628 1.00 24.00 C ATOM 901 O ASP A 58 10.708 4.049 -13.655 1.00 62.13 O ATOM 902 CB ASP A 58 12.989 3.560 -11.320 1.00 54.43 C ATOM 903 CG ASP A 58 13.828 4.490 -10.466 1.00 54.42 C ATOM 904 OD1 ASP A 58 15.058 4.286 -10.399 1.00 0.32 O ATOM 905 OD2 ASP A 58 13.254 5.423 -9.866 1.00 21.12 O ATOM 0 H ASP A 58 11.312 2.939 -9.601 1.00 0.54 H new ATOM 0 HA ASP A 58 11.483 5.085 -11.487 1.00 4.25 H new ATOM 0 HB2 ASP A 58 13.041 2.551 -10.912 1.00 54.43 H new ATOM 0 HB3 ASP A 58 13.407 3.519 -12.326 1.00 54.43 H new ATOM 910 N TYR A 59 10.473 2.123 -12.517 1.00 23.22 N ATOM 911 CA TYR A 59 9.830 1.421 -13.621 1.00 42.13 C ATOM 912 C TYR A 59 8.331 1.704 -13.647 1.00 42.04 C ATOM 913 O TYR A 59 7.626 1.289 -14.566 1.00 30.01 O ATOM 914 CB TYR A 59 10.074 -0.085 -13.508 1.00 4.43 C ATOM 915 CG TYR A 59 11.424 -0.521 -14.033 1.00 14.51 C ATOM 916 CD1 TYR A 59 12.489 -0.741 -13.169 1.00 0.14 C ATOM 917 CD2 TYR A 59 11.633 -0.711 -15.393 1.00 63.10 C ATOM 918 CE1 TYR A 59 13.724 -1.139 -13.644 1.00 12.42 C ATOM 919 CE2 TYR A 59 12.864 -1.110 -15.877 1.00 21.11 C ATOM 920 CZ TYR A 59 13.906 -1.322 -14.999 1.00 22.35 C ATOM 921 OH TYR A 59 15.134 -1.718 -15.477 1.00 22.42 O ATOM 0 H TYR A 59 10.592 1.562 -11.673 1.00 23.22 H new ATOM 0 HA TYR A 59 10.267 1.784 -14.552 1.00 42.13 H new ATOM 0 HB2 TYR A 59 9.987 -0.381 -12.463 1.00 4.43 H new ATOM 0 HB3 TYR A 59 9.293 -0.613 -14.055 1.00 4.43 H new ATOM 0 HD1 TYR A 59 12.349 -0.599 -12.108 1.00 0.14 H new ATOM 0 HD2 TYR A 59 10.820 -0.544 -16.084 1.00 63.10 H new ATOM 0 HE1 TYR A 59 14.542 -1.306 -12.959 1.00 12.42 H new ATOM 0 HE2 TYR A 59 13.009 -1.255 -16.937 1.00 21.11 H new ATOM 0 HH TYR A 59 15.094 -1.802 -16.453 1.00 22.42 H new ATOM 931 N ASN A 60 7.852 2.415 -12.632 1.00 21.34 N ATOM 932 CA ASN A 60 6.437 2.754 -12.537 1.00 10.44 C ATOM 933 C ASN A 60 5.584 1.497 -12.403 1.00 35.10 C ATOM 934 O ASN A 60 4.446 1.454 -12.872 1.00 14.23 O ATOM 935 CB ASN A 60 5.999 3.553 -13.766 1.00 42.11 C ATOM 936 CG ASN A 60 7.001 4.627 -14.145 1.00 22.41 C ATOM 937 OD1 ASN A 60 7.715 4.501 -15.140 1.00 4.42 O ATOM 938 ND2 ASN A 60 7.058 5.689 -13.351 1.00 2.33 N ATOM 0 H ASN A 60 8.423 2.768 -11.864 1.00 21.34 H new ATOM 0 HA ASN A 60 6.294 3.365 -11.645 1.00 10.44 H new ATOM 0 HB2 ASN A 60 5.863 2.874 -14.608 1.00 42.11 H new ATOM 0 HB3 ASN A 60 5.032 4.015 -13.570 1.00 42.11 H new ATOM 0 HD21 ASN A 60 7.713 6.444 -13.555 1.00 2.33 H new ATOM 0 HD22 ASN A 60 6.447 5.750 -12.537 1.00 2.33 H new ATOM 945 N ILE A 61 6.141 0.476 -11.760 1.00 74.03 N ATOM 946 CA ILE A 61 5.430 -0.781 -11.563 1.00 61.45 C ATOM 947 C ILE A 61 5.033 -0.966 -10.103 1.00 3.23 C ATOM 948 O ILE A 61 5.889 -1.118 -9.232 1.00 24.01 O ATOM 949 CB ILE A 61 6.282 -1.985 -12.008 1.00 51.02 C ATOM 950 CG1 ILE A 61 7.723 -1.827 -11.518 1.00 14.05 C ATOM 951 CG2 ILE A 61 6.245 -2.129 -13.522 1.00 61.42 C ATOM 952 CD1 ILE A 61 8.606 -3.010 -11.846 1.00 31.21 C ATOM 0 H ILE A 61 7.082 0.495 -11.367 1.00 74.03 H new ATOM 0 HA ILE A 61 4.531 -0.734 -12.178 1.00 61.45 H new ATOM 0 HB ILE A 61 5.865 -2.890 -11.566 1.00 51.02 H new ATOM 0 HG12 ILE A 61 8.153 -0.929 -11.962 1.00 14.05 H new ATOM 0 HG13 ILE A 61 7.717 -1.677 -10.438 1.00 14.05 H new ATOM 0 HG21 ILE A 61 6.852 -2.984 -13.821 1.00 61.42 H new ATOM 0 HG22 ILE A 61 5.216 -2.282 -13.848 1.00 61.42 H new ATOM 0 HG23 ILE A 61 6.641 -1.224 -13.983 1.00 61.42 H new ATOM 0 HD11 ILE A 61 9.612 -2.828 -11.469 1.00 31.21 H new ATOM 0 HD12 ILE A 61 8.200 -3.908 -11.379 1.00 31.21 H new ATOM 0 HD13 ILE A 61 8.643 -3.148 -12.927 1.00 31.21 H new ATOM 964 N GLN A 62 3.730 -0.953 -9.843 1.00 52.51 N ATOM 965 CA GLN A 62 3.220 -1.120 -8.487 1.00 53.54 C ATOM 966 C GLN A 62 1.773 -1.603 -8.506 1.00 4.03 C ATOM 967 O GLN A 62 1.206 -1.857 -9.568 1.00 74.02 O ATOM 968 CB GLN A 62 3.320 0.198 -7.716 1.00 71.33 C ATOM 969 CG GLN A 62 4.692 0.446 -7.111 1.00 62.50 C ATOM 970 CD GLN A 62 4.643 1.374 -5.914 1.00 31.15 C ATOM 971 OE1 GLN A 62 3.591 1.559 -5.300 1.00 45.20 O ATOM 972 NE2 GLN A 62 5.783 1.963 -5.574 1.00 2.51 N ATOM 0 H GLN A 62 3.008 -0.829 -10.553 1.00 52.51 H new ATOM 0 HA GLN A 62 3.829 -1.873 -7.986 1.00 53.54 H new ATOM 0 HB2 GLN A 62 3.074 1.021 -8.387 1.00 71.33 H new ATOM 0 HB3 GLN A 62 2.575 0.201 -6.920 1.00 71.33 H new ATOM 0 HG2 GLN A 62 5.130 -0.506 -6.810 1.00 62.50 H new ATOM 0 HG3 GLN A 62 5.348 0.873 -7.870 1.00 62.50 H new ATOM 0 HE21 GLN A 62 6.631 1.781 -6.111 1.00 2.51 H new ATOM 0 HE22 GLN A 62 5.811 2.598 -4.776 1.00 2.51 H new ATOM 981 N LYS A 63 1.182 -1.729 -7.323 1.00 12.44 N ATOM 982 CA LYS A 63 -0.199 -2.181 -7.201 1.00 51.22 C ATOM 983 C LYS A 63 -0.360 -3.592 -7.757 1.00 54.13 C ATOM 984 O LYS A 63 -0.833 -3.776 -8.878 1.00 63.15 O ATOM 985 CB LYS A 63 -1.138 -1.221 -7.936 1.00 20.21 C ATOM 986 CG LYS A 63 -1.041 0.215 -7.451 1.00 43.05 C ATOM 987 CD LYS A 63 -1.134 1.200 -8.605 1.00 2.03 C ATOM 988 CE LYS A 63 -1.222 2.634 -8.107 1.00 10.53 C ATOM 989 NZ LYS A 63 -2.580 2.959 -7.590 1.00 11.55 N ATOM 0 H LYS A 63 1.638 -1.524 -6.434 1.00 12.44 H new ATOM 0 HA LYS A 63 -0.459 -2.195 -6.143 1.00 51.22 H new ATOM 0 HB2 LYS A 63 -0.913 -1.252 -9.002 1.00 20.21 H new ATOM 0 HB3 LYS A 63 -2.165 -1.567 -7.816 1.00 20.21 H new ATOM 0 HG2 LYS A 63 -1.840 0.414 -6.736 1.00 43.05 H new ATOM 0 HG3 LYS A 63 -0.098 0.359 -6.923 1.00 43.05 H new ATOM 0 HD2 LYS A 63 -0.262 1.090 -9.250 1.00 2.03 H new ATOM 0 HD3 LYS A 63 -2.010 0.970 -9.212 1.00 2.03 H new ATOM 0 HE2 LYS A 63 -0.486 2.790 -7.318 1.00 10.53 H new ATOM 0 HE3 LYS A 63 -0.969 3.316 -8.919 1.00 10.53 H new ATOM 0 HZ1 LYS A 63 -2.609 3.955 -7.292 1.00 11.55 H new ATOM 0 HZ2 LYS A 63 -3.284 2.802 -8.340 1.00 11.55 H new ATOM 0 HZ3 LYS A 63 -2.798 2.348 -6.777 1.00 11.55 H new ATOM 1003 N GLU A 64 0.034 -4.584 -6.965 1.00 71.11 N ATOM 1004 CA GLU A 64 -0.068 -5.978 -7.380 1.00 33.33 C ATOM 1005 C GLU A 64 0.807 -6.249 -8.600 1.00 41.30 C ATOM 1006 O GLU A 64 0.554 -7.180 -9.365 1.00 4.25 O ATOM 1007 CB GLU A 64 -1.523 -6.335 -7.693 1.00 20.12 C ATOM 1008 CG GLU A 64 -2.515 -5.793 -6.678 1.00 2.45 C ATOM 1009 CD GLU A 64 -3.882 -6.437 -6.796 1.00 53.00 C ATOM 1010 OE1 GLU A 64 -4.507 -6.698 -5.747 1.00 15.43 O ATOM 1011 OE2 GLU A 64 -4.327 -6.681 -7.937 1.00 10.10 O ATOM 0 H GLU A 64 0.426 -4.448 -6.033 1.00 71.11 H new ATOM 0 HA GLU A 64 0.283 -6.601 -6.558 1.00 33.33 H new ATOM 0 HB2 GLU A 64 -1.779 -5.949 -8.680 1.00 20.12 H new ATOM 0 HB3 GLU A 64 -1.620 -7.420 -7.740 1.00 20.12 H new ATOM 0 HG2 GLU A 64 -2.126 -5.956 -5.673 1.00 2.45 H new ATOM 0 HG3 GLU A 64 -2.613 -4.716 -6.811 1.00 2.45 H new ATOM 1018 N SER A 65 1.837 -5.427 -8.776 1.00 21.12 N ATOM 1019 CA SER A 65 2.748 -5.574 -9.905 1.00 51.11 C ATOM 1020 C SER A 65 3.245 -7.012 -10.019 1.00 13.01 C ATOM 1021 O SER A 65 3.636 -7.627 -9.026 1.00 73.43 O ATOM 1022 CB SER A 65 3.936 -4.622 -9.756 1.00 24.10 C ATOM 1023 OG SER A 65 3.848 -3.548 -10.676 1.00 13.43 O ATOM 0 H SER A 65 2.061 -4.653 -8.151 1.00 21.12 H new ATOM 0 HA SER A 65 2.203 -5.324 -10.815 1.00 51.11 H new ATOM 0 HB2 SER A 65 3.968 -4.232 -8.739 1.00 24.10 H new ATOM 0 HB3 SER A 65 4.866 -5.168 -9.917 1.00 24.10 H new ATOM 0 HG SER A 65 3.844 -3.900 -11.591 1.00 13.43 H new ATOM 1029 N THR A 66 3.227 -7.543 -11.238 1.00 35.14 N ATOM 1030 CA THR A 66 3.673 -8.908 -11.483 1.00 23.40 C ATOM 1031 C THR A 66 5.189 -8.972 -11.632 1.00 60.53 C ATOM 1032 O THR A 66 5.742 -8.547 -12.648 1.00 33.23 O ATOM 1033 CB THR A 66 3.019 -9.495 -12.748 1.00 50.32 C ATOM 1034 OG1 THR A 66 1.595 -9.516 -12.599 1.00 0.54 O ATOM 1035 CG2 THR A 66 3.526 -10.904 -13.017 1.00 4.54 C ATOM 0 H THR A 66 2.908 -7.048 -12.071 1.00 35.14 H new ATOM 0 HA THR A 66 3.370 -9.499 -10.619 1.00 23.40 H new ATOM 0 HB THR A 66 3.287 -8.862 -13.594 1.00 50.32 H new ATOM 0 HG1 THR A 66 1.187 -9.889 -13.408 1.00 0.54 H new ATOM 0 HG21 THR A 66 3.050 -11.297 -13.915 1.00 4.54 H new ATOM 0 HG22 THR A 66 4.606 -10.881 -13.160 1.00 4.54 H new ATOM 0 HG23 THR A 66 3.286 -11.545 -12.169 1.00 4.54 H new ATOM 1043 N LEU A 67 5.857 -9.507 -10.616 1.00 12.32 N ATOM 1044 CA LEU A 67 7.310 -9.627 -10.634 1.00 65.43 C ATOM 1045 C LEU A 67 7.734 -11.083 -10.805 1.00 51.21 C ATOM 1046 O LEU A 67 6.936 -12.000 -10.608 1.00 52.25 O ATOM 1047 CB LEU A 67 7.906 -9.059 -9.345 1.00 34.33 C ATOM 1048 CG LEU A 67 9.416 -8.822 -9.350 1.00 41.12 C ATOM 1049 CD1 LEU A 67 9.813 -7.935 -10.521 1.00 31.45 C ATOM 1050 CD2 LEU A 67 9.863 -8.203 -8.034 1.00 44.41 C ATOM 0 H LEU A 67 5.415 -9.865 -9.769 1.00 12.32 H new ATOM 0 HA LEU A 67 7.686 -9.055 -11.483 1.00 65.43 H new ATOM 0 HB2 LEU A 67 7.411 -8.113 -9.126 1.00 34.33 H new ATOM 0 HB3 LEU A 67 7.668 -9.740 -8.528 1.00 34.33 H new ATOM 0 HG LEU A 67 9.915 -9.784 -9.464 1.00 41.12 H new ATOM 0 HD11 LEU A 67 10.891 -7.777 -10.509 1.00 31.45 H new ATOM 0 HD12 LEU A 67 9.528 -8.417 -11.456 1.00 31.45 H new ATOM 0 HD13 LEU A 67 9.305 -6.974 -10.439 1.00 31.45 H new ATOM 0 HD21 LEU A 67 10.941 -8.041 -8.055 1.00 44.41 H new ATOM 0 HD22 LEU A 67 9.356 -7.249 -7.890 1.00 44.41 H new ATOM 0 HD23 LEU A 67 9.613 -8.875 -7.213 1.00 44.41 H new ATOM 1062 N HIS A 68 8.995 -11.288 -11.170 1.00 45.25 N ATOM 1063 CA HIS A 68 9.526 -12.632 -11.365 1.00 22.41 C ATOM 1064 C HIS A 68 10.715 -12.886 -10.443 1.00 0.22 C ATOM 1065 O HIS A 68 11.669 -12.109 -10.417 1.00 63.23 O ATOM 1066 CB HIS A 68 9.944 -12.833 -12.822 1.00 2.31 C ATOM 1067 CG HIS A 68 8.864 -12.504 -13.806 1.00 11.53 C ATOM 1068 ND1 HIS A 68 8.226 -13.457 -14.570 1.00 63.45 N ATOM 1069 CD2 HIS A 68 8.308 -11.317 -14.146 1.00 62.22 C ATOM 1070 CE1 HIS A 68 7.326 -12.872 -15.340 1.00 43.12 C ATOM 1071 NE2 HIS A 68 7.356 -11.573 -15.102 1.00 34.14 N ATOM 0 H HIS A 68 9.668 -10.540 -11.337 1.00 45.25 H new ATOM 0 HA HIS A 68 8.739 -13.345 -11.119 1.00 22.41 H new ATOM 0 HB2 HIS A 68 10.815 -12.212 -13.030 1.00 2.31 H new ATOM 0 HB3 HIS A 68 10.250 -13.870 -12.964 1.00 2.31 H new ATOM 0 HD2 HIS A 68 8.565 -10.349 -13.741 1.00 62.22 H new ATOM 0 HE1 HIS A 68 6.676 -13.371 -16.044 1.00 43.12 H new ATOM 0 HE2 HIS A 68 6.768 -10.874 -15.555 1.00 34.14 H new ATOM 1079 N MET A 69 10.649 -13.977 -9.687 1.00 3.12 N ATOM 1080 CA MET A 69 11.721 -14.332 -8.764 1.00 31.23 C ATOM 1081 C MET A 69 12.276 -15.717 -9.082 1.00 42.33 C ATOM 1082 O MET A 69 11.523 -16.649 -9.363 1.00 70.02 O ATOM 1083 CB MET A 69 11.214 -14.293 -7.321 1.00 11.22 C ATOM 1084 CG MET A 69 12.203 -14.858 -6.314 1.00 15.54 C ATOM 1085 SD MET A 69 11.550 -14.872 -4.633 1.00 2.42 S ATOM 1086 CE MET A 69 12.302 -16.365 -3.990 1.00 41.13 C ATOM 0 H MET A 69 9.865 -14.630 -9.695 1.00 3.12 H new ATOM 0 HA MET A 69 12.523 -13.603 -8.880 1.00 31.23 H new ATOM 0 HB2 MET A 69 10.984 -13.262 -7.053 1.00 11.22 H new ATOM 0 HB3 MET A 69 10.282 -14.854 -7.257 1.00 11.22 H new ATOM 0 HG2 MET A 69 12.471 -15.874 -6.604 1.00 15.54 H new ATOM 0 HG3 MET A 69 13.119 -14.267 -6.339 1.00 15.54 H new ATOM 0 HE1 MET A 69 12.476 -16.253 -2.920 1.00 41.13 H new ATOM 0 HE2 MET A 69 11.637 -17.211 -4.163 1.00 41.13 H new ATOM 0 HE3 MET A 69 13.252 -16.541 -4.495 1.00 41.13 H new ATOM 1096 N VAL A 70 13.599 -15.844 -9.037 1.00 14.10 N ATOM 1097 CA VAL A 70 14.255 -17.115 -9.320 1.00 55.11 C ATOM 1098 C VAL A 70 14.919 -17.681 -8.070 1.00 53.00 C ATOM 1099 O VAL A 70 15.810 -17.059 -7.491 1.00 42.52 O ATOM 1100 CB VAL A 70 15.314 -16.965 -10.428 1.00 20.20 C ATOM 1101 CG1 VAL A 70 14.648 -16.742 -11.777 1.00 41.51 C ATOM 1102 CG2 VAL A 70 16.270 -15.828 -10.101 1.00 14.34 C ATOM 0 H VAL A 70 14.237 -15.082 -8.807 1.00 14.10 H new ATOM 0 HA VAL A 70 13.480 -17.803 -9.659 1.00 55.11 H new ATOM 0 HB VAL A 70 15.890 -17.889 -10.483 1.00 20.20 H new ATOM 0 HG11 VAL A 70 15.412 -16.638 -12.547 1.00 41.51 H new ATOM 0 HG12 VAL A 70 14.009 -17.593 -12.012 1.00 41.51 H new ATOM 0 HG13 VAL A 70 14.045 -15.835 -11.740 1.00 41.51 H new ATOM 0 HG21 VAL A 70 17.012 -15.736 -10.895 1.00 14.34 H new ATOM 0 HG22 VAL A 70 15.711 -14.896 -10.017 1.00 14.34 H new ATOM 0 HG23 VAL A 70 16.773 -16.036 -9.157 1.00 14.34 H new ATOM 1112 N LEU A 71 14.480 -18.865 -7.658 1.00 75.13 N ATOM 1113 CA LEU A 71 15.032 -19.517 -6.476 1.00 32.11 C ATOM 1114 C LEU A 71 16.185 -20.441 -6.852 1.00 65.25 C ATOM 1115 O LEU A 71 16.013 -21.381 -7.628 1.00 72.34 O ATOM 1116 CB LEU A 71 13.943 -20.311 -5.752 1.00 1.14 C ATOM 1117 CG LEU A 71 12.995 -19.499 -4.869 1.00 1.52 C ATOM 1118 CD1 LEU A 71 11.659 -20.211 -4.723 1.00 43.22 C ATOM 1119 CD2 LEU A 71 13.620 -19.249 -3.504 1.00 11.31 C ATOM 0 H LEU A 71 13.743 -19.393 -8.125 1.00 75.13 H new ATOM 0 HA LEU A 71 15.413 -18.743 -5.810 1.00 32.11 H new ATOM 0 HB2 LEU A 71 13.349 -20.839 -6.498 1.00 1.14 H new ATOM 0 HB3 LEU A 71 14.424 -21.068 -5.133 1.00 1.14 H new ATOM 0 HG LEU A 71 12.819 -18.536 -5.348 1.00 1.52 H new ATOM 0 HD11 LEU A 71 10.998 -19.618 -4.091 1.00 43.22 H new ATOM 0 HD12 LEU A 71 11.205 -20.337 -5.706 1.00 43.22 H new ATOM 0 HD13 LEU A 71 11.816 -21.189 -4.267 1.00 43.22 H new ATOM 0 HD21 LEU A 71 12.931 -18.670 -2.889 1.00 11.31 H new ATOM 0 HD22 LEU A 71 13.826 -20.203 -3.018 1.00 11.31 H new ATOM 0 HD23 LEU A 71 14.551 -18.695 -3.626 1.00 11.31 H new ATOM 1131 N ARG A 72 17.361 -20.168 -6.296 1.00 62.42 N ATOM 1132 CA ARG A 72 18.543 -20.976 -6.573 1.00 1.11 C ATOM 1133 C ARG A 72 19.277 -21.325 -5.282 1.00 22.43 C ATOM 1134 O ARG A 72 19.344 -20.517 -4.355 1.00 23.14 O ATOM 1135 CB ARG A 72 19.484 -20.232 -7.522 1.00 4.10 C ATOM 1136 CG ARG A 72 19.733 -20.964 -8.831 1.00 2.14 C ATOM 1137 CD ARG A 72 20.088 -19.998 -9.950 1.00 63.13 C ATOM 1138 NE ARG A 72 20.046 -20.640 -11.261 1.00 70.52 N ATOM 1139 CZ ARG A 72 18.920 -20.907 -11.913 1.00 53.52 C ATOM 1140 NH1 ARG A 72 17.749 -20.587 -11.379 1.00 1.30 N ATOM 1141 NH2 ARG A 72 18.963 -21.493 -13.103 1.00 31.24 N ATOM 0 H ARG A 72 17.521 -19.394 -5.651 1.00 62.42 H new ATOM 0 HA ARG A 72 18.217 -21.902 -7.047 1.00 1.11 H new ATOM 0 HB2 ARG A 72 19.065 -19.249 -7.739 1.00 4.10 H new ATOM 0 HB3 ARG A 72 20.438 -20.068 -7.020 1.00 4.10 H new ATOM 0 HG2 ARG A 72 20.542 -21.683 -8.699 1.00 2.14 H new ATOM 0 HG3 ARG A 72 18.844 -21.531 -9.107 1.00 2.14 H new ATOM 0 HD2 ARG A 72 19.395 -19.157 -9.936 1.00 63.13 H new ATOM 0 HD3 ARG A 72 21.085 -19.593 -9.777 1.00 63.13 H new ATOM 0 HE ARG A 72 20.930 -20.898 -11.700 1.00 70.52 H new ATOM 0 HH11 ARG A 72 17.712 -20.135 -10.466 1.00 1.30 H new ATOM 0 HH12 ARG A 72 16.886 -20.793 -11.882 1.00 1.30 H new ATOM 0 HH21 ARG A 72 19.862 -21.739 -13.518 1.00 31.24 H new ATOM 0 HH22 ARG A 72 18.097 -21.697 -13.602 1.00 31.24 H new ATOM 1155 N LEU A 73 19.826 -22.534 -5.228 1.00 33.11 N ATOM 1156 CA LEU A 73 20.555 -22.992 -4.050 1.00 51.41 C ATOM 1157 C LEU A 73 22.057 -23.015 -4.315 1.00 31.03 C ATOM 1158 O LEU A 73 22.500 -22.838 -5.450 1.00 21.14 O ATOM 1159 CB LEU A 73 20.076 -24.385 -3.639 1.00 22.10 C ATOM 1160 CG LEU A 73 18.661 -24.467 -3.066 1.00 11.40 C ATOM 1161 CD1 LEU A 73 18.037 -25.819 -3.374 1.00 43.02 C ATOM 1162 CD2 LEU A 73 18.678 -24.215 -1.565 1.00 53.54 C ATOM 0 H LEU A 73 19.780 -23.215 -5.986 1.00 33.11 H new ATOM 0 HA LEU A 73 20.359 -22.293 -3.237 1.00 51.41 H new ATOM 0 HB2 LEU A 73 20.132 -25.038 -4.510 1.00 22.10 H new ATOM 0 HB3 LEU A 73 20.770 -24.782 -2.898 1.00 22.10 H new ATOM 0 HG LEU A 73 18.054 -23.694 -3.538 1.00 11.40 H new ATOM 0 HD11 LEU A 73 17.030 -25.858 -2.958 1.00 43.02 H new ATOM 0 HD12 LEU A 73 17.989 -25.960 -4.454 1.00 43.02 H new ATOM 0 HD13 LEU A 73 18.644 -26.609 -2.931 1.00 43.02 H new ATOM 0 HD21 LEU A 73 17.662 -24.277 -1.174 1.00 53.54 H new ATOM 0 HD22 LEU A 73 19.301 -24.965 -1.077 1.00 53.54 H new ATOM 0 HD23 LEU A 73 19.083 -23.222 -1.367 1.00 53.54 H new ATOM 1174 N ARG A 74 22.835 -23.236 -3.260 1.00 71.52 N ATOM 1175 CA ARG A 74 24.287 -23.284 -3.379 1.00 22.31 C ATOM 1176 C ARG A 74 24.776 -24.725 -3.491 1.00 25.33 C ATOM 1177 O ARG A 74 25.433 -25.095 -4.463 1.00 5.10 O ATOM 1178 CB ARG A 74 24.941 -22.604 -2.175 1.00 22.44 C ATOM 1179 CG ARG A 74 26.459 -22.563 -2.248 1.00 72.23 C ATOM 1180 CD ARG A 74 27.084 -22.573 -0.862 1.00 44.13 C ATOM 1181 NE ARG A 74 28.386 -21.910 -0.844 1.00 54.04 N ATOM 1182 CZ ARG A 74 29.252 -22.018 0.157 1.00 73.11 C ATOM 1183 NH1 ARG A 74 28.957 -22.759 1.216 1.00 73.21 N ATOM 1184 NH2 ARG A 74 30.416 -21.384 0.100 1.00 61.42 N ATOM 0 H ARG A 74 22.484 -23.385 -2.314 1.00 71.52 H new ATOM 0 HA ARG A 74 24.570 -22.751 -4.287 1.00 22.31 H new ATOM 0 HB2 ARG A 74 24.562 -21.585 -2.094 1.00 22.44 H new ATOM 0 HB3 ARG A 74 24.644 -23.128 -1.267 1.00 22.44 H new ATOM 0 HG2 ARG A 74 26.820 -23.419 -2.817 1.00 72.23 H new ATOM 0 HG3 ARG A 74 26.774 -21.668 -2.784 1.00 72.23 H new ATOM 0 HD2 ARG A 74 26.415 -22.077 -0.159 1.00 44.13 H new ATOM 0 HD3 ARG A 74 27.197 -23.603 -0.523 1.00 44.13 H new ATOM 0 HE ARG A 74 28.644 -21.333 -1.644 1.00 54.04 H new ATOM 0 HH11 ARG A 74 28.063 -23.248 1.263 1.00 73.21 H new ATOM 0 HH12 ARG A 74 29.624 -22.840 1.983 1.00 73.21 H new ATOM 0 HH21 ARG A 74 30.646 -20.813 -0.713 1.00 61.42 H new ATOM 0 HH22 ARG A 74 31.080 -21.468 0.869 1.00 61.42 H new ATOM 1198 N GLY A 75 24.451 -25.535 -2.487 1.00 44.03 N ATOM 1199 CA GLY A 75 24.866 -26.926 -2.492 1.00 43.41 C ATOM 1200 C GLY A 75 23.943 -27.809 -1.677 1.00 53.01 C ATOM 1201 O GLY A 75 23.259 -28.675 -2.222 1.00 43.43 O ATOM 0 H GLY A 75 23.908 -25.253 -1.671 1.00 44.03 H new ATOM 0 HA2 GLY A 75 24.897 -27.289 -3.519 1.00 43.41 H new ATOM 0 HA3 GLY A 75 25.879 -27.001 -2.096 1.00 43.41 H new ATOM 1205 N GLY A 76 23.923 -27.592 -0.365 1.00 51.54 N ATOM 1206 CA GLY A 76 23.074 -28.384 0.505 1.00 3.22 C ATOM 1207 C GLY A 76 21.834 -27.633 0.946 1.00 53.40 C ATOM 1208 O GLY A 76 21.768 -26.409 0.832 1.00 1.34 O ATOM 0 H GLY A 76 24.480 -26.882 0.110 1.00 51.54 H new ATOM 0 HA2 GLY A 76 22.777 -29.296 -0.014 1.00 3.22 H new ATOM 0 HA3 GLY A 76 23.643 -28.688 1.384 1.00 3.22 H new TER 1212 GLY A 76