USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 129:sc= 1.2 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.02 USER MOD Set 2.1: A 7 THR OG1 : rot 123:sc= 1.02 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0235) USER MOD Single : A 1 MET N :NH3+ 140:sc= 1.18 (180deg=0.979) USER MOD Single : A 2 GLN : amide:sc= -0.0375 X(o=-0.038,f=-0.049) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0.554 (180deg=0.459) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 2.51 (180deg=2.42) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00243 K(o=-0.0024,f=-0.63) USER MOD Single : A 41 GLN : amide:sc= 0.0971 K(o=0.097,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.563 K(o=-0.56,f=-1.4) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.974 USER MOD Single : A 60 ASN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 112:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00915 X(o=-0.0091,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.085 3.741 -2.480 1.00 9.67 N ATOM 2 CA MET A 1 -12.808 4.297 -1.137 1.00 10.38 C ATOM 3 C MET A 1 -11.403 4.684 -0.826 1.00 9.62 C ATOM 4 O MET A 1 -10.472 4.223 -1.486 1.00 9.62 O ATOM 5 CB MET A 1 -13.407 3.388 -0.051 1.00 13.77 C ATOM 6 CG MET A 1 -12.845 1.966 0.005 1.00 16.29 C ATOM 7 SD MET A 1 -11.212 1.614 0.723 1.00 17.17 S ATOM 8 CE MET A 1 -10.917 -0.144 0.378 1.00 16.11 C ATOM 0 H1 MET A 1 -13.764 2.957 -2.398 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.486 4.484 -3.087 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.200 3.390 -2.900 1.00 9.67 H new ATOM 0 HA MET A 1 -13.309 5.265 -1.147 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.251 3.860 0.919 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.484 3.328 -0.206 1.00 13.77 H new ATOM 0 HG2 MET A 1 -13.568 1.362 0.553 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.827 1.592 -1.019 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.918 -0.419 0.718 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.658 -0.747 0.903 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.997 -0.323 -0.694 1.00 16.11 H new ATOM 20 N GLN A 2 -11.255 5.711 0.029 1.00 9.27 N ATOM 21 CA GLN A 2 -10.008 6.400 0.153 1.00 9.07 C ATOM 22 C GLN A 2 -9.199 5.809 1.256 1.00 8.72 C ATOM 23 O GLN A 2 -9.655 5.851 2.397 1.00 8.22 O ATOM 24 CB GLN A 2 -10.217 7.911 0.353 1.00 14.46 C ATOM 25 CG GLN A 2 -10.907 8.486 -0.885 1.00 17.01 C ATOM 26 CD GLN A 2 -10.955 10.007 -0.839 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.552 10.744 -1.737 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.637 10.520 0.220 1.00 19.49 N ATOM 0 H GLN A 2 -11.997 6.064 0.633 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.455 6.277 -0.778 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.823 8.093 1.241 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.259 8.406 0.514 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.377 8.164 -1.781 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.920 8.091 -0.955 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.968 9.902 0.961 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.817 11.523 0.273 1.00 19.49 H new ATOM 37 N ILE A 3 -7.958 5.341 1.034 1.00 5.87 N ATOM 38 CA ILE A 3 -6.982 5.023 2.031 1.00 5.07 C ATOM 39 C ILE A 3 -6.119 6.213 2.276 1.00 4.01 C ATOM 40 O ILE A 3 -6.143 7.284 1.671 1.00 4.61 O ATOM 41 CB ILE A 3 -6.225 3.777 1.681 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.541 3.798 0.303 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.158 2.566 1.852 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.707 2.568 -0.051 1.00 10.83 C ATOM 0 H ILE A 3 -7.612 5.173 0.089 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.477 4.789 2.974 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.387 3.705 2.374 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.310 3.923 -0.460 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.897 4.676 0.253 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.619 1.653 1.600 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.499 2.513 2.886 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.018 2.673 1.191 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.274 2.695 -1.043 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.908 2.447 0.681 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.343 1.683 -0.043 1.00 10.83 H new ATOM 56 N PHE A 4 -5.284 6.086 3.323 1.00 4.55 N ATOM 57 CA PHE A 4 -4.198 6.931 3.710 1.00 4.68 C ATOM 58 C PHE A 4 -2.941 6.141 3.580 1.00 5.30 C ATOM 59 O PHE A 4 -2.585 5.275 4.378 1.00 5.58 O ATOM 60 CB PHE A 4 -4.335 7.398 5.169 1.00 4.83 C ATOM 61 CG PHE A 4 -5.566 8.223 5.330 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.870 9.218 4.430 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.375 8.087 6.433 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.952 10.046 4.610 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.404 8.969 6.666 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.753 9.901 5.718 1.00 8.90 C ATOM 0 H PHE A 4 -5.385 5.302 3.968 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.192 7.815 3.072 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.377 6.534 5.833 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.459 7.979 5.457 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.243 9.352 3.561 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.200 7.277 7.126 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.173 10.811 3.881 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.942 8.929 7.601 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.638 10.507 5.841 1.00 8.90 H new ATOM 76 N VAL A 5 -2.084 6.530 2.619 1.00 4.44 N ATOM 77 CA VAL A 5 -0.774 5.972 2.490 1.00 3.87 C ATOM 78 C VAL A 5 0.150 7.029 2.990 1.00 4.93 C ATOM 79 O VAL A 5 0.191 8.112 2.408 1.00 6.84 O ATOM 80 CB VAL A 5 -0.464 5.682 1.052 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.964 5.133 0.888 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.384 4.577 0.506 1.00 9.13 C ATOM 0 H VAL A 5 -2.303 7.242 1.922 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.682 5.036 3.041 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.596 6.624 0.520 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.158 4.933 -0.166 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.681 5.867 1.256 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.066 4.209 1.458 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.140 4.384 -0.539 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.242 3.665 1.086 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.423 4.898 0.583 1.00 9.13 H new ATOM 92 N LYS A 6 0.895 6.711 4.064 1.00 6.04 N ATOM 93 CA LYS A 6 1.922 7.475 4.701 1.00 6.12 C ATOM 94 C LYS A 6 3.291 7.080 4.265 1.00 6.57 C ATOM 95 O LYS A 6 3.817 6.010 4.567 1.00 5.76 O ATOM 96 CB LYS A 6 1.705 7.376 6.220 1.00 7.45 C ATOM 97 CG LYS A 6 2.630 8.264 7.055 1.00 11.12 C ATOM 98 CD LYS A 6 2.134 8.432 8.492 1.00 14.54 C ATOM 99 CE LYS A 6 3.194 8.431 9.596 1.00 18.84 C ATOM 100 NZ LYS A 6 2.528 8.691 10.891 1.00 20.55 N ATOM 0 H LYS A 6 0.759 5.817 4.536 1.00 6.04 H new ATOM 0 HA LYS A 6 1.850 8.520 4.399 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.671 7.639 6.444 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.844 6.339 6.527 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.631 7.832 7.067 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.711 9.244 6.584 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.582 9.370 8.553 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.425 7.631 8.702 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.711 7.472 9.623 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.947 9.194 9.398 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 3.237 8.693 11.652 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 2.053 9.616 10.858 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.825 7.947 11.075 1.00 20.55 H new ATOM 114 N THR A 7 3.966 8.005 3.559 1.00 7.41 N ATOM 115 CA THR A 7 5.326 7.761 3.189 1.00 7.48 C ATOM 116 C THR A 7 6.374 7.680 4.245 1.00 8.75 C ATOM 117 O THR A 7 6.178 8.070 5.395 1.00 8.58 O ATOM 118 CB THR A 7 5.880 8.455 1.980 1.00 9.61 C ATOM 119 OG1 THR A 7 6.044 9.833 2.281 1.00 11.78 O ATOM 120 CG2 THR A 7 4.814 8.426 0.872 1.00 9.17 C ATOM 0 H THR A 7 3.583 8.899 3.251 1.00 7.41 H new ATOM 0 HA THR A 7 5.109 6.732 2.902 1.00 7.48 H new ATOM 0 HB THR A 7 6.813 7.973 1.687 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.979 10.090 2.139 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.199 8.927 -0.016 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.570 7.392 0.629 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.916 8.939 1.217 1.00 9.17 H new ATOM 128 N LEU A 8 7.559 7.099 3.985 1.00 9.84 N ATOM 129 CA LEU A 8 8.678 6.886 4.849 1.00 14.15 C ATOM 130 C LEU A 8 9.288 8.218 5.121 1.00 17.37 C ATOM 131 O LEU A 8 9.760 8.499 6.221 1.00 17.01 O ATOM 132 CB LEU A 8 9.716 5.900 4.285 1.00 16.63 C ATOM 133 CG LEU A 8 10.813 5.479 5.276 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.211 4.908 6.571 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.771 4.500 4.575 1.00 19.31 C ATOM 0 H LEU A 8 7.752 6.735 3.052 1.00 9.84 H new ATOM 0 HA LEU A 8 8.327 6.417 5.768 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.196 5.006 3.939 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.188 6.352 3.413 1.00 16.63 H new ATOM 0 HG LEU A 8 11.388 6.353 5.584 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.014 4.620 7.250 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.587 5.665 7.047 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.604 4.034 6.336 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.553 4.196 5.270 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.216 3.621 4.245 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.223 4.989 3.712 1.00 19.31 H new ATOM 147 N THR A 9 9.244 9.114 4.119 1.00 18.33 N ATOM 148 CA THR A 9 9.605 10.491 4.256 1.00 19.24 C ATOM 149 C THR A 9 8.612 11.200 5.112 1.00 19.48 C ATOM 150 O THR A 9 9.029 11.833 6.080 1.00 23.14 O ATOM 151 CB THR A 9 9.791 11.201 2.949 1.00 18.97 C ATOM 152 OG1 THR A 9 8.842 10.924 1.929 1.00 20.24 O ATOM 153 CG2 THR A 9 11.116 10.710 2.341 1.00 19.70 C ATOM 0 H THR A 9 8.945 8.869 3.175 1.00 18.33 H new ATOM 0 HA THR A 9 10.582 10.508 4.740 1.00 19.24 H new ATOM 0 HB THR A 9 9.717 12.257 3.207 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.063 11.443 1.127 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.284 11.207 1.386 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.936 10.942 3.020 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.068 9.632 2.185 1.00 19.70 H new ATOM 161 N GLY A 10 7.309 11.330 4.806 1.00 19.43 N ATOM 162 CA GLY A 10 6.380 12.163 5.504 1.00 18.74 C ATOM 163 C GLY A 10 5.375 12.831 4.629 1.00 17.62 C ATOM 164 O GLY A 10 5.132 14.030 4.752 1.00 19.74 O ATOM 0 H GLY A 10 6.881 10.826 4.029 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.855 11.560 6.245 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.934 12.927 6.049 1.00 18.74 H new ATOM 168 N LYS A 11 4.726 12.128 3.683 1.00 13.56 N ATOM 169 CA LYS A 11 3.525 12.612 3.076 1.00 11.91 C ATOM 170 C LYS A 11 2.404 11.635 3.162 1.00 10.18 C ATOM 171 O LYS A 11 2.553 10.421 3.033 1.00 9.10 O ATOM 172 CB LYS A 11 3.871 12.839 1.595 1.00 13.43 C ATOM 173 CG LYS A 11 4.407 14.260 1.409 1.00 16.69 C ATOM 174 CD LYS A 11 4.993 14.487 0.014 1.00 17.92 C ATOM 175 CE LYS A 11 3.996 14.322 -1.135 1.00 20.81 C ATOM 176 NZ LYS A 11 4.654 14.413 -2.458 1.00 21.93 N ATOM 0 H LYS A 11 5.035 11.220 3.337 1.00 13.56 H new ATOM 0 HA LYS A 11 3.192 13.515 3.589 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.615 12.112 1.269 1.00 13.43 H new ATOM 0 HB3 LYS A 11 2.986 12.689 0.976 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.602 14.974 1.582 1.00 16.69 H new ATOM 0 HG3 LYS A 11 5.174 14.457 2.158 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.413 15.492 -0.029 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.818 13.790 -0.136 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.495 13.358 -1.045 1.00 20.81 H new ATOM 0 HE3 LYS A 11 3.226 15.090 -1.060 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.952 14.245 -3.207 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.067 15.360 -2.576 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.406 13.697 -2.522 1.00 21.93 H new ATOM 190 N THR A 12 1.174 12.060 3.503 1.00 9.63 N ATOM 191 CA THR A 12 0.001 11.252 3.635 1.00 9.85 C ATOM 192 C THR A 12 -0.844 11.544 2.443 1.00 11.66 C ATOM 193 O THR A 12 -1.240 12.694 2.259 1.00 12.33 O ATOM 194 CB THR A 12 -0.795 11.470 4.887 1.00 10.85 C ATOM 195 OG1 THR A 12 0.087 11.213 5.970 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.027 10.562 5.037 1.00 9.63 C ATOM 0 H THR A 12 0.987 13.043 3.701 1.00 9.63 H new ATOM 0 HA THR A 12 0.320 10.212 3.701 1.00 9.85 H new ATOM 0 HB THR A 12 -1.184 12.488 4.859 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.388 11.344 6.817 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.538 10.793 5.972 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.706 10.729 4.201 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.711 9.519 5.045 1.00 9.63 H new ATOM 204 N ILE A 13 -1.049 10.559 1.550 1.00 10.42 N ATOM 205 CA ILE A 13 -1.765 10.550 0.313 1.00 11.84 C ATOM 206 C ILE A 13 -3.129 9.993 0.538 1.00 10.55 C ATOM 207 O ILE A 13 -3.247 8.877 1.040 1.00 11.92 O ATOM 208 CB ILE A 13 -1.039 9.841 -0.792 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.335 10.459 -1.101 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.856 9.775 -2.094 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.361 9.369 -1.408 1.00 16.46 C ATOM 0 H ILE A 13 -0.651 9.637 1.728 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.851 11.581 -0.030 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.891 8.829 -0.414 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.252 11.137 -1.951 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.671 11.053 -0.251 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.281 9.251 -2.858 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.789 9.241 -1.912 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.078 10.786 -2.436 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.326 9.828 -1.624 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.458 8.708 -0.547 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.032 8.793 -2.273 1.00 16.46 H new ATOM 223 N THR A 14 -4.143 10.740 0.065 1.00 9.39 N ATOM 224 CA THR A 14 -5.500 10.324 0.244 1.00 9.63 C ATOM 225 C THR A 14 -5.886 9.670 -1.038 1.00 11.20 C ATOM 226 O THR A 14 -6.135 10.256 -2.091 1.00 11.63 O ATOM 227 CB THR A 14 -6.453 11.429 0.593 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.049 12.025 1.817 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.911 10.996 0.821 1.00 11.66 C ATOM 0 H THR A 14 -4.026 11.621 -0.435 1.00 9.39 H new ATOM 0 HA THR A 14 -5.562 9.654 1.101 1.00 9.63 H new ATOM 0 HB THR A 14 -6.422 12.093 -0.270 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.668 12.749 2.048 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.516 11.869 1.067 1.00 11.66 H new ATOM 0 HG22 THR A 14 -8.298 10.530 -0.085 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.954 10.281 1.643 1.00 11.66 H new ATOM 237 N LEU A 15 -5.908 8.326 -1.014 1.00 8.29 N ATOM 238 CA LEU A 15 -5.735 7.583 -2.224 1.00 9.03 C ATOM 239 C LEU A 15 -6.930 6.734 -2.491 1.00 8.59 C ATOM 240 O LEU A 15 -7.300 5.847 -1.724 1.00 7.79 O ATOM 241 CB LEU A 15 -4.495 6.675 -2.168 1.00 11.08 C ATOM 242 CG LEU A 15 -3.990 6.079 -3.493 1.00 15.79 C ATOM 243 CD1 LEU A 15 -3.212 7.132 -4.299 1.00 15.27 C ATOM 244 CD2 LEU A 15 -3.123 4.863 -3.126 1.00 15.88 C ATOM 0 H LEU A 15 -6.043 7.762 -0.175 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.602 8.312 -3.024 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.680 7.246 -1.724 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.713 5.850 -1.490 1.00 11.08 H new ATOM 0 HG LEU A 15 -4.815 5.766 -4.133 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -2.863 6.691 -5.233 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.864 7.977 -4.518 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.356 7.476 -3.718 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.739 4.402 -4.036 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.289 5.186 -2.503 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.726 4.138 -2.579 1.00 15.88 H new ATOM 256 N GLU A 16 -7.461 6.984 -3.702 1.00 11.04 N ATOM 257 CA GLU A 16 -8.661 6.320 -4.106 1.00 11.50 C ATOM 258 C GLU A 16 -8.470 4.932 -4.615 1.00 10.13 C ATOM 259 O GLU A 16 -7.886 4.702 -5.673 1.00 9.83 O ATOM 260 CB GLU A 16 -9.446 7.201 -5.091 1.00 17.22 C ATOM 261 CG GLU A 16 -9.866 8.531 -4.462 1.00 23.33 C ATOM 262 CD GLU A 16 -10.347 9.429 -5.592 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.213 8.975 -6.387 1.00 28.86 O ATOM 264 OE2 GLU A 16 -9.846 10.581 -5.684 1.00 28.90 O ATOM 0 H GLU A 16 -7.070 7.631 -4.387 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.252 6.182 -3.201 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.834 7.394 -5.972 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.332 6.665 -5.430 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.658 8.377 -3.729 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.029 8.989 -3.936 1.00 23.33 H new ATOM 271 N VAL A 17 -8.984 3.925 -3.887 1.00 8.99 N ATOM 272 CA VAL A 17 -8.869 2.571 -4.334 1.00 8.85 C ATOM 273 C VAL A 17 -10.160 1.840 -4.197 1.00 8.04 C ATOM 274 O VAL A 17 -11.074 2.152 -3.435 1.00 8.99 O ATOM 275 CB VAL A 17 -7.882 1.841 -3.472 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.454 2.347 -3.740 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.195 2.117 -1.992 1.00 10.54 C ATOM 0 H VAL A 17 -9.473 4.045 -3.000 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.561 2.604 -5.379 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.953 0.778 -3.700 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.751 1.806 -3.106 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.200 2.181 -4.787 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.398 3.413 -3.517 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.479 1.587 -1.364 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.125 3.187 -1.799 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.203 1.772 -1.763 1.00 10.54 H new ATOM 287 N GLU A 18 -10.298 0.785 -5.019 1.00 7.29 N ATOM 288 CA GLU A 18 -11.449 -0.054 -4.891 1.00 7.08 C ATOM 289 C GLU A 18 -11.131 -1.175 -3.962 1.00 6.45 C ATOM 290 O GLU A 18 -9.937 -1.375 -3.746 1.00 5.28 O ATOM 291 CB GLU A 18 -11.920 -0.709 -6.200 1.00 10.28 C ATOM 292 CG GLU A 18 -12.492 0.375 -7.116 1.00 12.65 C ATOM 293 CD GLU A 18 -13.664 1.022 -6.391 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.700 0.371 -6.092 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.555 2.181 -5.907 1.00 14.33 O ATOM 0 H GLU A 18 -9.638 0.518 -5.749 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.242 0.605 -4.537 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.088 -1.216 -6.689 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.677 -1.466 -5.992 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.730 1.118 -7.351 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.819 -0.057 -8.062 1.00 12.65 H new ATOM 302 N PRO A 19 -11.988 -1.894 -3.299 1.00 7.24 N ATOM 303 CA PRO A 19 -11.563 -2.943 -2.419 1.00 7.07 C ATOM 304 C PRO A 19 -11.261 -4.276 -3.013 1.00 6.65 C ATOM 305 O PRO A 19 -10.558 -5.054 -2.371 1.00 6.37 O ATOM 306 CB PRO A 19 -12.703 -3.003 -1.405 1.00 7.61 C ATOM 307 CG PRO A 19 -13.920 -2.693 -2.291 1.00 8.16 C ATOM 308 CD PRO A 19 -13.371 -1.496 -3.083 1.00 7.49 C ATOM 0 HA PRO A 19 -10.580 -2.707 -2.012 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.779 -3.982 -0.932 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.580 -2.271 -0.606 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.192 -3.530 -2.934 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.806 -2.438 -1.709 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.905 -1.346 -4.021 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.446 -0.565 -2.522 1.00 7.49 H new ATOM 316 N SER A 20 -11.824 -4.547 -4.204 1.00 6.80 N ATOM 317 CA SER A 20 -11.710 -5.811 -4.863 1.00 6.28 C ATOM 318 C SER A 20 -10.493 -5.958 -5.711 1.00 8.45 C ATOM 319 O SER A 20 -10.459 -6.863 -6.543 1.00 7.26 O ATOM 320 CB SER A 20 -12.877 -5.938 -5.856 1.00 8.57 C ATOM 321 OG SER A 20 -14.063 -5.752 -5.098 1.00 11.13 O ATOM 0 H SER A 20 -12.376 -3.865 -4.725 1.00 6.80 H new ATOM 0 HA SER A 20 -11.686 -6.554 -4.066 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.799 -5.191 -6.646 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.873 -6.915 -6.339 1.00 8.57 H new ATOM 0 HG SER A 20 -14.843 -5.822 -5.688 1.00 11.13 H new ATOM 327 N ASP A 21 -9.492 -5.071 -5.572 1.00 7.50 N ATOM 328 CA ASP A 21 -8.237 -4.893 -6.234 1.00 7.70 C ATOM 329 C ASP A 21 -7.097 -5.214 -5.330 1.00 7.08 C ATOM 330 O ASP A 21 -7.255 -5.143 -4.113 1.00 8.11 O ATOM 331 CB ASP A 21 -8.118 -3.443 -6.734 1.00 11.00 C ATOM 332 CG ASP A 21 -8.776 -3.178 -8.081 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.907 -4.124 -8.903 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.197 -2.021 -8.350 1.00 14.36 O ATOM 0 H ASP A 21 -9.592 -4.348 -4.859 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.197 -5.578 -7.081 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.562 -2.780 -5.992 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.062 -3.183 -6.803 1.00 11.00 H new ATOM 339 N THR A 22 -5.983 -5.649 -5.945 1.00 5.37 N ATOM 340 CA THR A 22 -4.743 -6.080 -5.378 1.00 6.01 C ATOM 341 C THR A 22 -3.905 -4.952 -4.882 1.00 8.01 C ATOM 342 O THR A 22 -4.007 -3.758 -5.162 1.00 8.11 O ATOM 343 CB THR A 22 -3.921 -6.970 -6.262 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.462 -6.310 -7.432 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.822 -8.107 -6.774 1.00 9.65 C ATOM 0 H THR A 22 -5.952 -5.704 -6.963 1.00 5.37 H new ATOM 0 HA THR A 22 -5.060 -6.685 -4.528 1.00 6.01 H new ATOM 0 HB THR A 22 -3.071 -7.305 -5.667 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.931 -6.932 -7.972 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.243 -8.767 -7.420 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.208 -8.675 -5.927 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.654 -7.686 -7.338 1.00 9.65 H new ATOM 353 N ILE A 23 -3.008 -5.324 -3.951 1.00 8.32 N ATOM 354 CA ILE A 23 -2.083 -4.463 -3.282 1.00 9.92 C ATOM 355 C ILE A 23 -1.017 -4.032 -4.230 1.00 10.01 C ATOM 356 O ILE A 23 -0.296 -3.043 -4.107 1.00 8.71 O ATOM 357 CB ILE A 23 -1.475 -5.107 -2.071 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.468 -5.658 -1.033 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.404 -4.248 -1.378 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.491 -4.655 -0.503 1.00 12.30 C ATOM 0 H ILE A 23 -2.924 -6.294 -3.646 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.639 -3.592 -2.934 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.986 -5.976 -2.510 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.004 -6.496 -1.478 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.902 -6.054 -0.189 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.013 -4.783 -0.512 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.408 -4.045 -2.076 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.847 -3.306 -1.053 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.141 -5.146 0.221 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.972 -3.826 -0.021 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.091 -4.276 -1.330 1.00 12.30 H new ATOM 372 N GLU A 24 -0.718 -4.867 -5.240 1.00 9.54 N ATOM 373 CA GLU A 24 0.219 -4.601 -6.287 1.00 11.81 C ATOM 374 C GLU A 24 -0.339 -3.530 -7.160 1.00 11.14 C ATOM 375 O GLU A 24 0.450 -2.801 -7.759 1.00 10.62 O ATOM 376 CB GLU A 24 0.571 -5.884 -7.058 1.00 19.24 C ATOM 377 CG GLU A 24 1.382 -5.713 -8.344 1.00 27.76 C ATOM 378 CD GLU A 24 2.304 -6.867 -8.708 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.911 -8.062 -8.635 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.516 -6.635 -8.961 1.00 34.80 O ATOM 0 H GLU A 24 -1.157 -5.783 -5.331 1.00 9.54 H new ATOM 0 HA GLU A 24 1.161 -4.246 -5.869 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.128 -6.541 -6.389 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.358 -6.397 -7.307 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.688 -5.554 -9.169 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.983 -4.808 -8.254 1.00 27.76 H new ATOM 387 N ASN A 25 -1.669 -3.336 -7.212 1.00 9.43 N ATOM 388 CA ASN A 25 -2.415 -2.391 -7.984 1.00 10.96 C ATOM 389 C ASN A 25 -2.424 -1.088 -7.262 1.00 9.68 C ATOM 390 O ASN A 25 -2.177 -0.019 -7.817 1.00 9.33 O ATOM 391 CB ASN A 25 -3.793 -3.026 -8.242 1.00 16.78 C ATOM 392 CG ASN A 25 -4.440 -2.369 -9.453 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.150 -1.370 -9.349 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.306 -2.915 -10.691 1.00 24.70 N ATOM 0 H ASN A 25 -2.291 -3.911 -6.644 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.983 -2.165 -8.959 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.685 -4.097 -8.411 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.430 -2.905 -7.366 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.785 -2.496 -11.488 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.727 -3.744 -10.823 1.00 24.70 H new ATOM 401 N VAL A 26 -2.548 -1.152 -5.924 1.00 6.52 N ATOM 402 CA VAL A 26 -2.222 -0.075 -5.042 1.00 5.53 C ATOM 403 C VAL A 26 -0.821 0.404 -5.212 1.00 4.42 C ATOM 404 O VAL A 26 -0.514 1.588 -5.341 1.00 3.40 O ATOM 405 CB VAL A 26 -2.387 -0.335 -3.574 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.936 0.880 -2.746 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.853 -0.723 -3.318 1.00 8.12 C ATOM 0 H VAL A 26 -2.887 -1.983 -5.439 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.960 0.667 -5.346 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.749 -1.160 -3.256 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.066 0.666 -1.685 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.885 1.088 -2.948 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.537 1.748 -3.017 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.998 -0.917 -2.255 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.505 0.093 -3.630 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.097 -1.620 -3.887 1.00 8.12 H new ATOM 417 N LYS A 27 0.199 -0.471 -5.253 1.00 2.64 N ATOM 418 CA LYS A 27 1.565 -0.107 -5.473 1.00 4.14 C ATOM 419 C LYS A 27 1.836 0.564 -6.776 1.00 5.58 C ATOM 420 O LYS A 27 2.663 1.471 -6.857 1.00 4.11 O ATOM 421 CB LYS A 27 2.528 -1.295 -5.307 1.00 3.97 C ATOM 422 CG LYS A 27 2.601 -1.766 -3.854 1.00 7.45 C ATOM 423 CD LYS A 27 3.750 -2.748 -3.618 1.00 9.02 C ATOM 424 CE LYS A 27 3.506 -4.132 -4.224 1.00 12.90 C ATOM 425 NZ LYS A 27 4.653 -5.017 -3.919 1.00 15.47 N ATOM 0 H LYS A 27 0.067 -1.475 -5.128 1.00 2.64 H new ATOM 0 HA LYS A 27 1.753 0.629 -4.691 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.201 -2.119 -5.941 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.523 -1.007 -5.646 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.724 -0.902 -3.200 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.659 -2.241 -3.581 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.665 -2.332 -4.040 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.912 -2.854 -2.545 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.587 -4.559 -3.822 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.374 -4.050 -5.303 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.543 -5.917 -4.429 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.536 -4.556 -4.218 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.687 -5.201 -2.896 1.00 15.47 H new ATOM 439 N ALA A 28 1.157 0.077 -7.830 1.00 6.61 N ATOM 440 CA ALA A 28 1.118 0.882 -9.011 1.00 7.74 C ATOM 441 C ALA A 28 0.664 2.298 -8.914 1.00 9.17 C ATOM 442 O ALA A 28 1.237 3.193 -9.533 1.00 11.45 O ATOM 443 CB ALA A 28 0.216 0.215 -10.063 1.00 7.68 C ATOM 0 H ALA A 28 0.664 -0.815 -7.870 1.00 6.61 H new ATOM 0 HA ALA A 28 2.177 0.939 -9.265 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.188 0.831 -10.962 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.612 -0.770 -10.310 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.793 0.111 -9.664 1.00 7.68 H new ATOM 449 N LYS A 29 -0.412 2.589 -8.162 1.00 8.96 N ATOM 450 CA LYS A 29 -0.931 3.900 -7.925 1.00 7.90 C ATOM 451 C LYS A 29 0.028 4.739 -7.152 1.00 6.92 C ATOM 452 O LYS A 29 0.062 5.951 -7.356 1.00 6.87 O ATOM 453 CB LYS A 29 -2.333 3.832 -7.298 1.00 10.28 C ATOM 454 CG LYS A 29 -3.392 3.367 -8.299 1.00 14.94 C ATOM 455 CD LYS A 29 -4.778 3.236 -7.663 1.00 19.69 C ATOM 456 CE LYS A 29 -5.864 2.600 -8.533 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.202 3.547 -9.619 1.00 24.98 N ATOM 0 H LYS A 29 -0.952 1.864 -7.691 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.050 4.402 -8.885 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.316 3.151 -6.447 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.605 4.815 -6.914 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.441 4.074 -9.127 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.095 2.405 -8.718 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.682 2.647 -6.751 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -5.114 4.230 -7.367 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.513 1.655 -8.948 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.748 2.377 -7.935 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.940 3.133 -10.223 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.550 4.437 -9.208 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.354 3.738 -10.190 1.00 24.98 H new ATOM 471 N ILE A 30 0.713 4.216 -6.119 1.00 4.57 N ATOM 472 CA ILE A 30 1.766 4.849 -5.388 1.00 5.58 C ATOM 473 C ILE A 30 2.937 5.206 -6.238 1.00 7.26 C ATOM 474 O ILE A 30 3.480 6.303 -6.118 1.00 9.46 O ATOM 475 CB ILE A 30 2.272 4.089 -4.199 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.050 3.794 -3.313 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.188 4.926 -3.290 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.290 2.793 -2.183 1.00 2.00 C ATOM 0 H ILE A 30 0.514 3.279 -5.770 1.00 4.57 H new ATOM 0 HA ILE A 30 1.275 5.751 -5.022 1.00 5.58 H new ATOM 0 HB ILE A 30 2.814 3.222 -4.576 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.702 4.731 -2.878 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.246 3.418 -3.945 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.520 4.318 -2.449 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.055 5.263 -3.858 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.639 5.791 -2.918 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.368 2.654 -1.618 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.605 1.838 -2.604 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.068 3.172 -1.520 1.00 2.00 H new ATOM 490 N GLN A 31 3.411 4.330 -7.143 1.00 7.06 N ATOM 491 CA GLN A 31 4.344 4.531 -8.208 1.00 8.67 C ATOM 492 C GLN A 31 4.013 5.682 -9.094 1.00 10.90 C ATOM 493 O GLN A 31 4.895 6.336 -9.649 1.00 9.63 O ATOM 494 CB GLN A 31 4.503 3.302 -9.118 1.00 9.12 C ATOM 495 CG GLN A 31 5.618 3.470 -10.152 1.00 10.76 C ATOM 496 CD GLN A 31 5.871 2.167 -10.897 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.014 1.738 -11.050 1.00 14.48 O ATOM 498 NE2 GLN A 31 4.825 1.530 -11.487 1.00 14.76 N ATOM 0 H GLN A 31 3.097 3.360 -7.121 1.00 7.06 H new ATOM 0 HA GLN A 31 5.273 4.733 -7.675 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.712 2.426 -8.504 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.561 3.113 -9.633 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.346 4.252 -10.861 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.533 3.793 -9.656 1.00 10.76 H new ATOM 0 HE21 GLN A 31 3.876 1.883 -11.362 1.00 14.76 H new ATOM 0 HE22 GLN A 31 4.989 0.699 -12.055 1.00 14.76 H new ATOM 507 N ASP A 32 2.719 5.922 -9.373 1.00 10.93 N ATOM 508 CA ASP A 32 2.245 6.945 -10.253 1.00 14.01 C ATOM 509 C ASP A 32 2.168 8.222 -9.490 1.00 14.04 C ATOM 510 O ASP A 32 2.579 9.246 -10.034 1.00 13.39 O ATOM 511 CB ASP A 32 0.921 6.369 -10.783 1.00 18.01 C ATOM 512 CG ASP A 32 0.160 7.239 -11.772 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.680 7.507 -12.888 1.00 26.29 O ATOM 514 OD2 ASP A 32 -0.995 7.614 -11.438 1.00 25.17 O ATOM 0 H ASP A 32 1.964 5.373 -8.963 1.00 10.93 H new ATOM 0 HA ASP A 32 2.877 7.198 -11.104 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.130 5.411 -11.259 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.270 6.167 -9.932 1.00 18.01 H new ATOM 519 N LYS A 33 1.766 8.245 -8.207 1.00 14.22 N ATOM 520 CA LYS A 33 1.742 9.460 -7.452 1.00 14.00 C ATOM 521 C LYS A 33 3.061 10.112 -7.216 1.00 12.37 C ATOM 522 O LYS A 33 3.279 11.300 -7.449 1.00 12.17 O ATOM 523 CB LYS A 33 0.935 9.182 -6.173 1.00 18.62 C ATOM 524 CG LYS A 33 0.484 10.406 -5.375 1.00 24.00 C ATOM 525 CD LYS A 33 -0.604 11.243 -6.052 1.00 27.61 C ATOM 526 CE LYS A 33 -1.937 10.580 -6.406 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.901 11.607 -6.861 1.00 30.06 N ATOM 0 H LYS A 33 1.457 7.421 -7.691 1.00 14.22 H new ATOM 0 HA LYS A 33 1.253 10.228 -8.051 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.050 8.607 -6.445 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.537 8.551 -5.519 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.117 10.075 -4.403 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.350 11.041 -5.189 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.820 12.090 -5.401 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.183 11.648 -6.972 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.787 9.836 -7.188 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.334 10.054 -5.538 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.805 11.152 -7.101 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.053 12.301 -6.102 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.523 12.090 -7.701 1.00 30.06 H new ATOM 541 N GLU A 34 3.937 9.327 -6.563 1.00 10.11 N ATOM 542 CA GLU A 34 5.186 9.831 -6.084 1.00 10.07 C ATOM 543 C GLU A 34 6.292 9.462 -7.012 1.00 9.32 C ATOM 544 O GLU A 34 6.957 10.266 -7.665 1.00 11.61 O ATOM 545 CB GLU A 34 5.521 9.414 -4.642 1.00 14.77 C ATOM 546 CG GLU A 34 4.518 9.959 -3.624 1.00 18.75 C ATOM 547 CD GLU A 34 4.694 11.455 -3.404 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.540 11.819 -2.544 1.00 21.95 O ATOM 549 OE2 GLU A 34 4.064 12.265 -4.134 1.00 25.19 O ATOM 0 H GLU A 34 3.779 8.339 -6.366 1.00 10.11 H new ATOM 0 HA GLU A 34 5.079 10.915 -6.059 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.543 8.326 -4.578 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.520 9.769 -4.388 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.504 9.759 -3.970 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.641 9.435 -2.676 1.00 18.75 H new ATOM 556 N GLY A 35 6.644 8.166 -7.082 1.00 7.22 N ATOM 557 CA GLY A 35 7.748 7.691 -7.856 1.00 6.29 C ATOM 558 C GLY A 35 8.465 6.723 -6.979 1.00 6.93 C ATOM 559 O GLY A 35 9.691 6.812 -6.944 1.00 7.41 O ATOM 0 H GLY A 35 6.146 7.427 -6.586 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.406 7.211 -8.773 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.402 8.512 -8.151 1.00 6.29 H new ATOM 563 N ILE A 36 7.752 5.804 -6.303 1.00 5.86 N ATOM 564 CA ILE A 36 8.319 4.675 -5.634 1.00 6.07 C ATOM 565 C ILE A 36 8.040 3.427 -6.399 1.00 6.36 C ATOM 566 O ILE A 36 6.866 3.202 -6.689 1.00 6.18 O ATOM 567 CB ILE A 36 7.943 4.663 -4.182 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.054 6.077 -3.587 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.782 3.659 -3.375 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.600 6.143 -2.129 1.00 9.49 C ATOM 0 H ILE A 36 6.736 5.850 -6.219 1.00 5.86 H new ATOM 0 HA ILE A 36 9.406 4.748 -5.617 1.00 6.07 H new ATOM 0 HB ILE A 36 6.906 4.335 -4.115 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.088 6.415 -3.657 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.453 6.765 -4.182 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.475 3.685 -2.330 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.630 2.656 -3.773 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.837 3.923 -3.450 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.701 7.165 -1.762 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.557 5.833 -2.058 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.218 5.478 -1.525 1.00 9.49 H new ATOM 582 N PRO A 37 8.924 2.528 -6.716 1.00 8.65 N ATOM 583 CA PRO A 37 8.558 1.332 -7.417 1.00 9.18 C ATOM 584 C PRO A 37 7.877 0.226 -6.688 1.00 9.85 C ATOM 585 O PRO A 37 8.187 0.147 -5.500 1.00 8.51 O ATOM 586 CB PRO A 37 9.868 0.864 -8.047 1.00 11.42 C ATOM 587 CG PRO A 37 10.671 2.152 -8.288 1.00 9.27 C ATOM 588 CD PRO A 37 10.325 2.839 -6.957 1.00 8.33 C ATOM 0 HA PRO A 37 7.757 1.594 -8.108 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.403 0.182 -7.386 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.689 0.329 -8.980 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.739 1.975 -8.415 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.334 2.711 -9.161 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.955 2.469 -6.148 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.484 3.916 -7.017 1.00 8.33 H new ATOM 596 N PRO A 38 7.099 -0.663 -7.231 1.00 8.71 N ATOM 597 CA PRO A 38 6.266 -1.598 -6.532 1.00 9.08 C ATOM 598 C PRO A 38 7.060 -2.655 -5.844 1.00 9.28 C ATOM 599 O PRO A 38 6.562 -3.395 -4.998 1.00 6.50 O ATOM 600 CB PRO A 38 5.325 -2.160 -7.594 1.00 10.31 C ATOM 601 CG PRO A 38 5.134 -0.969 -8.546 1.00 10.81 C ATOM 602 CD PRO A 38 6.624 -0.595 -8.604 1.00 12.00 C ATOM 0 HA PRO A 38 5.710 -1.122 -5.725 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.759 -3.020 -8.104 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.379 -2.489 -7.163 1.00 10.31 H new ATOM 0 HG2 PRO A 38 4.715 -1.246 -9.513 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.501 -0.181 -8.138 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.176 -1.283 -9.244 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.761 0.404 -9.017 1.00 12.00 H new ATOM 610 N ASP A 39 8.341 -2.921 -6.157 1.00 11.20 N ATOM 611 CA ASP A 39 9.138 -3.881 -5.457 1.00 14.96 C ATOM 612 C ASP A 39 9.790 -3.358 -4.224 1.00 13.99 C ATOM 613 O ASP A 39 10.235 -4.077 -3.331 1.00 13.75 O ATOM 614 CB ASP A 39 10.077 -4.471 -6.523 1.00 24.16 C ATOM 615 CG ASP A 39 10.980 -3.433 -7.174 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.560 -2.268 -7.408 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.092 -3.832 -7.611 1.00 35.55 O ATOM 0 H ASP A 39 8.836 -2.456 -6.918 1.00 11.20 H new ATOM 0 HA ASP A 39 8.530 -4.672 -5.018 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.695 -5.243 -6.065 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.479 -4.957 -7.294 1.00 24.16 H new ATOM 622 N GLN A 40 9.931 -2.023 -4.145 1.00 11.60 N ATOM 623 CA GLN A 40 10.617 -1.369 -3.073 1.00 10.76 C ATOM 624 C GLN A 40 9.683 -1.041 -1.959 1.00 8.01 C ATOM 625 O GLN A 40 10.111 -0.601 -0.892 1.00 8.96 O ATOM 626 CB GLN A 40 11.518 -0.210 -3.529 1.00 11.14 C ATOM 627 CG GLN A 40 12.480 -0.537 -4.673 1.00 14.85 C ATOM 628 CD GLN A 40 13.467 0.595 -4.917 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.847 1.389 -4.058 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.962 0.623 -6.183 1.00 18.16 N ATOM 0 H GLN A 40 9.559 -1.381 -4.844 1.00 11.60 H new ATOM 0 HA GLN A 40 11.333 -2.081 -2.662 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.884 0.621 -3.837 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.101 0.133 -2.674 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.025 -1.452 -4.440 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.912 -0.727 -5.584 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.629 -0.048 -6.876 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.666 1.315 -6.440 1.00 18.16 H new ATOM 639 N GLN A 41 8.370 -1.082 -2.246 1.00 6.52 N ATOM 640 CA GLN A 41 7.433 -0.664 -1.250 1.00 3.87 C ATOM 641 C GLN A 41 7.060 -1.759 -0.311 1.00 4.79 C ATOM 642 O GLN A 41 7.024 -2.909 -0.746 1.00 6.34 O ATOM 643 CB GLN A 41 6.168 -0.122 -1.937 1.00 4.20 C ATOM 644 CG GLN A 41 6.405 1.117 -2.803 1.00 3.20 C ATOM 645 CD GLN A 41 5.154 1.308 -3.649 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.044 1.053 -3.184 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.288 1.659 -4.956 1.00 7.13 N ATOM 0 H GLN A 41 7.968 -1.391 -3.131 1.00 6.52 H new ATOM 0 HA GLN A 41 7.915 0.115 -0.658 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.740 -0.909 -2.558 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.428 0.119 -1.173 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.589 1.993 -2.182 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.283 0.985 -3.435 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.211 1.869 -5.336 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.465 1.712 -5.557 1.00 7.13 H new ATOM 656 N ARG A 42 6.662 -1.449 0.936 1.00 5.73 N ATOM 657 CA ARG A 42 6.078 -2.396 1.834 1.00 6.97 C ATOM 658 C ARG A 42 5.019 -1.590 2.503 1.00 7.15 C ATOM 659 O ARG A 42 5.295 -0.505 3.011 1.00 7.33 O ATOM 660 CB ARG A 42 7.166 -2.908 2.793 1.00 13.23 C ATOM 661 CG ARG A 42 6.665 -3.846 3.894 1.00 21.27 C ATOM 662 CD ARG A 42 7.659 -4.833 4.508 1.00 26.14 C ATOM 663 NE ARG A 42 7.582 -6.062 3.668 1.00 32.26 N ATOM 664 CZ ARG A 42 8.527 -7.033 3.832 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.480 -6.937 4.804 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.533 -8.182 3.094 1.00 36.39 N ATOM 0 H ARG A 42 6.749 -0.513 1.331 1.00 5.73 H new ATOM 0 HA ARG A 42 5.661 -3.293 1.376 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.927 -3.428 2.211 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.652 -2.051 3.259 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.266 -3.230 4.700 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.832 -4.420 3.489 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.669 -4.422 4.508 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.403 -5.051 5.545 1.00 26.14 H new ATOM 0 HE ARG A 42 6.836 -6.175 2.982 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.495 -6.128 5.425 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.177 -7.674 4.909 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.813 -8.339 2.389 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.258 -8.883 3.248 1.00 36.39 H new ATOM 680 N LEU A 43 3.754 -2.049 2.485 1.00 4.65 N ATOM 681 CA LEU A 43 2.682 -1.409 3.183 1.00 3.51 C ATOM 682 C LEU A 43 2.329 -2.207 4.390 1.00 5.56 C ATOM 683 O LEU A 43 2.048 -3.404 4.344 1.00 4.19 O ATOM 684 CB LEU A 43 1.487 -1.291 2.222 1.00 3.74 C ATOM 685 CG LEU A 43 1.790 -0.437 0.979 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.713 -0.724 -0.080 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.847 1.066 1.300 1.00 9.55 C ATOM 0 H LEU A 43 3.470 -2.884 1.973 1.00 4.65 H new ATOM 0 HA LEU A 43 2.973 -0.412 3.515 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.185 -2.289 1.904 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.642 -0.857 2.756 1.00 3.74 H new ATOM 0 HG LEU A 43 2.777 -0.707 0.603 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.910 -0.127 -0.971 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.732 -1.782 -0.341 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.268 -0.466 0.319 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.064 1.625 0.389 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.887 1.388 1.704 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.631 1.252 2.035 1.00 9.55 H new ATOM 699 N ILE A 44 2.339 -1.539 5.557 1.00 4.58 N ATOM 700 CA ILE A 44 1.972 -2.134 6.804 1.00 5.55 C ATOM 701 C ILE A 44 0.638 -1.647 7.257 1.00 5.46 C ATOM 702 O ILE A 44 0.441 -0.449 7.454 1.00 6.04 O ATOM 703 CB ILE A 44 2.905 -1.683 7.889 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.391 -1.842 7.529 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.603 -2.292 9.268 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.867 -3.291 7.442 1.00 13.90 C ATOM 0 H ILE A 44 2.610 -0.559 5.636 1.00 4.58 H new ATOM 0 HA ILE A 44 1.989 -3.212 6.644 1.00 5.55 H new ATOM 0 HB ILE A 44 2.707 -0.614 7.970 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.575 -1.354 6.572 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.991 -1.319 8.274 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.321 -1.916 9.997 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.595 -2.014 9.576 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.679 -3.378 9.211 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.926 -3.311 7.184 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.719 -3.781 8.404 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.296 -3.816 6.676 1.00 13.90 H new ATOM 718 N PHE A 45 -0.275 -2.578 7.589 1.00 6.75 N ATOM 719 CA PHE A 45 -1.387 -2.195 8.403 1.00 4.70 C ATOM 720 C PHE A 45 -1.284 -2.863 9.731 1.00 6.34 C ATOM 721 O PHE A 45 -1.338 -4.085 9.860 1.00 5.45 O ATOM 722 CB PHE A 45 -2.681 -2.742 7.779 1.00 5.51 C ATOM 723 CG PHE A 45 -3.905 -2.289 8.498 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.229 -0.954 8.540 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.764 -3.236 9.004 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.426 -0.510 9.052 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.960 -2.796 9.520 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.279 -1.459 9.563 1.00 6.84 C ATOM 0 H PHE A 45 -0.249 -3.558 7.308 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.392 -1.108 8.488 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.739 -2.425 6.738 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.647 -3.831 7.780 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.522 -0.232 8.159 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.509 -4.285 8.996 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.684 0.539 9.052 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.667 -3.518 9.901 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.215 -1.150 10.005 1.00 6.84 H new ATOM 738 N ALA A 46 -1.114 -2.049 10.788 1.00 6.53 N ATOM 739 CA ALA A 46 -0.809 -2.414 12.137 1.00 7.15 C ATOM 740 C ALA A 46 0.531 -3.057 12.242 1.00 9.00 C ATOM 741 O ALA A 46 1.566 -2.404 12.121 1.00 11.15 O ATOM 742 CB ALA A 46 -1.872 -3.176 12.945 1.00 8.99 C ATOM 0 H ALA A 46 -1.199 -1.038 10.686 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.801 -1.446 12.637 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.491 -3.380 13.946 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.777 -2.572 13.017 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.103 -4.117 12.446 1.00 8.99 H new ATOM 748 N GLY A 47 0.545 -4.398 12.342 1.00 9.35 N ATOM 749 CA GLY A 47 1.644 -5.312 12.306 1.00 11.68 C ATOM 750 C GLY A 47 1.637 -6.228 11.131 1.00 11.14 C ATOM 751 O GLY A 47 2.564 -7.035 11.083 1.00 13.93 O ATOM 0 H GLY A 47 -0.333 -4.903 12.464 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.574 -4.744 12.305 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.636 -5.909 13.218 1.00 11.68 H new ATOM 755 N LYS A 48 0.674 -6.116 10.199 1.00 10.47 N ATOM 756 CA LYS A 48 0.583 -6.988 9.070 1.00 8.82 C ATOM 757 C LYS A 48 1.090 -6.321 7.837 1.00 7.68 C ATOM 758 O LYS A 48 0.684 -5.227 7.447 1.00 6.47 O ATOM 759 CB LYS A 48 -0.931 -7.247 9.006 1.00 9.74 C ATOM 760 CG LYS A 48 -1.438 -8.289 8.007 1.00 14.14 C ATOM 761 CD LYS A 48 -0.782 -9.667 8.118 1.00 16.32 C ATOM 762 CE LYS A 48 -0.967 -10.295 9.501 1.00 20.04 C ATOM 763 NZ LYS A 48 -0.724 -11.752 9.405 1.00 23.92 N ATOM 0 H LYS A 48 -0.057 -5.405 10.231 1.00 10.47 H new ATOM 0 HA LYS A 48 1.178 -7.898 9.151 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.261 -7.549 10.000 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.423 -6.301 8.781 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.514 -8.404 8.140 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.280 -7.909 6.998 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.205 -10.329 7.362 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.283 -9.577 7.903 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.277 -9.844 10.214 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.975 -10.105 9.869 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -0.848 -12.187 10.341 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -1.399 -12.173 8.736 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 0.246 -11.921 9.070 1.00 23.92 H new ATOM 777 N GLN A 49 1.935 -7.095 7.133 1.00 8.89 N ATOM 778 CA GLN A 49 2.475 -6.656 5.883 1.00 7.18 C ATOM 779 C GLN A 49 1.616 -7.098 4.749 1.00 8.23 C ATOM 780 O GLN A 49 1.140 -8.232 4.748 1.00 9.70 O ATOM 781 CB GLN A 49 3.871 -7.267 5.677 1.00 11.67 C ATOM 782 CG GLN A 49 4.721 -7.143 6.943 1.00 15.82 C ATOM 783 CD GLN A 49 6.188 -7.480 6.715 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.130 -6.781 7.083 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.422 -8.652 6.066 1.00 20.67 N ATOM 0 H GLN A 49 2.244 -8.021 7.427 1.00 8.89 H new ATOM 0 HA GLN A 49 2.525 -5.567 5.906 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.774 -8.317 5.402 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.372 -6.766 4.849 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.644 -6.126 7.327 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.318 -7.804 7.710 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.640 -9.231 5.761 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.380 -8.952 5.884 1.00 20.67 H new ATOM 794 N LEU A 50 1.363 -6.252 3.734 1.00 6.51 N ATOM 795 CA LEU A 50 0.301 -6.619 2.849 1.00 7.41 C ATOM 796 C LEU A 50 0.853 -7.084 1.546 1.00 8.27 C ATOM 797 O LEU A 50 1.410 -6.397 0.691 1.00 8.34 O ATOM 798 CB LEU A 50 -0.422 -5.292 2.565 1.00 7.13 C ATOM 799 CG LEU A 50 -1.338 -4.719 3.660 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.437 -3.902 2.960 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.090 -5.791 4.468 1.00 8.14 C ATOM 0 H LEU A 50 1.850 -5.379 3.533 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.323 -7.403 3.277 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.335 -4.542 2.337 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.021 -5.425 1.664 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.698 -4.152 4.336 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.108 -3.479 3.708 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.981 -3.097 2.384 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.002 -4.551 2.291 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.714 -5.308 5.220 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.718 -6.378 3.798 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.371 -6.447 4.960 1.00 8.14 H new ATOM 813 N GLU A 51 0.632 -8.383 1.275 1.00 9.43 N ATOM 814 CA GLU A 51 1.226 -9.178 0.246 1.00 11.90 C ATOM 815 C GLU A 51 0.564 -9.046 -1.082 1.00 11.49 C ATOM 816 O GLU A 51 -0.660 -9.126 -1.171 1.00 9.88 O ATOM 817 CB GLU A 51 1.304 -10.688 0.532 1.00 16.56 C ATOM 818 CG GLU A 51 2.041 -10.991 1.838 1.00 26.06 C ATOM 819 CD GLU A 51 3.553 -10.934 1.670 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.190 -9.974 1.161 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.113 -11.976 2.106 1.00 33.44 O ATOM 0 H GLU A 51 -0.027 -8.927 1.832 1.00 9.43 H new ATOM 0 HA GLU A 51 2.232 -8.759 0.228 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.296 -11.099 0.582 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.811 -11.187 -0.294 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.734 -10.275 2.601 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.754 -11.980 2.195 1.00 26.06 H new ATOM 828 N ASP A 52 1.451 -8.805 -2.064 1.00 12.71 N ATOM 829 CA ASP A 52 1.198 -8.323 -3.386 1.00 16.56 C ATOM 830 C ASP A 52 -0.071 -8.645 -4.096 1.00 15.83 C ATOM 831 O ASP A 52 -0.836 -7.716 -4.355 1.00 17.21 O ATOM 832 CB ASP A 52 2.370 -8.807 -4.256 1.00 21.05 C ATOM 833 CG ASP A 52 3.721 -8.246 -3.835 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.111 -8.418 -2.650 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.382 -7.560 -4.660 1.00 28.37 O ATOM 0 H ASP A 52 2.447 -8.965 -1.913 1.00 12.71 H new ATOM 0 HA ASP A 52 1.090 -7.248 -3.240 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.412 -9.896 -4.220 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.179 -8.530 -5.293 1.00 21.05 H new ATOM 840 N GLY A 53 -0.271 -9.929 -4.444 1.00 15.00 N ATOM 841 CA GLY A 53 -1.360 -10.153 -5.344 1.00 11.77 C ATOM 842 C GLY A 53 -2.595 -10.551 -4.612 1.00 11.10 C ATOM 843 O GLY A 53 -3.463 -11.264 -5.113 1.00 11.25 O ATOM 0 H GLY A 53 0.263 -10.743 -4.139 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.552 -9.247 -5.919 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.091 -10.932 -6.057 1.00 11.77 H new ATOM 847 N ARG A 54 -2.772 -10.263 -3.310 1.00 8.53 N ATOM 848 CA ARG A 54 -4.005 -10.360 -2.593 1.00 9.05 C ATOM 849 C ARG A 54 -4.769 -9.081 -2.605 1.00 8.96 C ATOM 850 O ARG A 54 -4.208 -8.019 -2.869 1.00 11.60 O ATOM 851 CB ARG A 54 -3.638 -10.729 -1.146 1.00 7.97 C ATOM 852 CG ARG A 54 -2.822 -12.023 -1.154 1.00 9.62 C ATOM 853 CD ARG A 54 -2.664 -12.500 0.292 1.00 12.20 C ATOM 854 NE ARG A 54 -1.494 -13.413 0.162 1.00 18.23 N ATOM 855 CZ ARG A 54 -1.350 -14.488 0.991 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.205 -14.895 1.975 1.00 23.38 N ATOM 857 NH2 ARG A 54 -0.211 -15.231 0.877 1.00 25.50 N ATOM 0 H ARG A 54 -2.004 -9.942 -2.721 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.645 -11.107 -3.062 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.064 -9.925 -0.686 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.541 -10.857 -0.549 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.323 -12.784 -1.752 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.845 -11.853 -1.607 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.470 -11.677 0.979 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.552 -13.017 0.656 1.00 12.20 H new ATOM 0 HE ARG A 54 -0.792 -13.233 -0.555 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.063 -14.373 2.153 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -1.986 -15.721 2.532 1.00 23.38 H new ATOM 0 HH21 ARG A 54 0.498 -14.976 0.189 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -0.068 -16.042 1.480 1.00 25.50 H new ATOM 871 N THR A 55 -6.107 -9.089 -2.468 1.00 9.05 N ATOM 872 CA THR A 55 -6.849 -7.867 -2.462 1.00 9.03 C ATOM 873 C THR A 55 -6.792 -7.056 -1.213 1.00 8.15 C ATOM 874 O THR A 55 -6.307 -7.627 -0.237 1.00 5.91 O ATOM 875 CB THR A 55 -8.289 -8.071 -2.832 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.965 -8.998 -1.995 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.378 -8.651 -4.253 1.00 11.71 C ATOM 0 H THR A 55 -6.670 -9.933 -2.362 1.00 9.05 H new ATOM 0 HA THR A 55 -6.327 -7.288 -3.224 1.00 9.03 H new ATOM 0 HB THR A 55 -8.756 -7.091 -2.735 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.797 -8.597 -1.668 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.424 -8.799 -4.521 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.917 -7.959 -4.958 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.856 -9.607 -4.289 1.00 11.71 H new ATOM 885 N LEU A 56 -7.224 -5.783 -1.199 1.00 6.91 N ATOM 886 CA LEU A 56 -7.506 -5.101 0.027 1.00 8.29 C ATOM 887 C LEU A 56 -8.580 -5.677 0.883 1.00 8.05 C ATOM 888 O LEU A 56 -8.509 -5.820 2.103 1.00 10.17 O ATOM 889 CB LEU A 56 -7.932 -3.669 -0.335 1.00 6.60 C ATOM 890 CG LEU A 56 -6.796 -2.774 -0.858 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.253 -1.662 -1.817 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.859 -2.181 0.208 1.00 9.85 C ATOM 0 H LEU A 56 -7.379 -5.224 -2.038 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.593 -5.179 0.617 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.715 -3.718 -1.091 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.369 -3.200 0.547 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.209 -3.499 -1.422 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.389 -1.079 -2.137 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.733 -2.108 -2.688 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.962 -1.010 -1.306 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.098 -1.569 -0.276 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.436 -1.565 0.897 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.378 -2.989 0.759 1.00 9.85 H new ATOM 904 N SER A 57 -9.668 -6.100 0.215 1.00 8.92 N ATOM 905 CA SER A 57 -10.801 -6.723 0.826 1.00 9.00 C ATOM 906 C SER A 57 -10.586 -8.006 1.553 1.00 9.44 C ATOM 907 O SER A 57 -11.415 -8.183 2.443 1.00 10.91 O ATOM 908 CB SER A 57 -11.838 -6.943 -0.287 1.00 10.32 C ATOM 909 OG SER A 57 -11.381 -7.855 -1.275 1.00 13.59 O ATOM 0 H SER A 57 -9.762 -6.003 -0.796 1.00 8.92 H new ATOM 0 HA SER A 57 -11.114 -6.044 1.619 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.763 -7.318 0.150 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.072 -5.988 -0.757 1.00 10.32 H new ATOM 0 HG SER A 57 -12.071 -7.966 -1.962 1.00 13.59 H new ATOM 915 N ASP A 58 -9.564 -8.834 1.271 1.00 9.11 N ATOM 916 CA ASP A 58 -9.156 -9.936 2.086 1.00 7.91 C ATOM 917 C ASP A 58 -8.481 -9.570 3.362 1.00 9.12 C ATOM 918 O ASP A 58 -8.688 -10.118 4.444 1.00 8.61 O ATOM 919 CB ASP A 58 -8.331 -10.842 1.155 1.00 8.41 C ATOM 920 CG ASP A 58 -8.210 -12.201 1.829 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.222 -12.439 2.574 1.00 10.05 O ATOM 922 OD2 ASP A 58 -9.007 -13.124 1.511 1.00 11.70 O ATOM 0 H ASP A 58 -8.994 -8.729 0.432 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.025 -10.464 2.479 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.817 -10.938 0.184 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.345 -10.413 0.977 1.00 8.41 H new ATOM 927 N TYR A 59 -7.639 -8.522 3.320 1.00 7.97 N ATOM 928 CA TYR A 59 -7.096 -7.967 4.521 1.00 8.45 C ATOM 929 C TYR A 59 -8.031 -7.090 5.280 1.00 10.98 C ATOM 930 O TYR A 59 -7.726 -6.646 6.386 1.00 12.95 O ATOM 931 CB TYR A 59 -5.875 -7.120 4.125 1.00 7.94 C ATOM 932 CG TYR A 59 -4.685 -7.945 3.773 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.915 -8.575 4.722 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.343 -8.119 2.452 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.840 -9.358 4.374 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.160 -8.721 2.095 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.452 -9.405 3.055 1.00 6.76 C ATOM 938 OH TYR A 59 -1.235 -9.992 2.649 1.00 7.63 O ATOM 0 H TYR A 59 -7.336 -8.062 2.462 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.858 -8.805 5.176 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.137 -6.489 3.276 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.618 -6.455 4.949 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.161 -8.452 5.766 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.017 -7.776 1.681 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.309 -9.927 5.123 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.794 -8.658 1.081 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.285 -10.964 2.766 1.00 7.63 H new ATOM 948 N ASN A 60 -9.239 -6.869 4.732 1.00 12.38 N ATOM 949 CA ASN A 60 -10.347 -6.128 5.249 1.00 13.94 C ATOM 950 C ASN A 60 -10.044 -4.736 5.687 1.00 14.16 C ATOM 951 O ASN A 60 -10.355 -4.221 6.760 1.00 14.26 O ATOM 952 CB ASN A 60 -11.234 -6.789 6.317 1.00 19.23 C ATOM 953 CG ASN A 60 -11.983 -7.963 5.700 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.209 -7.944 5.614 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.279 -9.094 5.427 1.00 24.09 N ATOM 0 H ASN A 60 -9.461 -7.259 3.816 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.935 -6.107 4.331 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.622 -7.132 7.151 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.941 -6.063 6.718 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.768 -9.944 5.146 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.262 -9.092 5.503 1.00 24.09 H new ATOM 962 N ILE A 61 -9.354 -4.099 4.724 1.00 11.08 N ATOM 963 CA ILE A 61 -8.918 -2.737 4.696 1.00 11.78 C ATOM 964 C ILE A 61 -10.064 -1.838 4.378 1.00 13.74 C ATOM 965 O ILE A 61 -10.631 -1.776 3.289 1.00 14.60 O ATOM 966 CB ILE A 61 -7.757 -2.568 3.762 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.525 -3.387 4.184 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.360 -1.084 3.695 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.069 -3.314 5.640 1.00 11.42 C ATOM 0 H ILE A 61 -9.073 -4.593 3.877 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.556 -2.451 5.684 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.082 -2.933 2.788 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.726 -4.433 3.951 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.689 -3.076 3.558 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.516 -0.963 3.016 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.204 -0.498 3.333 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.078 -0.738 4.689 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.191 -3.945 5.778 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.819 -2.283 5.892 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -6.872 -3.662 6.290 1.00 11.42 H new ATOM 981 N GLN A 62 -10.468 -1.014 5.361 1.00 13.97 N ATOM 982 CA GLN A 62 -11.542 -0.079 5.235 1.00 15.52 C ATOM 983 C GLN A 62 -10.940 1.241 4.897 1.00 13.94 C ATOM 984 O GLN A 62 -9.760 1.545 5.066 1.00 12.15 O ATOM 985 CB GLN A 62 -12.543 -0.093 6.402 1.00 19.53 C ATOM 986 CG GLN A 62 -13.131 -1.478 6.681 1.00 26.38 C ATOM 987 CD GLN A 62 -13.903 -1.727 7.970 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.131 -1.732 7.911 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.235 -1.963 9.131 1.00 32.71 N ATOM 0 H GLN A 62 -10.028 -0.999 6.281 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.204 -0.372 4.420 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.046 0.271 7.302 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.355 0.601 6.183 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.795 -1.722 5.852 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.308 -2.192 6.652 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.215 -1.951 9.144 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.754 -2.152 9.989 1.00 32.71 H new ATOM 998 N LYS A 63 -11.838 2.147 4.470 1.00 11.73 N ATOM 999 CA LYS A 63 -11.636 3.541 4.225 1.00 11.97 C ATOM 1000 C LYS A 63 -11.024 4.290 5.358 1.00 10.41 C ATOM 1001 O LYS A 63 -11.302 4.091 6.539 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.932 4.203 3.729 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.897 4.660 4.826 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.263 4.957 4.206 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.247 5.393 5.294 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.107 4.226 5.592 1.00 25.97 N ATOM 0 H LYS A 63 -12.801 1.873 4.278 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.890 3.595 3.432 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.668 5.066 3.118 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.454 3.500 3.079 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.991 3.887 5.589 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.508 5.550 5.321 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.168 5.741 3.455 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.641 4.071 3.696 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.715 5.718 6.188 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.847 6.238 4.955 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.794 4.480 6.330 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.615 3.940 4.731 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.518 3.436 5.925 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.213 5.310 5.024 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.475 6.174 5.893 1.00 10.94 C ATOM 1022 C GLU A 64 -8.519 5.496 6.812 1.00 9.74 C ATOM 1023 O GLU A 64 -8.243 5.799 7.972 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.357 7.148 6.691 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.039 8.171 5.779 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.844 9.191 6.571 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.534 8.787 7.544 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.982 10.364 6.132 1.00 32.61 O ATOM 0 H GLU A 64 -10.061 5.552 4.045 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.875 6.745 5.184 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.114 6.588 7.239 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.748 7.668 7.430 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.285 8.687 5.184 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.696 7.653 5.081 1.00 24.16 H new ATOM 1035 N SER A 65 -7.866 4.456 6.262 1.00 6.85 N ATOM 1036 CA SER A 65 -6.988 3.531 6.910 1.00 6.90 C ATOM 1037 C SER A 65 -5.569 3.869 6.606 1.00 4.72 C ATOM 1038 O SER A 65 -5.160 4.097 5.469 1.00 3.91 O ATOM 1039 CB SER A 65 -7.233 2.026 6.714 1.00 7.28 C ATOM 1040 OG SER A 65 -8.458 1.626 7.311 1.00 10.56 O ATOM 0 H SER A 65 -7.964 4.245 5.269 1.00 6.85 H new ATOM 0 HA SER A 65 -7.229 3.673 7.964 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.250 1.793 5.649 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.410 1.460 7.151 1.00 7.28 H new ATOM 0 HG SER A 65 -9.096 1.373 6.611 1.00 10.56 H new ATOM 1046 N THR A 66 -4.757 3.921 7.677 1.00 4.48 N ATOM 1047 CA THR A 66 -3.484 4.558 7.541 1.00 3.80 C ATOM 1048 C THR A 66 -2.432 3.509 7.430 1.00 4.60 C ATOM 1049 O THR A 66 -1.989 2.881 8.390 1.00 5.33 O ATOM 1050 CB THR A 66 -3.106 5.375 8.740 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.097 6.380 8.899 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.801 6.126 8.424 1.00 3.40 C ATOM 0 H THR A 66 -4.968 3.540 8.599 1.00 4.48 H new ATOM 0 HA THR A 66 -3.557 5.203 6.666 1.00 3.80 H new ATOM 0 HB THR A 66 -3.006 4.736 9.617 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.880 6.933 9.678 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.509 6.727 9.285 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.013 5.407 8.199 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.955 6.777 7.563 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.932 3.203 6.219 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.827 2.344 5.924 1.00 3.85 C ATOM 1062 C LEU A 67 0.496 3.011 6.075 1.00 3.80 C ATOM 1063 O LEU A 67 0.786 4.074 5.529 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.919 1.751 4.508 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.151 0.872 4.236 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.447 0.931 2.728 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.938 -0.605 4.609 1.00 8.12 C ATOM 0 H LEU A 67 -2.340 3.594 5.370 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.894 1.545 6.663 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.913 2.570 3.789 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.023 1.158 4.323 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.967 1.255 4.849 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.318 0.315 2.504 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.647 1.962 2.436 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.586 0.557 2.173 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.845 -1.169 4.392 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.110 -1.011 4.028 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.708 -0.682 5.672 1.00 8.12 H new ATOM 1079 N HIS A 68 1.457 2.337 6.732 1.00 2.94 N ATOM 1080 CA HIS A 68 2.760 2.887 6.943 1.00 4.17 C ATOM 1081 C HIS A 68 3.559 2.479 5.754 1.00 5.32 C ATOM 1082 O HIS A 68 3.900 1.297 5.776 1.00 7.70 O ATOM 1083 CB HIS A 68 3.471 2.558 8.267 1.00 5.57 C ATOM 1084 CG HIS A 68 2.801 3.212 9.439 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.472 4.009 10.344 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.502 3.175 9.841 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.549 4.405 11.262 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.356 3.904 11.003 1.00 16.30 N ATOM 0 H HIS A 68 1.329 1.402 7.120 1.00 2.94 H new ATOM 0 HA HIS A 68 2.652 3.966 7.048 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.485 1.478 8.413 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.509 2.886 8.213 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.706 2.654 9.329 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.766 5.050 12.100 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.503 4.030 11.548 1.00 16.30 H new ATOM 1096 N LEU A 69 3.838 3.283 4.712 1.00 5.29 N ATOM 1097 CA LEU A 69 4.786 2.906 3.711 1.00 3.97 C ATOM 1098 C LEU A 69 6.205 2.921 4.167 1.00 5.07 C ATOM 1099 O LEU A 69 6.719 4.000 4.458 1.00 4.34 O ATOM 1100 CB LEU A 69 4.675 3.777 2.448 1.00 6.08 C ATOM 1101 CG LEU A 69 5.724 3.509 1.356 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.794 2.035 0.922 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.415 4.279 0.061 1.00 6.87 C ATOM 0 H LEU A 69 3.406 4.195 4.563 1.00 5.29 H new ATOM 0 HA LEU A 69 4.520 1.874 3.483 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.684 3.634 2.017 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.745 4.824 2.744 1.00 6.08 H new ATOM 0 HG LEU A 69 6.659 3.825 1.818 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.554 1.919 0.150 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.051 1.415 1.781 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.826 1.725 0.528 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.181 4.061 -0.683 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.441 3.973 -0.320 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.404 5.349 0.268 1.00 6.87 H new ATOM 1115 N VAL A 70 6.906 1.775 4.230 1.00 4.29 N ATOM 1116 CA VAL A 70 8.240 1.613 4.718 1.00 6.26 C ATOM 1117 C VAL A 70 9.055 1.028 3.617 1.00 9.22 C ATOM 1118 O VAL A 70 8.648 0.700 2.504 1.00 9.36 O ATOM 1119 CB VAL A 70 8.305 0.703 5.909 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.682 1.321 7.172 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.713 -0.682 5.599 1.00 8.54 C ATOM 0 H VAL A 70 6.506 0.892 3.914 1.00 4.29 H new ATOM 0 HA VAL A 70 8.616 2.586 5.033 1.00 6.26 H new ATOM 0 HB VAL A 70 9.363 0.566 6.130 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.760 0.615 7.999 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.212 2.239 7.427 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.632 1.548 6.986 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.778 -1.312 6.486 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.669 -0.574 5.306 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.272 -1.143 4.785 1.00 8.54 H new ATOM 1131 N LEU A 71 10.330 0.667 3.849 1.00 12.71 N ATOM 1132 CA LEU A 71 11.203 0.037 2.907 1.00 16.06 C ATOM 1133 C LEU A 71 11.257 -1.450 2.968 1.00 18.09 C ATOM 1134 O LEU A 71 11.601 -2.094 3.958 1.00 19.26 O ATOM 1135 CB LEU A 71 12.620 0.621 3.039 1.00 17.10 C ATOM 1136 CG LEU A 71 13.647 0.303 1.939 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.177 0.948 0.625 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.092 0.681 2.306 1.00 17.51 C ATOM 0 H LEU A 71 10.779 0.825 4.751 1.00 12.71 H new ATOM 0 HA LEU A 71 10.772 0.259 1.931 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.528 1.705 3.104 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.033 0.279 3.988 1.00 17.10 H new ATOM 0 HG LEU A 71 13.689 -0.779 1.816 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.896 0.731 -0.165 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.203 0.544 0.350 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.098 2.027 0.757 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.756 0.426 1.480 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.150 1.752 2.500 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.396 0.133 3.198 1.00 17.51 H new