USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 74 SER OG : rot -130:sc= 0.519 USER MOD Set 1.2: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ -105:sc= 0.714 (180deg=-0.834) USER MOD Set 2.2: A 5 THR OG1 : rot -110:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 68:sc= 0.681 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 85:sc= 0.632 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.111 (180deg=-0.469) USER MOD Single : A 12 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.7) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -139:sc= 0.512 USER MOD Single : A 18 SER OG : rot 176:sc= 0.939 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.139 K(o=0.14,f=-7.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0622) USER MOD Single : A 35 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.89) USER MOD Single : A 38 ASN : amide:sc= -0.0569 K(o=-0.057,f=-0.56) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -97:sc= 0.967 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.498 K(o=-0.5,f=-2.8!) USER MOD Single : A 51 MET CE :methyl -177:sc= -1.89 (180deg=-1.93) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0883) USER MOD Single : A 53 THR OG1 : rot 17:sc= 0.534 USER MOD Single : A 55 SER OG : rot 19:sc= -1.45 USER MOD Single : A 56 THR OG1 : rot -5:sc= 0.393 USER MOD Single : A 59 GLN : amide:sc= -0.0045 K(o=-0.0045,f=-0.84) USER MOD Single : A 62 THR OG1 : rot 75:sc= 0.481 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -143:sc= -0.18 (180deg=-1.06) USER MOD Single : A 68 SER OG : rot 180:sc= -0.158 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.663 K(o=-0.66,f=-5.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.562 -16.338 0.713 1.00 5.74 N ATOM 2 CA MET A 1 -0.642 -17.337 0.146 1.00 5.22 C ATOM 3 C MET A 1 -1.316 -18.028 -1.045 1.00 3.86 C ATOM 4 O MET A 1 -1.602 -19.216 -0.977 1.00 4.34 O ATOM 5 CB MET A 1 -0.205 -18.305 1.263 1.00 6.16 C ATOM 6 CG MET A 1 1.104 -19.036 0.949 1.00 7.24 C ATOM 7 SD MET A 1 0.949 -20.600 0.050 1.00 7.26 S ATOM 8 CE MET A 1 2.691 -20.884 -0.351 1.00 8.96 C ATOM 0 H1 MET A 1 -1.250 -15.384 0.439 1.00 5.74 H new ATOM 0 H2 MET A 1 -2.522 -16.506 0.351 1.00 5.74 H new ATOM 0 H3 MET A 1 -1.564 -16.417 1.750 1.00 5.74 H new ATOM 0 HA MET A 1 0.265 -16.873 -0.241 1.00 5.22 H new ATOM 0 HB2 MET A 1 -0.089 -17.748 2.193 1.00 6.16 H new ATOM 0 HB3 MET A 1 -0.993 -19.039 1.428 1.00 6.16 H new ATOM 0 HG2 MET A 1 1.739 -18.368 0.367 1.00 7.24 H new ATOM 0 HG3 MET A 1 1.622 -19.230 1.888 1.00 7.24 H new ATOM 0 HE1 MET A 1 2.788 -21.814 -0.911 1.00 8.96 H new ATOM 0 HE2 MET A 1 3.065 -20.056 -0.954 1.00 8.96 H new ATOM 0 HE3 MET A 1 3.270 -20.953 0.570 1.00 8.96 H new ATOM 20 N SER A 2 -1.618 -17.281 -2.115 1.00 3.09 N ATOM 21 CA SER A 2 -2.312 -17.711 -3.337 1.00 2.09 C ATOM 22 C SER A 2 -2.879 -16.467 -4.019 1.00 1.76 C ATOM 23 O SER A 2 -2.870 -15.398 -3.411 1.00 1.53 O ATOM 24 CB SER A 2 -3.439 -18.718 -3.061 1.00 2.86 C ATOM 25 OG SER A 2 -2.950 -20.033 -3.199 1.00 3.44 O ATOM 0 H SER A 2 -1.367 -16.293 -2.153 1.00 3.09 H new ATOM 0 HA SER A 2 -1.594 -18.223 -3.978 1.00 2.09 H new ATOM 0 HB2 SER A 2 -3.832 -18.570 -2.055 1.00 2.86 H new ATOM 0 HB3 SER A 2 -4.264 -18.553 -3.754 1.00 2.86 H new ATOM 0 HG SER A 2 -2.309 -20.220 -2.482 1.00 3.44 H new ATOM 31 N GLU A 3 -3.391 -16.589 -5.248 1.00 1.82 N ATOM 32 CA GLU A 3 -4.014 -15.463 -5.939 1.00 1.63 C ATOM 33 C GLU A 3 -5.279 -14.995 -5.234 1.00 1.42 C ATOM 34 O GLU A 3 -5.598 -13.815 -5.325 1.00 1.19 O ATOM 35 CB GLU A 3 -4.294 -15.778 -7.417 1.00 1.86 C ATOM 36 CG GLU A 3 -3.090 -15.350 -8.265 1.00 2.54 C ATOM 37 CD GLU A 3 -3.382 -15.366 -9.765 1.00 2.65 C ATOM 38 OE1 GLU A 3 -4.083 -16.292 -10.219 1.00 3.27 O ATOM 39 OE2 GLU A 3 -2.872 -14.436 -10.439 1.00 3.27 O ATOM 0 H GLU A 3 -3.385 -17.458 -5.782 1.00 1.82 H new ATOM 0 HA GLU A 3 -3.295 -14.644 -5.908 1.00 1.63 H new ATOM 0 HB2 GLU A 3 -4.482 -16.844 -7.544 1.00 1.86 H new ATOM 0 HB3 GLU A 3 -5.191 -15.255 -7.748 1.00 1.86 H new ATOM 0 HG2 GLU A 3 -2.783 -14.346 -7.971 1.00 2.54 H new ATOM 0 HG3 GLU A 3 -2.251 -16.014 -8.056 1.00 2.54 H new ATOM 46 N GLU A 4 -5.985 -15.860 -4.503 1.00 1.52 N ATOM 47 CA GLU A 4 -7.100 -15.412 -3.679 1.00 1.37 C ATOM 48 C GLU A 4 -6.612 -14.376 -2.672 1.00 1.07 C ATOM 49 O GLU A 4 -7.133 -13.265 -2.622 1.00 0.84 O ATOM 50 CB GLU A 4 -7.750 -16.597 -2.962 1.00 1.59 C ATOM 51 CG GLU A 4 -8.560 -17.447 -3.940 1.00 1.87 C ATOM 52 CD GLU A 4 -9.170 -18.645 -3.215 1.00 2.27 C ATOM 53 OE1 GLU A 4 -8.402 -19.598 -2.960 1.00 3.51 O ATOM 54 OE2 GLU A 4 -10.379 -18.575 -2.907 1.00 2.37 O ATOM 0 H GLU A 4 -5.804 -16.863 -4.467 1.00 1.52 H new ATOM 0 HA GLU A 4 -7.852 -14.953 -4.321 1.00 1.37 H new ATOM 0 HB2 GLU A 4 -6.981 -17.210 -2.492 1.00 1.59 H new ATOM 0 HB3 GLU A 4 -8.399 -16.234 -2.165 1.00 1.59 H new ATOM 0 HG2 GLU A 4 -9.349 -16.845 -4.390 1.00 1.87 H new ATOM 0 HG3 GLU A 4 -7.919 -17.791 -4.752 1.00 1.87 H new ATOM 61 N THR A 5 -5.596 -14.713 -1.873 1.00 1.17 N ATOM 62 CA THR A 5 -5.076 -13.787 -0.880 1.00 1.05 C ATOM 63 C THR A 5 -4.515 -12.545 -1.554 1.00 0.77 C ATOM 64 O THR A 5 -4.747 -11.429 -1.102 1.00 0.67 O ATOM 65 CB THR A 5 -3.959 -14.441 -0.069 1.00 1.36 C ATOM 66 OG1 THR A 5 -4.178 -15.827 0.116 1.00 1.61 O ATOM 67 CG2 THR A 5 -3.802 -13.768 1.293 1.00 1.45 C ATOM 0 H THR A 5 -5.124 -15.617 -1.899 1.00 1.17 H new ATOM 0 HA THR A 5 -5.899 -13.512 -0.220 1.00 1.05 H new ATOM 0 HB THR A 5 -3.042 -14.312 -0.644 1.00 1.36 H new ATOM 0 HG1 THR A 5 -4.392 -16.002 1.056 1.00 1.61 H new ATOM 0 HG21 THR A 5 -3.000 -14.254 1.849 1.00 1.45 H new ATOM 0 HG22 THR A 5 -3.560 -12.715 1.153 1.00 1.45 H new ATOM 0 HG23 THR A 5 -4.734 -13.854 1.851 1.00 1.45 H new ATOM 75 N SER A 6 -3.738 -12.740 -2.619 1.00 0.73 N ATOM 76 CA SER A 6 -3.044 -11.663 -3.292 1.00 0.57 C ATOM 77 C SER A 6 -4.066 -10.656 -3.780 1.00 0.45 C ATOM 78 O SER A 6 -3.908 -9.470 -3.549 1.00 0.41 O ATOM 79 CB SER A 6 -2.188 -12.220 -4.437 1.00 0.73 C ATOM 80 OG SER A 6 -1.291 -11.247 -4.929 1.00 0.78 O ATOM 0 H SER A 6 -3.577 -13.657 -3.035 1.00 0.73 H new ATOM 0 HA SER A 6 -2.365 -11.159 -2.605 1.00 0.57 H new ATOM 0 HB2 SER A 6 -1.630 -13.088 -4.087 1.00 0.73 H new ATOM 0 HB3 SER A 6 -2.835 -12.562 -5.245 1.00 0.73 H new ATOM 0 HG SER A 6 -0.758 -11.631 -5.656 1.00 0.78 H new ATOM 86 N THR A 7 -5.145 -11.120 -4.398 1.00 0.59 N ATOM 87 CA THR A 7 -6.192 -10.273 -4.942 1.00 0.65 C ATOM 88 C THR A 7 -7.021 -9.629 -3.847 1.00 0.53 C ATOM 89 O THR A 7 -7.383 -8.458 -3.966 1.00 0.59 O ATOM 90 CB THR A 7 -7.060 -11.074 -5.920 1.00 0.92 C ATOM 91 OG1 THR A 7 -6.242 -11.568 -6.955 1.00 1.15 O ATOM 92 CG2 THR A 7 -8.158 -10.223 -6.560 1.00 1.06 C ATOM 0 H THR A 7 -5.317 -12.116 -4.536 1.00 0.59 H new ATOM 0 HA THR A 7 -5.723 -9.457 -5.492 1.00 0.65 H new ATOM 0 HB THR A 7 -7.532 -11.876 -5.352 1.00 0.92 H new ATOM 0 HG1 THR A 7 -5.835 -12.414 -6.675 1.00 1.15 H new ATOM 0 HG21 THR A 7 -8.743 -10.838 -7.243 1.00 1.06 H new ATOM 0 HG22 THR A 7 -8.809 -9.825 -5.782 1.00 1.06 H new ATOM 0 HG23 THR A 7 -7.705 -9.399 -7.111 1.00 1.06 H new ATOM 100 N GLN A 8 -7.301 -10.365 -2.773 1.00 0.49 N ATOM 101 CA GLN A 8 -8.004 -9.810 -1.630 1.00 0.53 C ATOM 102 C GLN A 8 -7.217 -8.606 -1.139 1.00 0.53 C ATOM 103 O GLN A 8 -7.767 -7.524 -0.955 1.00 0.78 O ATOM 104 CB GLN A 8 -8.127 -10.870 -0.527 1.00 0.61 C ATOM 105 CG GLN A 8 -9.243 -11.889 -0.797 1.00 0.75 C ATOM 106 CD GLN A 8 -10.495 -11.581 0.021 1.00 1.08 C ATOM 107 OE1 GLN A 8 -10.497 -11.714 1.237 1.00 1.97 O ATOM 108 NE2 GLN A 8 -11.587 -11.174 -0.615 1.00 1.72 N ATOM 0 H GLN A 8 -7.049 -11.349 -2.675 1.00 0.49 H new ATOM 0 HA GLN A 8 -9.012 -9.503 -1.908 1.00 0.53 H new ATOM 0 HB2 GLN A 8 -7.178 -11.396 -0.429 1.00 0.61 H new ATOM 0 HB3 GLN A 8 -8.317 -10.375 0.425 1.00 0.61 H new ATOM 0 HG2 GLN A 8 -9.491 -11.885 -1.858 1.00 0.75 H new ATOM 0 HG3 GLN A 8 -8.888 -12.891 -0.556 1.00 0.75 H new ATOM 0 HE21 GLN A 8 -11.576 -11.066 -1.629 1.00 1.72 H new ATOM 0 HE22 GLN A 8 -12.437 -10.969 -0.089 1.00 1.72 H new ATOM 117 N ILE A 9 -5.908 -8.788 -0.973 1.00 0.41 N ATOM 118 CA ILE A 9 -5.078 -7.793 -0.322 1.00 0.43 C ATOM 119 C ILE A 9 -4.774 -6.678 -1.300 1.00 0.35 C ATOM 120 O ILE A 9 -4.521 -5.556 -0.891 1.00 0.47 O ATOM 121 CB ILE A 9 -3.816 -8.417 0.286 1.00 0.57 C ATOM 122 CG1 ILE A 9 -3.518 -7.688 1.606 1.00 1.76 C ATOM 123 CG2 ILE A 9 -2.578 -8.368 -0.614 1.00 1.19 C ATOM 124 CD1 ILE A 9 -2.295 -8.274 2.307 1.00 2.20 C ATOM 0 H ILE A 9 -5.405 -9.619 -1.283 1.00 0.41 H new ATOM 0 HA ILE A 9 -5.622 -7.363 0.519 1.00 0.43 H new ATOM 0 HB ILE A 9 -4.024 -9.477 0.432 1.00 0.57 H new ATOM 0 HG12 ILE A 9 -3.352 -6.629 1.408 1.00 1.76 H new ATOM 0 HG13 ILE A 9 -4.384 -7.758 2.264 1.00 1.76 H new ATOM 0 HG21 ILE A 9 -1.736 -8.832 -0.100 1.00 1.19 H new ATOM 0 HG22 ILE A 9 -2.780 -8.907 -1.540 1.00 1.19 H new ATOM 0 HG23 ILE A 9 -2.336 -7.330 -0.843 1.00 1.19 H new ATOM 0 HD11 ILE A 9 -2.115 -7.734 3.236 1.00 2.20 H new ATOM 0 HD12 ILE A 9 -2.472 -9.327 2.528 1.00 2.20 H new ATOM 0 HD13 ILE A 9 -1.424 -8.181 1.658 1.00 2.20 H new ATOM 136 N LEU A 10 -4.805 -6.989 -2.592 1.00 0.34 N ATOM 137 CA LEU A 10 -4.615 -6.026 -3.663 1.00 0.46 C ATOM 138 C LEU A 10 -5.682 -4.952 -3.574 1.00 0.45 C ATOM 139 O LEU A 10 -5.391 -3.757 -3.511 1.00 0.51 O ATOM 140 CB LEU A 10 -4.713 -6.718 -5.030 1.00 0.60 C ATOM 141 CG LEU A 10 -3.691 -6.164 -6.022 1.00 0.74 C ATOM 142 CD1 LEU A 10 -2.674 -7.268 -6.315 1.00 1.73 C ATOM 143 CD2 LEU A 10 -4.421 -5.722 -7.287 1.00 2.18 C ATOM 0 H LEU A 10 -4.967 -7.939 -2.927 1.00 0.34 H new ATOM 0 HA LEU A 10 -3.626 -5.580 -3.559 1.00 0.46 H new ATOM 0 HB2 LEU A 10 -4.556 -7.790 -4.907 1.00 0.60 H new ATOM 0 HB3 LEU A 10 -5.718 -6.587 -5.432 1.00 0.60 H new ATOM 0 HG LEU A 10 -3.166 -5.299 -5.618 1.00 0.74 H new ATOM 0 HD11 LEU A 10 -1.931 -6.900 -7.022 1.00 1.73 H new ATOM 0 HD12 LEU A 10 -2.180 -7.562 -5.389 1.00 1.73 H new ATOM 0 HD13 LEU A 10 -3.186 -8.130 -6.743 1.00 1.73 H new ATOM 0 HD21 LEU A 10 -3.701 -5.325 -8.002 1.00 2.18 H new ATOM 0 HD22 LEU A 10 -4.936 -6.576 -7.727 1.00 2.18 H new ATOM 0 HD23 LEU A 10 -5.148 -4.949 -7.036 1.00 2.18 H new ATOM 155 N LYS A 11 -6.941 -5.390 -3.563 1.00 0.46 N ATOM 156 CA LYS A 11 -8.041 -4.455 -3.412 1.00 0.51 C ATOM 157 C LYS A 11 -7.930 -3.760 -2.066 1.00 0.51 C ATOM 158 O LYS A 11 -8.121 -2.554 -1.975 1.00 0.70 O ATOM 159 CB LYS A 11 -9.386 -5.167 -3.541 1.00 0.57 C ATOM 160 CG LYS A 11 -9.829 -5.298 -5.002 1.00 1.64 C ATOM 161 CD LYS A 11 -9.661 -6.711 -5.563 1.00 1.91 C ATOM 162 CE LYS A 11 -10.284 -6.776 -6.962 1.00 2.62 C ATOM 163 NZ LYS A 11 -11.753 -6.583 -6.928 1.00 2.82 N ATOM 0 H LYS A 11 -7.215 -6.368 -3.655 1.00 0.46 H new ATOM 0 HA LYS A 11 -7.984 -3.711 -4.207 1.00 0.51 H new ATOM 0 HB2 LYS A 11 -9.316 -6.158 -3.093 1.00 0.57 H new ATOM 0 HB3 LYS A 11 -10.142 -4.617 -2.981 1.00 0.57 H new ATOM 0 HG2 LYS A 11 -10.875 -5.004 -5.084 1.00 1.64 H new ATOM 0 HG3 LYS A 11 -9.254 -4.602 -5.612 1.00 1.64 H new ATOM 0 HD2 LYS A 11 -8.604 -6.973 -5.610 1.00 1.91 H new ATOM 0 HD3 LYS A 11 -10.140 -7.436 -4.905 1.00 1.91 H new ATOM 0 HE2 LYS A 11 -9.833 -6.012 -7.595 1.00 2.62 H new ATOM 0 HE3 LYS A 11 -10.056 -7.741 -7.415 1.00 2.62 H new ATOM 0 HZ1 LYS A 11 -12.175 -6.975 -7.794 1.00 2.82 H new ATOM 0 HZ2 LYS A 11 -12.148 -7.071 -6.099 1.00 2.82 H new ATOM 0 HZ3 LYS A 11 -11.968 -5.567 -6.867 1.00 2.82 H new ATOM 177 N GLN A 12 -7.568 -4.501 -1.024 1.00 0.46 N ATOM 178 CA GLN A 12 -7.443 -3.942 0.313 1.00 0.48 C ATOM 179 C GLN A 12 -6.389 -2.830 0.341 1.00 0.43 C ATOM 180 O GLN A 12 -6.541 -1.833 1.041 1.00 0.52 O ATOM 181 CB GLN A 12 -7.119 -5.059 1.315 1.00 0.58 C ATOM 182 CG GLN A 12 -8.035 -5.084 2.549 1.00 0.95 C ATOM 183 CD GLN A 12 -8.816 -6.397 2.652 1.00 1.61 C ATOM 184 OE1 GLN A 12 -8.298 -7.470 2.368 1.00 3.12 O ATOM 185 NE2 GLN A 12 -10.066 -6.350 3.091 1.00 2.12 N ATOM 0 H GLN A 12 -7.355 -5.497 -1.083 1.00 0.46 H new ATOM 0 HA GLN A 12 -8.392 -3.491 0.603 1.00 0.48 H new ATOM 0 HB2 GLN A 12 -7.188 -6.020 0.805 1.00 0.58 H new ATOM 0 HB3 GLN A 12 -6.086 -4.947 1.645 1.00 0.58 H new ATOM 0 HG2 GLN A 12 -7.436 -4.946 3.449 1.00 0.95 H new ATOM 0 HG3 GLN A 12 -8.734 -4.249 2.500 1.00 0.95 H new ATOM 0 HE21 GLN A 12 -10.491 -5.453 3.326 1.00 2.12 H new ATOM 0 HE22 GLN A 12 -10.603 -7.211 3.194 1.00 2.12 H new ATOM 194 N VAL A 13 -5.297 -2.991 -0.403 1.00 0.37 N ATOM 195 CA VAL A 13 -4.230 -2.011 -0.489 1.00 0.40 C ATOM 196 C VAL A 13 -4.828 -0.753 -1.088 1.00 0.39 C ATOM 197 O VAL A 13 -4.620 0.338 -0.565 1.00 0.44 O ATOM 198 CB VAL A 13 -3.049 -2.607 -1.282 1.00 0.44 C ATOM 199 CG1 VAL A 13 -2.221 -1.555 -2.020 1.00 0.71 C ATOM 200 CG2 VAL A 13 -2.118 -3.377 -0.340 1.00 0.65 C ATOM 0 H VAL A 13 -5.131 -3.822 -0.971 1.00 0.37 H new ATOM 0 HA VAL A 13 -3.814 -1.746 0.483 1.00 0.40 H new ATOM 0 HB VAL A 13 -3.492 -3.267 -2.028 1.00 0.44 H new ATOM 0 HG11 VAL A 13 -1.407 -2.043 -2.557 1.00 0.71 H new ATOM 0 HG12 VAL A 13 -2.856 -1.024 -2.729 1.00 0.71 H new ATOM 0 HG13 VAL A 13 -1.808 -0.847 -1.301 1.00 0.71 H new ATOM 0 HG21 VAL A 13 -1.288 -3.794 -0.910 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -1.732 -2.701 0.423 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -2.672 -4.185 0.138 1.00 0.65 H new ATOM 210 N GLU A 14 -5.612 -0.907 -2.152 1.00 0.38 N ATOM 211 CA GLU A 14 -6.292 0.211 -2.770 1.00 0.42 C ATOM 212 C GLU A 14 -7.240 0.893 -1.784 1.00 0.36 C ATOM 213 O GLU A 14 -7.279 2.116 -1.742 1.00 0.38 O ATOM 214 CB GLU A 14 -6.987 -0.269 -4.049 1.00 0.57 C ATOM 215 CG GLU A 14 -7.110 0.840 -5.095 1.00 1.72 C ATOM 216 CD GLU A 14 -8.131 1.926 -4.772 1.00 2.72 C ATOM 217 OE1 GLU A 14 -9.217 1.562 -4.280 1.00 3.27 O ATOM 218 OE2 GLU A 14 -7.837 3.095 -5.102 1.00 4.11 O ATOM 0 H GLU A 14 -5.788 -1.805 -2.602 1.00 0.38 H new ATOM 0 HA GLU A 14 -5.570 0.976 -3.054 1.00 0.42 H new ATOM 0 HB2 GLU A 14 -6.428 -1.104 -4.472 1.00 0.57 H new ATOM 0 HB3 GLU A 14 -7.980 -0.643 -3.801 1.00 0.57 H new ATOM 0 HG2 GLU A 14 -6.134 1.308 -5.222 1.00 1.72 H new ATOM 0 HG3 GLU A 14 -7.374 0.388 -6.051 1.00 1.72 H new ATOM 225 N TYR A 15 -7.946 0.130 -0.948 1.00 0.35 N ATOM 226 CA TYR A 15 -8.944 0.613 -0.003 1.00 0.34 C ATOM 227 C TYR A 15 -8.349 1.667 0.936 1.00 0.33 C ATOM 228 O TYR A 15 -8.989 2.682 1.196 1.00 0.40 O ATOM 229 CB TYR A 15 -9.586 -0.584 0.721 1.00 0.37 C ATOM 230 CG TYR A 15 -9.814 -0.419 2.209 1.00 0.49 C ATOM 231 CD1 TYR A 15 -8.747 -0.610 3.105 1.00 0.65 C ATOM 232 CD2 TYR A 15 -11.081 -0.060 2.699 1.00 0.91 C ATOM 233 CE1 TYR A 15 -8.927 -0.420 4.480 1.00 0.88 C ATOM 234 CE2 TYR A 15 -11.276 0.122 4.079 1.00 1.14 C ATOM 235 CZ TYR A 15 -10.196 -0.052 4.978 1.00 1.05 C ATOM 236 OH TYR A 15 -10.364 0.137 6.319 1.00 1.40 O ATOM 0 H TYR A 15 -7.830 -0.883 -0.912 1.00 0.35 H new ATOM 0 HA TYR A 15 -9.745 1.127 -0.534 1.00 0.34 H new ATOM 0 HB2 TYR A 15 -10.545 -0.796 0.249 1.00 0.37 H new ATOM 0 HB3 TYR A 15 -8.954 -1.458 0.566 1.00 0.37 H new ATOM 0 HD1 TYR A 15 -7.779 -0.906 2.728 1.00 0.65 H new ATOM 0 HD2 TYR A 15 -11.906 0.076 2.015 1.00 0.91 H new ATOM 0 HE1 TYR A 15 -8.097 -0.555 5.158 1.00 0.88 H new ATOM 0 HE2 TYR A 15 -12.251 0.395 4.454 1.00 1.14 H new ATOM 0 HH TYR A 15 -11.294 0.388 6.500 1.00 1.40 H new ATOM 246 N TYR A 16 -7.112 1.469 1.409 1.00 0.32 N ATOM 247 CA TYR A 16 -6.439 2.421 2.297 1.00 0.39 C ATOM 248 C TYR A 16 -6.128 3.771 1.634 1.00 0.52 C ATOM 249 O TYR A 16 -5.686 4.706 2.300 1.00 1.03 O ATOM 250 CB TYR A 16 -5.153 1.798 2.844 1.00 0.44 C ATOM 251 CG TYR A 16 -5.311 1.127 4.197 1.00 0.56 C ATOM 252 CD1 TYR A 16 -5.655 1.896 5.325 1.00 2.15 C ATOM 253 CD2 TYR A 16 -5.013 -0.236 4.348 1.00 1.67 C ATOM 254 CE1 TYR A 16 -5.684 1.308 6.602 1.00 2.48 C ATOM 255 CE2 TYR A 16 -5.004 -0.823 5.626 1.00 1.60 C ATOM 256 CZ TYR A 16 -5.330 -0.050 6.763 1.00 1.26 C ATOM 257 OH TYR A 16 -5.312 -0.606 8.010 1.00 1.62 O ATOM 0 H TYR A 16 -6.552 0.646 1.187 1.00 0.32 H new ATOM 0 HA TYR A 16 -7.135 2.633 3.108 1.00 0.39 H new ATOM 0 HB2 TYR A 16 -4.786 1.063 2.128 1.00 0.44 H new ATOM 0 HB3 TYR A 16 -4.392 2.574 2.923 1.00 0.44 H new ATOM 0 HD1 TYR A 16 -5.898 2.942 5.209 1.00 2.15 H new ATOM 0 HD2 TYR A 16 -4.790 -0.837 3.479 1.00 1.67 H new ATOM 0 HE1 TYR A 16 -5.977 1.895 7.460 1.00 2.48 H new ATOM 0 HE2 TYR A 16 -4.748 -1.866 5.739 1.00 1.60 H new ATOM 0 HH TYR A 16 -4.526 -1.185 8.099 1.00 1.62 H new ATOM 267 N PHE A 17 -6.330 3.869 0.326 1.00 0.39 N ATOM 268 CA PHE A 17 -6.330 5.118 -0.420 1.00 0.49 C ATOM 269 C PHE A 17 -7.741 5.489 -0.885 1.00 0.63 C ATOM 270 O PHE A 17 -8.036 6.667 -1.087 1.00 0.97 O ATOM 271 CB PHE A 17 -5.309 5.024 -1.561 1.00 0.56 C ATOM 272 CG PHE A 17 -3.914 4.756 -1.030 1.00 0.66 C ATOM 273 CD1 PHE A 17 -3.495 3.433 -0.798 1.00 0.92 C ATOM 274 CD2 PHE A 17 -3.081 5.826 -0.656 1.00 1.28 C ATOM 275 CE1 PHE A 17 -2.274 3.177 -0.151 1.00 1.10 C ATOM 276 CE2 PHE A 17 -1.857 5.572 -0.016 1.00 1.59 C ATOM 277 CZ PHE A 17 -1.465 4.250 0.256 1.00 1.30 C ATOM 0 H PHE A 17 -6.504 3.054 -0.262 1.00 0.39 H new ATOM 0 HA PHE A 17 -6.020 5.938 0.227 1.00 0.49 H new ATOM 0 HB2 PHE A 17 -5.599 4.228 -2.247 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -5.311 5.953 -2.132 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -4.115 2.609 -1.119 1.00 0.92 H new ATOM 0 HD2 PHE A 17 -3.383 6.843 -0.861 1.00 1.28 H new ATOM 0 HE1 PHE A 17 -1.960 2.160 0.032 1.00 1.10 H new ATOM 0 HE2 PHE A 17 -1.216 6.394 0.268 1.00 1.59 H new ATOM 0 HZ PHE A 17 -0.540 4.059 0.779 1.00 1.30 H new ATOM 287 N SER A 18 -8.616 4.497 -1.045 1.00 0.49 N ATOM 288 CA SER A 18 -9.937 4.630 -1.630 1.00 0.63 C ATOM 289 C SER A 18 -10.890 5.374 -0.718 1.00 0.54 C ATOM 290 O SER A 18 -11.661 6.225 -1.154 1.00 0.73 O ATOM 291 CB SER A 18 -10.474 3.255 -2.001 1.00 0.98 C ATOM 292 OG SER A 18 -11.099 3.299 -3.263 1.00 0.78 O ATOM 0 H SER A 18 -8.409 3.541 -0.756 1.00 0.49 H new ATOM 0 HA SER A 18 -9.852 5.229 -2.536 1.00 0.63 H new ATOM 0 HB2 SER A 18 -9.660 2.531 -2.016 1.00 0.98 H new ATOM 0 HB3 SER A 18 -11.185 2.919 -1.247 1.00 0.98 H new ATOM 0 HG SER A 18 -11.388 2.398 -3.517 1.00 0.78 H new ATOM 298 N ASP A 19 -10.794 5.106 0.579 1.00 0.51 N ATOM 299 CA ASP A 19 -11.696 5.637 1.591 1.00 0.62 C ATOM 300 C ASP A 19 -11.327 7.079 1.966 1.00 0.59 C ATOM 301 O ASP A 19 -11.793 7.625 2.959 1.00 0.79 O ATOM 302 CB ASP A 19 -11.583 4.655 2.759 1.00 0.78 C ATOM 303 CG ASP A 19 -12.394 5.009 4.004 1.00 1.16 C ATOM 304 OD1 ASP A 19 -13.625 5.180 3.860 1.00 1.88 O ATOM 305 OD2 ASP A 19 -11.779 5.018 5.098 1.00 2.02 O ATOM 0 H ASP A 19 -10.070 4.499 0.964 1.00 0.51 H new ATOM 0 HA ASP A 19 -12.727 5.711 1.246 1.00 0.62 H new ATOM 0 HB2 ASP A 19 -11.895 3.670 2.413 1.00 0.78 H new ATOM 0 HB3 ASP A 19 -10.533 4.575 3.042 1.00 0.78 H new ATOM 310 N SER A 20 -10.471 7.724 1.161 1.00 0.49 N ATOM 311 CA SER A 20 -9.881 9.029 1.431 1.00 0.59 C ATOM 312 C SER A 20 -9.346 9.104 2.865 1.00 0.66 C ATOM 313 O SER A 20 -9.290 10.165 3.488 1.00 0.78 O ATOM 314 CB SER A 20 -10.897 10.121 1.093 1.00 0.78 C ATOM 315 OG SER A 20 -10.231 11.310 0.711 1.00 1.83 O ATOM 0 H SER A 20 -10.163 7.330 0.272 1.00 0.49 H new ATOM 0 HA SER A 20 -9.012 9.189 0.792 1.00 0.59 H new ATOM 0 HB2 SER A 20 -11.547 9.785 0.285 1.00 0.78 H new ATOM 0 HB3 SER A 20 -11.534 10.314 1.956 1.00 0.78 H new ATOM 0 HG SER A 20 -10.892 12.001 0.496 1.00 1.83 H new ATOM 321 N ASN A 21 -8.902 7.958 3.382 1.00 0.62 N ATOM 322 CA ASN A 21 -8.319 7.832 4.700 1.00 0.65 C ATOM 323 C ASN A 21 -6.806 7.984 4.644 1.00 0.42 C ATOM 324 O ASN A 21 -6.223 8.276 5.678 1.00 0.47 O ATOM 325 CB ASN A 21 -8.759 6.532 5.391 1.00 0.86 C ATOM 326 CG ASN A 21 -8.393 5.267 4.626 1.00 2.14 C ATOM 327 OD1 ASN A 21 -8.158 5.305 3.425 1.00 4.19 O ATOM 328 ND2 ASN A 21 -8.361 4.126 5.301 1.00 2.34 N ATOM 0 H ASN A 21 -8.943 7.074 2.875 1.00 0.62 H new ATOM 0 HA ASN A 21 -8.696 8.648 5.317 1.00 0.65 H new ATOM 0 HB2 ASN A 21 -8.306 6.488 6.382 1.00 0.86 H new ATOM 0 HB3 ASN A 21 -9.839 6.557 5.535 1.00 0.86 H new ATOM 0 HD21 ASN A 21 -8.137 3.255 4.820 1.00 2.34 H new ATOM 0 HD22 ASN A 21 -8.560 4.119 6.301 1.00 2.34 H new ATOM 335 N PHE A 22 -6.156 7.901 3.476 1.00 0.37 N ATOM 336 CA PHE A 22 -4.724 8.177 3.389 1.00 0.43 C ATOM 337 C PHE A 22 -4.390 9.574 3.918 1.00 0.53 C ATOM 338 O PHE A 22 -3.521 9.692 4.779 1.00 0.54 O ATOM 339 CB PHE A 22 -4.172 7.913 1.971 1.00 0.60 C ATOM 340 CG PHE A 22 -3.442 9.058 1.292 1.00 0.59 C ATOM 341 CD1 PHE A 22 -2.256 9.581 1.841 1.00 1.69 C ATOM 342 CD2 PHE A 22 -3.982 9.639 0.129 1.00 2.01 C ATOM 343 CE1 PHE A 22 -1.665 10.724 1.279 1.00 1.78 C ATOM 344 CE2 PHE A 22 -3.389 10.780 -0.432 1.00 2.37 C ATOM 345 CZ PHE A 22 -2.233 11.331 0.149 1.00 1.50 C ATOM 0 H PHE A 22 -6.596 7.648 2.591 1.00 0.37 H new ATOM 0 HA PHE A 22 -4.209 7.473 4.042 1.00 0.43 H new ATOM 0 HB2 PHE A 22 -3.493 7.062 2.025 1.00 0.60 H new ATOM 0 HB3 PHE A 22 -5.004 7.616 1.333 1.00 0.60 H new ATOM 0 HD1 PHE A 22 -1.800 9.103 2.695 1.00 1.69 H new ATOM 0 HD2 PHE A 22 -4.856 9.205 -0.333 1.00 2.01 H new ATOM 0 HE1 PHE A 22 -0.769 11.138 1.719 1.00 1.78 H new ATOM 0 HE2 PHE A 22 -3.821 11.236 -1.311 1.00 2.37 H new ATOM 0 HZ PHE A 22 -1.784 12.218 -0.273 1.00 1.50 H new ATOM 355 N PRO A 23 -5.034 10.652 3.446 1.00 0.65 N ATOM 356 CA PRO A 23 -4.636 11.979 3.860 1.00 0.88 C ATOM 357 C PRO A 23 -5.045 12.251 5.311 1.00 0.87 C ATOM 358 O PRO A 23 -4.502 13.154 5.946 1.00 1.02 O ATOM 359 CB PRO A 23 -5.303 12.929 2.863 1.00 1.13 C ATOM 360 CG PRO A 23 -6.550 12.172 2.406 1.00 0.99 C ATOM 361 CD PRO A 23 -6.156 10.702 2.526 1.00 0.63 C ATOM 0 HA PRO A 23 -3.554 12.111 3.850 1.00 0.88 H new ATOM 0 HB2 PRO A 23 -5.562 13.879 3.330 1.00 1.13 H new ATOM 0 HB3 PRO A 23 -4.644 13.155 2.025 1.00 1.13 H new ATOM 0 HG2 PRO A 23 -7.411 12.407 3.032 1.00 0.99 H new ATOM 0 HG3 PRO A 23 -6.821 12.430 1.382 1.00 0.99 H new ATOM 0 HD2 PRO A 23 -6.989 10.106 2.897 1.00 0.63 H new ATOM 0 HD3 PRO A 23 -5.880 10.293 1.554 1.00 0.63 H new ATOM 369 N ARG A 24 -6.014 11.492 5.838 1.00 0.79 N ATOM 370 CA ARG A 24 -6.554 11.684 7.176 1.00 0.91 C ATOM 371 C ARG A 24 -5.832 10.819 8.203 1.00 0.68 C ATOM 372 O ARG A 24 -5.865 11.133 9.390 1.00 0.75 O ATOM 373 CB ARG A 24 -8.066 11.407 7.126 1.00 1.18 C ATOM 374 CG ARG A 24 -8.812 11.871 8.385 1.00 1.46 C ATOM 375 CD ARG A 24 -9.073 10.729 9.373 1.00 1.68 C ATOM 376 NE ARG A 24 -9.692 11.237 10.606 1.00 2.23 N ATOM 377 CZ ARG A 24 -10.003 10.496 11.676 1.00 2.78 C ATOM 378 NH1 ARG A 24 -9.790 9.179 11.663 1.00 3.09 N ATOM 379 NH2 ARG A 24 -10.526 11.074 12.759 1.00 3.43 N ATOM 0 H ARG A 24 -6.446 10.718 5.334 1.00 0.79 H new ATOM 0 HA ARG A 24 -6.392 12.712 7.501 1.00 0.91 H new ATOM 0 HB2 ARG A 24 -8.491 11.907 6.256 1.00 1.18 H new ATOM 0 HB3 ARG A 24 -8.228 10.338 6.990 1.00 1.18 H new ATOM 0 HG2 ARG A 24 -8.231 12.649 8.881 1.00 1.46 H new ATOM 0 HG3 ARG A 24 -9.762 12.319 8.095 1.00 1.46 H new ATOM 0 HD2 ARG A 24 -9.724 9.986 8.913 1.00 1.68 H new ATOM 0 HD3 ARG A 24 -8.135 10.227 9.612 1.00 1.68 H new ATOM 0 HE ARG A 24 -9.901 12.234 10.649 1.00 2.23 H new ATOM 0 HH11 ARG A 24 -9.389 8.735 10.837 1.00 3.09 H new ATOM 0 HH12 ARG A 24 -10.028 8.616 12.480 1.00 3.09 H new ATOM 0 HH21 ARG A 24 -10.689 12.081 12.771 1.00 3.43 H new ATOM 0 HH22 ARG A 24 -10.763 10.509 13.574 1.00 3.43 H new ATOM 393 N ASP A 25 -5.194 9.732 7.778 1.00 0.53 N ATOM 394 CA ASP A 25 -4.449 8.868 8.669 1.00 0.46 C ATOM 395 C ASP A 25 -3.000 9.323 8.639 1.00 0.37 C ATOM 396 O ASP A 25 -2.287 9.123 7.663 1.00 0.35 O ATOM 397 CB ASP A 25 -4.567 7.398 8.256 1.00 0.50 C ATOM 398 CG ASP A 25 -3.774 6.503 9.210 1.00 1.68 C ATOM 399 OD1 ASP A 25 -3.213 7.046 10.191 1.00 2.92 O ATOM 400 OD2 ASP A 25 -3.721 5.284 8.941 1.00 2.49 O ATOM 0 H ASP A 25 -5.183 9.431 6.804 1.00 0.53 H new ATOM 0 HA ASP A 25 -4.853 8.939 9.679 1.00 0.46 H new ATOM 0 HB2 ASP A 25 -5.615 7.098 8.255 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -4.198 7.270 7.238 1.00 0.50 H new ATOM 405 N LYS A 26 -2.554 9.904 9.746 1.00 0.36 N ATOM 406 CA LYS A 26 -1.193 10.383 9.963 1.00 0.35 C ATOM 407 C LYS A 26 -0.146 9.333 9.587 1.00 0.33 C ATOM 408 O LYS A 26 0.934 9.706 9.143 1.00 0.34 O ATOM 409 CB LYS A 26 -1.053 10.831 11.426 1.00 0.52 C ATOM 410 CG LYS A 26 -1.203 9.632 12.381 1.00 2.04 C ATOM 411 CD LYS A 26 -1.805 9.977 13.747 1.00 2.62 C ATOM 412 CE LYS A 26 -0.736 10.349 14.776 1.00 3.44 C ATOM 413 NZ LYS A 26 -1.264 10.236 16.154 1.00 4.59 N ATOM 0 H LYS A 26 -3.157 10.061 10.553 1.00 0.36 H new ATOM 0 HA LYS A 26 -1.008 11.234 9.307 1.00 0.35 H new ATOM 0 HB2 LYS A 26 -0.081 11.302 11.576 1.00 0.52 H new ATOM 0 HB3 LYS A 26 -1.809 11.581 11.655 1.00 0.52 H new ATOM 0 HG2 LYS A 26 -1.829 8.879 11.902 1.00 2.04 H new ATOM 0 HG3 LYS A 26 -0.223 9.181 12.534 1.00 2.04 H new ATOM 0 HD2 LYS A 26 -2.502 10.807 13.635 1.00 2.62 H new ATOM 0 HD3 LYS A 26 -2.379 9.126 14.114 1.00 2.62 H new ATOM 0 HE2 LYS A 26 0.129 9.696 14.659 1.00 3.44 H new ATOM 0 HE3 LYS A 26 -0.393 11.368 14.597 1.00 3.44 H new ATOM 0 HZ1 LYS A 26 -0.520 10.494 16.833 1.00 4.59 H new ATOM 0 HZ2 LYS A 26 -2.075 10.877 16.269 1.00 4.59 H new ATOM 0 HZ3 LYS A 26 -1.569 9.257 16.330 1.00 4.59 H new ATOM 427 N PHE A 27 -0.447 8.046 9.755 1.00 0.35 N ATOM 428 CA PHE A 27 0.413 6.940 9.360 1.00 0.37 C ATOM 429 C PHE A 27 0.728 7.043 7.866 1.00 0.35 C ATOM 430 O PHE A 27 1.881 7.202 7.467 1.00 0.41 O ATOM 431 CB PHE A 27 -0.323 5.641 9.711 1.00 0.43 C ATOM 432 CG PHE A 27 0.493 4.370 9.646 1.00 0.42 C ATOM 433 CD1 PHE A 27 1.706 4.281 10.350 1.00 1.78 C ATOM 434 CD2 PHE A 27 0.001 3.246 8.955 1.00 1.96 C ATOM 435 CE1 PHE A 27 2.426 3.077 10.362 1.00 1.76 C ATOM 436 CE2 PHE A 27 0.716 2.036 8.980 1.00 1.99 C ATOM 437 CZ PHE A 27 1.926 1.950 9.685 1.00 0.49 C ATOM 0 H PHE A 27 -1.321 7.739 10.182 1.00 0.35 H new ATOM 0 HA PHE A 27 1.368 6.962 9.886 1.00 0.37 H new ATOM 0 HB2 PHE A 27 -0.726 5.738 10.719 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -1.173 5.537 9.037 1.00 0.43 H new ATOM 0 HD1 PHE A 27 2.085 5.141 10.883 1.00 1.78 H new ATOM 0 HD2 PHE A 27 -0.926 3.314 8.405 1.00 1.96 H new ATOM 0 HE1 PHE A 27 3.365 3.015 10.892 1.00 1.76 H new ATOM 0 HE2 PHE A 27 0.334 1.172 8.456 1.00 1.99 H new ATOM 0 HZ PHE A 27 2.473 1.019 9.708 1.00 0.49 H new ATOM 447 N LEU A 28 -0.314 7.004 7.035 1.00 0.32 N ATOM 448 CA LEU A 28 -0.159 7.038 5.585 1.00 0.32 C ATOM 449 C LEU A 28 0.336 8.398 5.135 1.00 0.45 C ATOM 450 O LEU A 28 1.109 8.512 4.203 1.00 0.81 O ATOM 451 CB LEU A 28 -1.506 6.782 4.910 1.00 0.30 C ATOM 452 CG LEU A 28 -1.805 5.284 4.780 1.00 0.40 C ATOM 453 CD1 LEU A 28 -3.204 4.986 5.336 1.00 0.53 C ATOM 454 CD2 LEU A 28 -1.667 4.906 3.303 1.00 0.57 C ATOM 0 H LEU A 28 -1.283 6.948 7.348 1.00 0.32 H new ATOM 0 HA LEU A 28 0.561 6.268 5.307 1.00 0.32 H new ATOM 0 HB2 LEU A 28 -2.298 7.261 5.486 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -1.509 7.240 3.921 1.00 0.30 H new ATOM 0 HG LEU A 28 -1.104 4.684 5.360 1.00 0.40 H new ATOM 0 HD11 LEU A 28 -3.413 3.920 5.242 1.00 0.53 H new ATOM 0 HD12 LEU A 28 -3.247 5.273 6.387 1.00 0.53 H new ATOM 0 HD13 LEU A 28 -3.947 5.553 4.775 1.00 0.53 H new ATOM 0 HD21 LEU A 28 -1.874 3.843 3.179 1.00 0.57 H new ATOM 0 HD22 LEU A 28 -2.376 5.486 2.711 1.00 0.57 H new ATOM 0 HD23 LEU A 28 -0.653 5.120 2.966 1.00 0.57 H new ATOM 466 N ARG A 29 -0.110 9.469 5.766 1.00 0.31 N ATOM 467 CA ARG A 29 0.334 10.800 5.414 1.00 0.36 C ATOM 468 C ARG A 29 1.824 10.944 5.727 1.00 0.37 C ATOM 469 O ARG A 29 2.504 11.716 5.064 1.00 0.39 O ATOM 470 CB ARG A 29 -0.540 11.834 6.128 1.00 0.43 C ATOM 471 CG ARG A 29 -0.389 13.207 5.469 1.00 1.23 C ATOM 472 CD ARG A 29 -1.102 14.276 6.305 1.00 1.51 C ATOM 473 NE ARG A 29 -0.394 15.566 6.247 1.00 2.28 N ATOM 474 CZ ARG A 29 0.787 15.817 6.831 1.00 3.37 C ATOM 475 NH1 ARG A 29 1.411 14.859 7.520 1.00 4.40 N ATOM 476 NH2 ARG A 29 1.347 17.022 6.724 1.00 4.14 N ATOM 0 H ARG A 29 -0.785 9.439 6.530 1.00 0.31 H new ATOM 0 HA ARG A 29 0.221 10.976 4.344 1.00 0.36 H new ATOM 0 HB2 ARG A 29 -1.584 11.521 6.096 1.00 0.43 H new ATOM 0 HB3 ARG A 29 -0.257 11.895 7.179 1.00 0.43 H new ATOM 0 HG2 ARG A 29 0.667 13.457 5.370 1.00 1.23 H new ATOM 0 HG3 ARG A 29 -0.807 13.183 4.462 1.00 1.23 H new ATOM 0 HD2 ARG A 29 -2.122 14.403 5.942 1.00 1.51 H new ATOM 0 HD3 ARG A 29 -1.171 13.944 7.341 1.00 1.51 H new ATOM 0 HE ARG A 29 -0.834 16.324 5.725 1.00 2.28 H new ATOM 0 HH11 ARG A 29 0.990 13.934 7.603 1.00 4.40 H new ATOM 0 HH12 ARG A 29 2.309 15.052 7.963 1.00 4.40 H new ATOM 0 HH21 ARG A 29 0.877 17.758 6.196 1.00 4.14 H new ATOM 0 HH22 ARG A 29 2.245 17.208 7.170 1.00 4.14 H new ATOM 490 N SER A 30 2.344 10.233 6.730 1.00 0.38 N ATOM 491 CA SER A 30 3.756 10.276 7.073 1.00 0.43 C ATOM 492 C SER A 30 4.581 9.643 5.957 1.00 0.45 C ATOM 493 O SER A 30 5.570 10.235 5.519 1.00 0.55 O ATOM 494 CB SER A 30 3.990 9.567 8.412 1.00 0.46 C ATOM 495 OG SER A 30 5.317 9.758 8.856 1.00 1.43 O ATOM 0 H SER A 30 1.793 9.613 7.324 1.00 0.38 H new ATOM 0 HA SER A 30 4.074 11.313 7.181 1.00 0.43 H new ATOM 0 HB2 SER A 30 3.294 9.950 9.158 1.00 0.46 H new ATOM 0 HB3 SER A 30 3.788 8.501 8.305 1.00 0.46 H new ATOM 0 HG SER A 30 5.445 9.299 9.712 1.00 1.43 H new ATOM 501 N GLU A 31 4.192 8.454 5.478 1.00 0.40 N ATOM 502 CA GLU A 31 4.948 7.832 4.394 1.00 0.46 C ATOM 503 C GLU A 31 4.813 8.688 3.142 1.00 0.35 C ATOM 504 O GLU A 31 5.797 9.028 2.490 1.00 0.37 O ATOM 505 CB GLU A 31 4.529 6.372 4.152 1.00 0.58 C ATOM 506 CG GLU A 31 3.153 6.155 3.531 1.00 3.06 C ATOM 507 CD GLU A 31 2.836 4.675 3.358 1.00 4.80 C ATOM 508 OE1 GLU A 31 3.804 3.882 3.306 1.00 4.95 O ATOM 509 OE2 GLU A 31 1.629 4.362 3.269 1.00 6.49 O ATOM 0 H GLU A 31 3.388 7.923 5.812 1.00 0.40 H new ATOM 0 HA GLU A 31 5.999 7.786 4.678 1.00 0.46 H new ATOM 0 HB2 GLU A 31 5.273 5.906 3.506 1.00 0.58 H new ATOM 0 HB3 GLU A 31 4.560 5.845 5.106 1.00 0.58 H new ATOM 0 HG2 GLU A 31 2.393 6.618 4.161 1.00 3.06 H new ATOM 0 HG3 GLU A 31 3.110 6.652 2.562 1.00 3.06 H new ATOM 516 N ALA A 32 3.579 9.091 2.855 1.00 0.28 N ATOM 517 CA ALA A 32 3.216 9.782 1.638 1.00 0.33 C ATOM 518 C ALA A 32 3.961 11.113 1.552 1.00 0.37 C ATOM 519 O ALA A 32 4.391 11.522 0.476 1.00 0.42 O ATOM 520 CB ALA A 32 1.702 9.967 1.643 1.00 0.34 C ATOM 0 H ALA A 32 2.790 8.939 3.483 1.00 0.28 H new ATOM 0 HA ALA A 32 3.500 9.207 0.757 1.00 0.33 H new ATOM 0 HB1 ALA A 32 1.396 10.487 0.735 1.00 0.34 H new ATOM 0 HB2 ALA A 32 1.216 8.992 1.684 1.00 0.34 H new ATOM 0 HB3 ALA A 32 1.410 10.555 2.513 1.00 0.34 H new ATOM 526 N ALA A 33 4.183 11.765 2.697 1.00 0.39 N ATOM 527 CA ALA A 33 4.904 13.024 2.811 1.00 0.45 C ATOM 528 C ALA A 33 6.383 12.922 2.416 1.00 0.47 C ATOM 529 O ALA A 33 7.090 13.923 2.486 1.00 0.59 O ATOM 530 CB ALA A 33 4.776 13.565 4.241 1.00 0.51 C ATOM 0 H ALA A 33 3.853 11.415 3.596 1.00 0.39 H new ATOM 0 HA ALA A 33 4.446 13.713 2.101 1.00 0.45 H new ATOM 0 HB1 ALA A 33 5.317 14.508 4.323 1.00 0.51 H new ATOM 0 HB2 ALA A 33 3.724 13.729 4.475 1.00 0.51 H new ATOM 0 HB3 ALA A 33 5.196 12.844 4.942 1.00 0.51 H new ATOM 536 N LYS A 34 6.891 11.765 1.980 1.00 0.46 N ATOM 537 CA LYS A 34 8.211 11.703 1.385 1.00 0.51 C ATOM 538 C LYS A 34 8.139 12.112 -0.095 1.00 0.51 C ATOM 539 O LYS A 34 9.150 12.572 -0.610 1.00 0.61 O ATOM 540 CB LYS A 34 8.784 10.291 1.556 1.00 0.54 C ATOM 541 CG LYS A 34 9.601 10.070 2.839 1.00 0.75 C ATOM 542 CD LYS A 34 8.757 10.014 4.123 1.00 1.13 C ATOM 543 CE LYS A 34 8.558 11.378 4.789 1.00 1.67 C ATOM 544 NZ LYS A 34 9.804 11.868 5.420 1.00 2.44 N ATOM 0 H LYS A 34 6.405 10.870 2.031 1.00 0.46 H new ATOM 0 HA LYS A 34 8.878 12.402 1.889 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.960 9.577 1.541 1.00 0.54 H new ATOM 0 HB3 LYS A 34 9.417 10.066 0.697 1.00 0.54 H new ATOM 0 HG2 LYS A 34 10.160 9.139 2.744 1.00 0.75 H new ATOM 0 HG3 LYS A 34 10.332 10.873 2.933 1.00 0.75 H new ATOM 0 HD2 LYS A 34 7.781 9.589 3.888 1.00 1.13 H new ATOM 0 HD3 LYS A 34 9.236 9.339 4.833 1.00 1.13 H new ATOM 0 HE2 LYS A 34 8.219 12.099 4.046 1.00 1.67 H new ATOM 0 HE3 LYS A 34 7.774 11.304 5.542 1.00 1.67 H new ATOM 0 HZ1 LYS A 34 9.596 12.714 5.988 1.00 2.44 H new ATOM 0 HZ2 LYS A 34 10.197 11.127 6.035 1.00 2.44 H new ATOM 0 HZ3 LYS A 34 10.496 12.108 4.682 1.00 2.44 H new ATOM 558 N ASN A 35 6.990 11.982 -0.776 1.00 0.46 N ATOM 559 CA ASN A 35 6.727 12.579 -2.094 1.00 0.47 C ATOM 560 C ASN A 35 5.225 12.642 -2.382 1.00 0.46 C ATOM 561 O ASN A 35 4.757 11.941 -3.275 1.00 0.55 O ATOM 562 CB ASN A 35 7.420 11.795 -3.231 1.00 0.63 C ATOM 563 CG ASN A 35 8.857 12.222 -3.479 1.00 1.02 C ATOM 564 OD1 ASN A 35 9.154 13.408 -3.543 1.00 1.85 O ATOM 565 ND2 ASN A 35 9.755 11.271 -3.706 1.00 2.13 N ATOM 0 H ASN A 35 6.200 11.446 -0.417 1.00 0.46 H new ATOM 0 HA ASN A 35 7.137 13.589 -2.062 1.00 0.47 H new ATOM 0 HB2 ASN A 35 7.402 10.732 -2.991 1.00 0.63 H new ATOM 0 HB3 ASN A 35 6.848 11.924 -4.150 1.00 0.63 H new ATOM 0 HD21 ASN A 35 10.716 11.522 -3.939 1.00 2.13 H new ATOM 0 HD22 ASN A 35 9.484 10.289 -3.647 1.00 2.13 H new ATOM 572 N VAL A 36 4.476 13.517 -1.702 1.00 0.50 N ATOM 573 CA VAL A 36 3.032 13.714 -1.855 1.00 0.54 C ATOM 574 C VAL A 36 2.233 12.448 -1.514 1.00 0.50 C ATOM 575 O VAL A 36 1.592 12.418 -0.469 1.00 0.51 O ATOM 576 CB VAL A 36 2.727 14.307 -3.241 1.00 0.64 C ATOM 577 CG1 VAL A 36 1.224 14.398 -3.529 1.00 0.73 C ATOM 578 CG2 VAL A 36 3.330 15.712 -3.358 1.00 0.68 C ATOM 0 H VAL A 36 4.879 14.135 -0.998 1.00 0.50 H new ATOM 0 HA VAL A 36 2.692 14.445 -1.122 1.00 0.54 H new ATOM 0 HB VAL A 36 3.173 13.631 -3.971 1.00 0.64 H new ATOM 0 HG11 VAL A 36 1.069 14.824 -4.520 1.00 0.73 H new ATOM 0 HG12 VAL A 36 0.785 13.401 -3.489 1.00 0.73 H new ATOM 0 HG13 VAL A 36 0.748 15.034 -2.782 1.00 0.73 H new ATOM 0 HG21 VAL A 36 3.108 16.122 -4.343 1.00 0.68 H new ATOM 0 HG22 VAL A 36 2.901 16.357 -2.591 1.00 0.68 H new ATOM 0 HG23 VAL A 36 4.410 15.657 -3.223 1.00 0.68 H new ATOM 588 N ASP A 37 2.249 11.448 -2.399 1.00 0.49 N ATOM 589 CA ASP A 37 1.804 10.068 -2.182 1.00 0.49 C ATOM 590 C ASP A 37 2.417 9.159 -3.257 1.00 0.48 C ATOM 591 O ASP A 37 1.758 8.325 -3.874 1.00 0.59 O ATOM 592 CB ASP A 37 0.278 9.960 -2.192 1.00 0.70 C ATOM 593 CG ASP A 37 -0.135 8.587 -1.656 1.00 1.46 C ATOM 594 OD1 ASP A 37 0.257 8.288 -0.510 1.00 2.41 O ATOM 595 OD2 ASP A 37 -0.830 7.852 -2.390 1.00 2.26 O ATOM 0 H ASP A 37 2.596 11.589 -3.348 1.00 0.49 H new ATOM 0 HA ASP A 37 2.144 9.747 -1.197 1.00 0.49 H new ATOM 0 HB2 ASP A 37 -0.158 10.749 -1.579 1.00 0.70 H new ATOM 0 HB3 ASP A 37 -0.101 10.097 -3.205 1.00 0.70 H new ATOM 600 N ASN A 38 3.700 9.382 -3.546 1.00 0.41 N ATOM 601 CA ASN A 38 4.484 8.568 -4.467 1.00 0.46 C ATOM 602 C ASN A 38 5.532 7.742 -3.730 1.00 0.44 C ATOM 603 O ASN A 38 6.368 7.102 -4.365 1.00 0.74 O ATOM 604 CB ASN A 38 5.123 9.427 -5.570 1.00 0.51 C ATOM 605 CG ASN A 38 4.104 9.927 -6.584 1.00 1.08 C ATOM 606 OD1 ASN A 38 4.019 9.411 -7.691 1.00 2.14 O ATOM 607 ND2 ASN A 38 3.325 10.937 -6.228 1.00 1.80 N ATOM 0 H ASN A 38 4.231 10.150 -3.136 1.00 0.41 H new ATOM 0 HA ASN A 38 3.799 7.871 -4.949 1.00 0.46 H new ATOM 0 HB2 ASN A 38 5.627 10.280 -5.115 1.00 0.51 H new ATOM 0 HB3 ASN A 38 5.886 8.843 -6.084 1.00 0.51 H new ATOM 0 HD21 ASN A 38 2.634 11.303 -6.882 1.00 1.80 H new ATOM 0 HD22 ASN A 38 3.416 11.349 -5.299 1.00 1.80 H new ATOM 614 N TYR A 39 5.527 7.780 -2.397 1.00 0.43 N ATOM 615 CA TYR A 39 6.472 7.042 -1.589 1.00 0.48 C ATOM 616 C TYR A 39 5.662 6.418 -0.470 1.00 0.48 C ATOM 617 O TYR A 39 5.066 7.128 0.332 1.00 0.58 O ATOM 618 CB TYR A 39 7.581 7.970 -1.086 1.00 0.61 C ATOM 619 CG TYR A 39 8.858 7.250 -0.686 1.00 1.83 C ATOM 620 CD1 TYR A 39 8.842 6.224 0.280 1.00 3.63 C ATOM 621 CD2 TYR A 39 10.071 7.589 -1.317 1.00 2.10 C ATOM 622 CE1 TYR A 39 10.020 5.520 0.585 1.00 4.87 C ATOM 623 CE2 TYR A 39 11.257 6.903 -1.003 1.00 3.23 C ATOM 624 CZ TYR A 39 11.233 5.855 -0.055 1.00 4.48 C ATOM 625 OH TYR A 39 12.373 5.173 0.253 1.00 5.78 O ATOM 0 H TYR A 39 4.860 8.329 -1.854 1.00 0.43 H new ATOM 0 HA TYR A 39 6.985 6.262 -2.151 1.00 0.48 H new ATOM 0 HB2 TYR A 39 7.814 8.695 -1.865 1.00 0.61 H new ATOM 0 HB3 TYR A 39 7.209 8.531 -0.229 1.00 0.61 H new ATOM 0 HD1 TYR A 39 7.921 5.978 0.788 1.00 3.63 H new ATOM 0 HD2 TYR A 39 10.090 8.383 -2.049 1.00 2.10 H new ATOM 0 HE1 TYR A 39 9.997 4.721 1.311 1.00 4.87 H new ATOM 0 HE2 TYR A 39 12.184 7.176 -1.485 1.00 3.23 H new ATOM 0 HH TYR A 39 13.118 5.526 -0.276 1.00 5.78 H new ATOM 635 N ILE A 40 5.585 5.090 -0.475 1.00 0.42 N ATOM 636 CA ILE A 40 4.786 4.304 0.442 1.00 0.56 C ATOM 637 C ILE A 40 5.657 3.099 0.768 1.00 0.47 C ATOM 638 O ILE A 40 5.918 2.284 -0.117 1.00 0.36 O ATOM 639 CB ILE A 40 3.458 3.925 -0.242 1.00 0.71 C ATOM 640 CG1 ILE A 40 2.574 5.177 -0.382 1.00 0.58 C ATOM 641 CG2 ILE A 40 2.670 2.828 0.497 1.00 1.47 C ATOM 642 CD1 ILE A 40 1.356 4.917 -1.255 1.00 0.55 C ATOM 0 H ILE A 40 6.098 4.517 -1.145 1.00 0.42 H new ATOM 0 HA ILE A 40 4.508 4.828 1.356 1.00 0.56 H new ATOM 0 HB ILE A 40 3.721 3.518 -1.218 1.00 0.71 H new ATOM 0 HG12 ILE A 40 2.249 5.504 0.606 1.00 0.58 H new ATOM 0 HG13 ILE A 40 3.161 5.990 -0.810 1.00 0.58 H new ATOM 0 HG21 ILE A 40 1.748 2.615 -0.044 1.00 1.47 H new ATOM 0 HG22 ILE A 40 3.274 1.922 0.555 1.00 1.47 H new ATOM 0 HG23 ILE A 40 2.429 3.169 1.504 1.00 1.47 H new ATOM 0 HD11 ILE A 40 0.759 5.826 -1.327 1.00 0.55 H new ATOM 0 HD12 ILE A 40 1.680 4.615 -2.251 1.00 0.55 H new ATOM 0 HD13 ILE A 40 0.754 4.123 -0.813 1.00 0.55 H new ATOM 654 N SER A 41 6.185 3.015 1.984 1.00 0.63 N ATOM 655 CA SER A 41 7.158 2.001 2.318 1.00 0.46 C ATOM 656 C SER A 41 6.397 0.709 2.565 1.00 0.41 C ATOM 657 O SER A 41 5.373 0.703 3.250 1.00 0.47 O ATOM 658 CB SER A 41 7.962 2.435 3.549 1.00 0.51 C ATOM 659 OG SER A 41 9.321 2.082 3.390 1.00 1.10 O ATOM 0 H SER A 41 5.949 3.643 2.752 1.00 0.63 H new ATOM 0 HA SER A 41 7.874 1.852 1.509 1.00 0.46 H new ATOM 0 HB2 SER A 41 7.872 3.512 3.691 1.00 0.51 H new ATOM 0 HB3 SER A 41 7.557 1.961 4.443 1.00 0.51 H new ATOM 0 HG SER A 41 9.495 1.235 3.851 1.00 1.10 H new ATOM 665 N ILE A 42 6.909 -0.410 2.056 1.00 0.36 N ATOM 666 CA ILE A 42 6.258 -1.692 2.294 1.00 0.40 C ATOM 667 C ILE A 42 6.180 -2.029 3.781 1.00 0.51 C ATOM 668 O ILE A 42 5.382 -2.869 4.175 1.00 0.59 O ATOM 669 CB ILE A 42 6.885 -2.808 1.446 1.00 0.41 C ATOM 670 CG1 ILE A 42 8.320 -3.164 1.868 1.00 1.30 C ATOM 671 CG2 ILE A 42 6.844 -2.365 -0.020 1.00 1.61 C ATOM 672 CD1 ILE A 42 8.342 -4.474 2.658 1.00 1.88 C ATOM 0 H ILE A 42 7.755 -0.454 1.488 1.00 0.36 H new ATOM 0 HA ILE A 42 5.224 -1.605 1.962 1.00 0.40 H new ATOM 0 HB ILE A 42 6.306 -3.719 1.597 1.00 0.41 H new ATOM 0 HG12 ILE A 42 8.952 -3.256 0.985 1.00 1.30 H new ATOM 0 HG13 ILE A 42 8.736 -2.360 2.475 1.00 1.30 H new ATOM 0 HG21 ILE A 42 7.284 -3.141 -0.647 1.00 1.61 H new ATOM 0 HG22 ILE A 42 5.810 -2.199 -0.321 1.00 1.61 H new ATOM 0 HG23 ILE A 42 7.409 -1.440 -0.137 1.00 1.61 H new ATOM 0 HD11 ILE A 42 9.367 -4.708 2.947 1.00 1.88 H new ATOM 0 HD12 ILE A 42 7.728 -4.370 3.552 1.00 1.88 H new ATOM 0 HD13 ILE A 42 7.947 -5.279 2.038 1.00 1.88 H new ATOM 684 N ASP A 43 6.962 -1.337 4.607 1.00 0.55 N ATOM 685 CA ASP A 43 6.952 -1.416 6.058 1.00 0.54 C ATOM 686 C ASP A 43 5.600 -0.990 6.615 1.00 0.54 C ATOM 687 O ASP A 43 5.050 -1.684 7.459 1.00 0.55 O ATOM 688 CB ASP A 43 8.068 -0.533 6.635 1.00 0.57 C ATOM 689 CG ASP A 43 9.418 -0.813 5.977 1.00 1.05 C ATOM 690 OD1 ASP A 43 9.579 -0.341 4.825 1.00 2.25 O ATOM 691 OD2 ASP A 43 10.254 -1.492 6.608 1.00 1.82 O ATOM 0 H ASP A 43 7.654 -0.673 4.260 1.00 0.55 H new ATOM 0 HA ASP A 43 7.127 -2.451 6.351 1.00 0.54 H new ATOM 0 HB2 ASP A 43 7.808 0.516 6.496 1.00 0.57 H new ATOM 0 HB3 ASP A 43 8.146 -0.703 7.709 1.00 0.57 H new ATOM 696 N VAL A 44 5.035 0.129 6.156 1.00 0.54 N ATOM 697 CA VAL A 44 3.751 0.623 6.620 1.00 0.56 C ATOM 698 C VAL A 44 2.694 -0.413 6.277 1.00 0.58 C ATOM 699 O VAL A 44 1.871 -0.771 7.113 1.00 0.58 O ATOM 700 CB VAL A 44 3.484 1.992 5.967 1.00 0.65 C ATOM 701 CG1 VAL A 44 2.017 2.203 5.604 1.00 0.78 C ATOM 702 CG2 VAL A 44 3.956 3.111 6.893 1.00 0.63 C ATOM 0 H VAL A 44 5.466 0.719 5.444 1.00 0.54 H new ATOM 0 HA VAL A 44 3.734 0.771 7.700 1.00 0.56 H new ATOM 0 HB VAL A 44 4.048 2.013 5.034 1.00 0.65 H new ATOM 0 HG11 VAL A 44 1.893 3.185 5.148 1.00 0.78 H new ATOM 0 HG12 VAL A 44 1.702 1.433 4.899 1.00 0.78 H new ATOM 0 HG13 VAL A 44 1.407 2.142 6.505 1.00 0.78 H new ATOM 0 HG21 VAL A 44 3.764 4.076 6.425 1.00 0.63 H new ATOM 0 HG22 VAL A 44 3.417 3.053 7.838 1.00 0.63 H new ATOM 0 HG23 VAL A 44 5.025 3.004 7.078 1.00 0.63 H new ATOM 712 N ILE A 45 2.736 -0.917 5.049 1.00 0.60 N ATOM 713 CA ILE A 45 1.769 -1.880 4.560 1.00 0.67 C ATOM 714 C ILE A 45 1.916 -3.175 5.361 1.00 0.64 C ATOM 715 O ILE A 45 0.934 -3.842 5.667 1.00 0.72 O ATOM 716 CB ILE A 45 1.977 -2.088 3.055 1.00 0.76 C ATOM 717 CG1 ILE A 45 2.004 -0.743 2.285 1.00 0.84 C ATOM 718 CG2 ILE A 45 0.865 -2.961 2.451 1.00 0.96 C ATOM 719 CD1 ILE A 45 2.709 -0.864 0.933 1.00 0.88 C ATOM 0 H ILE A 45 3.448 -0.664 4.364 1.00 0.60 H new ATOM 0 HA ILE A 45 0.749 -1.519 4.697 1.00 0.67 H new ATOM 0 HB ILE A 45 2.941 -2.587 2.950 1.00 0.76 H new ATOM 0 HG12 ILE A 45 0.983 -0.395 2.130 1.00 0.84 H new ATOM 0 HG13 ILE A 45 2.509 0.010 2.890 1.00 0.84 H new ATOM 0 HG21 ILE A 45 1.042 -3.089 1.383 1.00 0.96 H new ATOM 0 HG22 ILE A 45 0.863 -3.936 2.938 1.00 0.96 H new ATOM 0 HG23 ILE A 45 -0.100 -2.478 2.603 1.00 0.96 H new ATOM 0 HD11 ILE A 45 2.702 0.104 0.431 1.00 0.88 H new ATOM 0 HD12 ILE A 45 3.739 -1.186 1.087 1.00 0.88 H new ATOM 0 HD13 ILE A 45 2.189 -1.596 0.316 1.00 0.88 H new ATOM 731 N ALA A 46 3.138 -3.537 5.747 1.00 0.60 N ATOM 732 CA ALA A 46 3.368 -4.690 6.593 1.00 0.65 C ATOM 733 C ALA A 46 2.918 -4.419 8.028 1.00 0.65 C ATOM 734 O ALA A 46 2.588 -5.349 8.760 1.00 0.81 O ATOM 735 CB ALA A 46 4.844 -5.085 6.540 1.00 0.60 C ATOM 0 H ALA A 46 3.987 -3.038 5.480 1.00 0.60 H new ATOM 0 HA ALA A 46 2.772 -5.523 6.220 1.00 0.65 H new ATOM 0 HB1 ALA A 46 5.012 -5.953 7.178 1.00 0.60 H new ATOM 0 HB2 ALA A 46 5.118 -5.331 5.514 1.00 0.60 H new ATOM 0 HB3 ALA A 46 5.456 -4.254 6.890 1.00 0.60 H new ATOM 741 N SER A 47 2.884 -3.150 8.431 1.00 0.58 N ATOM 742 CA SER A 47 2.465 -2.721 9.755 1.00 0.59 C ATOM 743 C SER A 47 1.007 -2.252 9.766 1.00 0.58 C ATOM 744 O SER A 47 0.513 -1.835 10.809 1.00 0.71 O ATOM 745 CB SER A 47 3.409 -1.619 10.244 1.00 0.64 C ATOM 746 OG SER A 47 4.560 -2.195 10.828 1.00 1.28 O ATOM 0 H SER A 47 3.155 -2.375 7.826 1.00 0.58 H new ATOM 0 HA SER A 47 2.520 -3.571 10.435 1.00 0.59 H new ATOM 0 HB2 SER A 47 3.696 -0.978 9.411 1.00 0.64 H new ATOM 0 HB3 SER A 47 2.899 -0.988 10.971 1.00 0.64 H new ATOM 0 HG SER A 47 5.160 -1.485 11.137 1.00 1.28 H new ATOM 752 N PHE A 48 0.268 -2.392 8.662 1.00 0.52 N ATOM 753 CA PHE A 48 -1.120 -1.937 8.568 1.00 0.55 C ATOM 754 C PHE A 48 -2.095 -2.757 9.414 1.00 0.63 C ATOM 755 O PHE A 48 -3.303 -2.514 9.345 1.00 0.94 O ATOM 756 CB PHE A 48 -1.580 -2.004 7.102 1.00 0.51 C ATOM 757 CG PHE A 48 -1.760 -0.715 6.345 1.00 0.48 C ATOM 758 CD1 PHE A 48 -2.102 0.492 6.984 1.00 1.48 C ATOM 759 CD2 PHE A 48 -1.652 -0.767 4.945 1.00 1.90 C ATOM 760 CE1 PHE A 48 -2.303 1.647 6.217 1.00 1.44 C ATOM 761 CE2 PHE A 48 -1.844 0.387 4.177 1.00 2.07 C ATOM 762 CZ PHE A 48 -2.177 1.584 4.820 1.00 0.89 C ATOM 0 H PHE A 48 0.617 -2.825 7.807 1.00 0.52 H new ATOM 0 HA PHE A 48 -1.133 -0.917 8.953 1.00 0.55 H new ATOM 0 HB2 PHE A 48 -0.858 -2.611 6.556 1.00 0.51 H new ATOM 0 HB3 PHE A 48 -2.530 -2.538 7.077 1.00 0.51 H new ATOM 0 HD1 PHE A 48 -2.209 0.527 8.058 1.00 1.48 H new ATOM 0 HD2 PHE A 48 -1.419 -1.703 4.459 1.00 1.90 H new ATOM 0 HE1 PHE A 48 -2.554 2.581 6.698 1.00 1.44 H new ATOM 0 HE2 PHE A 48 -1.737 0.354 3.103 1.00 2.07 H new ATOM 0 HZ PHE A 48 -2.340 2.475 4.232 1.00 0.89 H new ATOM 772 N ASN A 49 -1.600 -3.742 10.171 1.00 0.57 N ATOM 773 CA ASN A 49 -2.352 -4.651 11.018 1.00 0.58 C ATOM 774 C ASN A 49 -3.191 -5.599 10.172 1.00 0.62 C ATOM 775 O ASN A 49 -2.835 -6.765 10.013 1.00 0.68 O ATOM 776 CB ASN A 49 -3.162 -3.877 12.081 1.00 0.63 C ATOM 777 CG ASN A 49 -2.971 -4.447 13.484 1.00 0.93 C ATOM 778 OD1 ASN A 49 -2.035 -5.190 13.750 1.00 1.35 O ATOM 779 ND2 ASN A 49 -3.844 -4.099 14.418 1.00 1.66 N ATOM 0 H ASN A 49 -0.598 -3.931 10.205 1.00 0.57 H new ATOM 0 HA ASN A 49 -1.659 -5.278 11.578 1.00 0.58 H new ATOM 0 HB2 ASN A 49 -2.860 -2.830 12.073 1.00 0.63 H new ATOM 0 HB3 ASN A 49 -4.220 -3.906 11.820 1.00 0.63 H new ATOM 0 HD21 ASN A 49 -3.740 -4.451 15.370 1.00 1.66 H new ATOM 0 HD22 ASN A 49 -4.620 -3.479 14.185 1.00 1.66 H new ATOM 786 N ARG A 50 -4.280 -5.109 9.576 1.00 0.66 N ATOM 787 CA ARG A 50 -5.113 -5.911 8.693 1.00 0.69 C ATOM 788 C ARG A 50 -4.277 -6.505 7.561 1.00 0.60 C ATOM 789 O ARG A 50 -4.430 -7.671 7.258 1.00 0.68 O ATOM 790 CB ARG A 50 -6.336 -5.111 8.216 1.00 0.92 C ATOM 791 CG ARG A 50 -5.982 -4.002 7.223 1.00 1.73 C ATOM 792 CD ARG A 50 -7.211 -3.220 6.761 1.00 1.40 C ATOM 793 NE ARG A 50 -7.718 -2.301 7.788 1.00 2.86 N ATOM 794 CZ ARG A 50 -8.809 -2.467 8.544 1.00 2.92 C ATOM 795 NH1 ARG A 50 -9.507 -3.603 8.490 1.00 2.48 N ATOM 796 NH2 ARG A 50 -9.193 -1.492 9.368 1.00 4.50 N ATOM 0 H ARG A 50 -4.604 -4.149 9.694 1.00 0.66 H new ATOM 0 HA ARG A 50 -5.516 -6.760 9.246 1.00 0.69 H new ATOM 0 HB2 ARG A 50 -7.049 -5.792 7.751 1.00 0.92 H new ATOM 0 HB3 ARG A 50 -6.833 -4.671 9.080 1.00 0.92 H new ATOM 0 HG2 ARG A 50 -5.272 -3.317 7.686 1.00 1.73 H new ATOM 0 HG3 ARG A 50 -5.486 -4.439 6.356 1.00 1.73 H new ATOM 0 HD2 ARG A 50 -6.960 -2.653 5.864 1.00 1.40 H new ATOM 0 HD3 ARG A 50 -7.999 -3.920 6.485 1.00 1.40 H new ATOM 0 HE ARG A 50 -7.182 -1.447 7.941 1.00 2.86 H new ATOM 0 HH11 ARG A 50 -9.210 -4.355 7.868 1.00 2.48 H new ATOM 0 HH12 ARG A 50 -10.337 -3.719 9.071 1.00 2.48 H new ATOM 0 HH21 ARG A 50 -8.656 -0.626 9.419 1.00 4.50 H new ATOM 0 HH22 ARG A 50 -10.024 -1.612 9.947 1.00 4.50 H new ATOM 810 N MET A 51 -3.349 -5.768 6.953 1.00 0.53 N ATOM 811 CA MET A 51 -2.495 -6.346 5.916 1.00 0.52 C ATOM 812 C MET A 51 -1.600 -7.417 6.511 1.00 0.47 C ATOM 813 O MET A 51 -1.462 -8.478 5.919 1.00 0.50 O ATOM 814 CB MET A 51 -1.617 -5.298 5.234 1.00 0.54 C ATOM 815 CG MET A 51 -2.270 -4.719 3.986 1.00 0.89 C ATOM 816 SD MET A 51 -3.928 -4.078 4.260 1.00 1.78 S ATOM 817 CE MET A 51 -4.172 -3.284 2.669 1.00 1.55 C ATOM 0 H MET A 51 -3.170 -4.784 7.156 1.00 0.53 H new ATOM 0 HA MET A 51 -3.160 -6.776 5.166 1.00 0.52 H new ATOM 0 HB2 MET A 51 -1.404 -4.492 5.937 1.00 0.54 H new ATOM 0 HB3 MET A 51 -0.661 -5.747 4.966 1.00 0.54 H new ATOM 0 HG2 MET A 51 -1.641 -3.918 3.598 1.00 0.89 H new ATOM 0 HG3 MET A 51 -2.312 -5.492 3.218 1.00 0.89 H new ATOM 0 HE1 MET A 51 -5.136 -2.776 2.660 1.00 1.55 H new ATOM 0 HE2 MET A 51 -3.377 -2.558 2.499 1.00 1.55 H new ATOM 0 HE3 MET A 51 -4.151 -4.036 1.880 1.00 1.55 H new ATOM 827 N LYS A 52 -0.977 -7.176 7.668 1.00 0.44 N ATOM 828 CA LYS A 52 -0.096 -8.179 8.240 1.00 0.43 C ATOM 829 C LYS A 52 -0.835 -9.498 8.432 1.00 0.45 C ATOM 830 O LYS A 52 -0.259 -10.567 8.265 1.00 0.51 O ATOM 831 CB LYS A 52 0.484 -7.692 9.570 1.00 0.51 C ATOM 832 CG LYS A 52 1.800 -8.442 9.790 1.00 0.60 C ATOM 833 CD LYS A 52 2.402 -8.116 11.153 1.00 1.64 C ATOM 834 CE LYS A 52 3.783 -8.773 11.290 1.00 1.78 C ATOM 835 NZ LYS A 52 3.724 -10.251 11.206 1.00 2.12 N ATOM 0 H LYS A 52 -1.067 -6.316 8.210 1.00 0.44 H new ATOM 0 HA LYS A 52 0.727 -8.345 7.545 1.00 0.43 H new ATOM 0 HB2 LYS A 52 0.654 -6.616 9.545 1.00 0.51 H new ATOM 0 HB3 LYS A 52 -0.211 -7.886 10.387 1.00 0.51 H new ATOM 0 HG2 LYS A 52 1.626 -9.515 9.714 1.00 0.60 H new ATOM 0 HG3 LYS A 52 2.508 -8.177 9.005 1.00 0.60 H new ATOM 0 HD2 LYS A 52 2.491 -7.036 11.271 1.00 1.64 H new ATOM 0 HD3 LYS A 52 1.742 -8.470 11.945 1.00 1.64 H new ATOM 0 HE2 LYS A 52 4.440 -8.395 10.507 1.00 1.78 H new ATOM 0 HE3 LYS A 52 4.225 -8.485 12.244 1.00 1.78 H new ATOM 0 HZ1 LYS A 52 4.651 -10.650 11.455 1.00 2.12 H new ATOM 0 HZ2 LYS A 52 3.005 -10.608 11.867 1.00 2.12 H new ATOM 0 HZ3 LYS A 52 3.474 -10.534 10.237 1.00 2.12 H new ATOM 849 N THR A 53 -2.107 -9.423 8.803 1.00 0.45 N ATOM 850 CA THR A 53 -2.893 -10.594 9.137 1.00 0.53 C ATOM 851 C THR A 53 -3.444 -11.253 7.878 1.00 0.55 C ATOM 852 O THR A 53 -3.405 -12.473 7.768 1.00 0.61 O ATOM 853 CB THR A 53 -3.971 -10.192 10.150 1.00 0.66 C ATOM 854 OG1 THR A 53 -4.662 -9.031 9.757 1.00 0.71 O ATOM 855 CG2 THR A 53 -3.262 -9.882 11.465 1.00 0.72 C ATOM 0 H THR A 53 -2.620 -8.544 8.880 1.00 0.45 H new ATOM 0 HA THR A 53 -2.270 -11.354 9.609 1.00 0.53 H new ATOM 0 HB THR A 53 -4.691 -11.006 10.233 1.00 0.66 H new ATOM 0 HG1 THR A 53 -4.514 -8.870 8.802 1.00 0.71 H new ATOM 0 HG21 THR A 53 -3.997 -9.591 12.215 1.00 0.72 H new ATOM 0 HG22 THR A 53 -2.726 -10.767 11.807 1.00 0.72 H new ATOM 0 HG23 THR A 53 -2.555 -9.066 11.314 1.00 0.72 H new ATOM 863 N ILE A 54 -3.905 -10.463 6.909 1.00 0.54 N ATOM 864 CA ILE A 54 -4.514 -10.947 5.674 1.00 0.52 C ATOM 865 C ILE A 54 -3.450 -11.576 4.781 1.00 0.47 C ATOM 866 O ILE A 54 -3.706 -12.563 4.097 1.00 0.52 O ATOM 867 CB ILE A 54 -5.251 -9.777 4.985 1.00 0.56 C ATOM 868 CG1 ILE A 54 -6.463 -9.378 5.851 1.00 0.67 C ATOM 869 CG2 ILE A 54 -5.727 -10.124 3.566 1.00 0.60 C ATOM 870 CD1 ILE A 54 -7.001 -7.986 5.512 1.00 1.86 C ATOM 0 H ILE A 54 -3.864 -9.445 6.964 1.00 0.54 H new ATOM 0 HA ILE A 54 -5.247 -11.725 5.887 1.00 0.52 H new ATOM 0 HB ILE A 54 -4.546 -8.951 4.889 1.00 0.56 H new ATOM 0 HG12 ILE A 54 -7.257 -10.112 5.717 1.00 0.67 H new ATOM 0 HG13 ILE A 54 -6.177 -9.406 6.903 1.00 0.67 H new ATOM 0 HG21 ILE A 54 -6.237 -9.264 3.133 1.00 0.60 H new ATOM 0 HG22 ILE A 54 -4.868 -10.385 2.948 1.00 0.60 H new ATOM 0 HG23 ILE A 54 -6.414 -10.969 3.609 1.00 0.60 H new ATOM 0 HD11 ILE A 54 -7.853 -7.759 6.153 1.00 1.86 H new ATOM 0 HD12 ILE A 54 -6.219 -7.244 5.673 1.00 1.86 H new ATOM 0 HD13 ILE A 54 -7.315 -7.962 4.469 1.00 1.86 H new ATOM 882 N SER A 55 -2.253 -10.996 4.774 1.00 0.40 N ATOM 883 CA SER A 55 -1.147 -11.515 3.984 1.00 0.39 C ATOM 884 C SER A 55 -0.423 -12.595 4.751 1.00 0.43 C ATOM 885 O SER A 55 0.060 -13.549 4.146 1.00 0.51 O ATOM 886 CB SER A 55 -0.171 -10.398 3.599 1.00 0.39 C ATOM 887 OG SER A 55 -0.162 -10.243 2.201 1.00 1.93 O ATOM 0 H SER A 55 -2.026 -10.160 5.312 1.00 0.40 H new ATOM 0 HA SER A 55 -1.556 -11.939 3.067 1.00 0.39 H new ATOM 0 HB2 SER A 55 -0.465 -9.463 4.077 1.00 0.39 H new ATOM 0 HB3 SER A 55 0.831 -10.637 3.955 1.00 0.39 H new ATOM 0 HG SER A 55 -0.970 -10.648 1.822 1.00 1.93 H new ATOM 893 N THR A 56 -0.277 -12.399 6.062 1.00 0.43 N ATOM 894 CA THR A 56 0.487 -13.275 6.933 1.00 0.49 C ATOM 895 C THR A 56 1.992 -13.291 6.596 1.00 0.50 C ATOM 896 O THR A 56 2.774 -13.869 7.345 1.00 0.66 O ATOM 897 CB THR A 56 -0.186 -14.659 6.916 1.00 0.58 C ATOM 898 OG1 THR A 56 -1.561 -14.562 7.235 1.00 0.65 O ATOM 899 CG2 THR A 56 0.425 -15.647 7.910 1.00 0.75 C ATOM 0 H THR A 56 -0.697 -11.609 6.552 1.00 0.43 H new ATOM 0 HA THR A 56 0.472 -12.897 7.955 1.00 0.49 H new ATOM 0 HB THR A 56 -0.032 -15.027 5.902 1.00 0.58 H new ATOM 0 HG1 THR A 56 -1.775 -13.638 7.483 1.00 0.65 H new ATOM 0 HG21 THR A 56 -0.098 -16.601 7.843 1.00 0.75 H new ATOM 0 HG22 THR A 56 1.479 -15.794 7.675 1.00 0.75 H new ATOM 0 HG23 THR A 56 0.330 -15.251 8.921 1.00 0.75 H new ATOM 907 N ASP A 57 2.437 -12.629 5.520 1.00 0.48 N ATOM 908 CA ASP A 57 3.783 -12.734 4.997 1.00 0.50 C ATOM 909 C ASP A 57 4.087 -11.454 4.214 1.00 0.47 C ATOM 910 O ASP A 57 3.259 -10.988 3.426 1.00 0.46 O ATOM 911 CB ASP A 57 3.849 -13.962 4.082 1.00 0.62 C ATOM 912 CG ASP A 57 5.266 -14.237 3.595 1.00 0.73 C ATOM 913 OD1 ASP A 57 6.153 -13.411 3.910 1.00 1.63 O ATOM 914 OD2 ASP A 57 5.429 -15.242 2.875 1.00 1.74 O ATOM 0 H ASP A 57 1.847 -11.993 4.984 1.00 0.48 H new ATOM 0 HA ASP A 57 4.517 -12.849 5.794 1.00 0.50 H new ATOM 0 HB2 ASP A 57 3.475 -14.834 4.618 1.00 0.62 H new ATOM 0 HB3 ASP A 57 3.194 -13.810 3.224 1.00 0.62 H new ATOM 919 N LEU A 58 5.273 -10.883 4.420 1.00 0.49 N ATOM 920 CA LEU A 58 5.745 -9.717 3.678 1.00 0.52 C ATOM 921 C LEU A 58 5.898 -10.021 2.193 1.00 0.55 C ATOM 922 O LEU A 58 5.823 -9.113 1.380 1.00 0.58 O ATOM 923 CB LEU A 58 7.062 -9.174 4.253 1.00 0.63 C ATOM 924 CG LEU A 58 6.842 -8.346 5.531 1.00 0.79 C ATOM 925 CD1 LEU A 58 7.327 -9.094 6.774 1.00 1.07 C ATOM 926 CD2 LEU A 58 7.589 -7.014 5.426 1.00 1.16 C ATOM 0 H LEU A 58 5.939 -11.221 5.114 1.00 0.49 H new ATOM 0 HA LEU A 58 4.984 -8.944 3.789 1.00 0.52 H new ATOM 0 HB2 LEU A 58 7.731 -10.006 4.472 1.00 0.63 H new ATOM 0 HB3 LEU A 58 7.556 -8.557 3.503 1.00 0.63 H new ATOM 0 HG LEU A 58 5.771 -8.169 5.629 1.00 0.79 H new ATOM 0 HD11 LEU A 58 7.156 -8.480 7.658 1.00 1.07 H new ATOM 0 HD12 LEU A 58 6.779 -10.031 6.872 1.00 1.07 H new ATOM 0 HD13 LEU A 58 8.392 -9.305 6.679 1.00 1.07 H new ATOM 0 HD21 LEU A 58 7.428 -6.434 6.335 1.00 1.16 H new ATOM 0 HD22 LEU A 58 8.655 -7.204 5.301 1.00 1.16 H new ATOM 0 HD23 LEU A 58 7.217 -6.455 4.568 1.00 1.16 H new ATOM 938 N GLN A 59 6.075 -11.282 1.825 1.00 0.58 N ATOM 939 CA GLN A 59 6.210 -11.765 0.466 1.00 0.60 C ATOM 940 C GLN A 59 4.938 -11.418 -0.294 1.00 0.57 C ATOM 941 O GLN A 59 4.994 -10.809 -1.355 1.00 0.61 O ATOM 942 CB GLN A 59 6.415 -13.284 0.514 1.00 0.63 C ATOM 943 CG GLN A 59 6.796 -13.904 -0.838 1.00 0.71 C ATOM 944 CD GLN A 59 8.264 -13.688 -1.202 1.00 1.90 C ATOM 945 OE1 GLN A 59 9.143 -13.670 -0.350 1.00 2.98 O ATOM 946 NE2 GLN A 59 8.571 -13.540 -2.483 1.00 2.60 N ATOM 0 H GLN A 59 6.131 -12.036 2.510 1.00 0.58 H new ATOM 0 HA GLN A 59 7.061 -11.306 -0.037 1.00 0.60 H new ATOM 0 HB2 GLN A 59 7.195 -13.513 1.240 1.00 0.63 H new ATOM 0 HB3 GLN A 59 5.499 -13.753 0.872 1.00 0.63 H new ATOM 0 HG2 GLN A 59 6.587 -14.974 -0.813 1.00 0.71 H new ATOM 0 HG3 GLN A 59 6.167 -13.475 -1.618 1.00 0.71 H new ATOM 0 HE21 GLN A 59 7.835 -13.556 -3.189 1.00 2.60 H new ATOM 0 HE22 GLN A 59 9.543 -13.410 -2.763 1.00 2.60 H new ATOM 955 N LEU A 60 3.784 -11.805 0.255 1.00 0.53 N ATOM 956 CA LEU A 60 2.493 -11.557 -0.366 1.00 0.48 C ATOM 957 C LEU A 60 2.177 -10.062 -0.349 1.00 0.43 C ATOM 958 O LEU A 60 1.515 -9.579 -1.257 1.00 0.41 O ATOM 959 CB LEU A 60 1.402 -12.386 0.335 1.00 0.48 C ATOM 960 CG LEU A 60 0.789 -13.513 -0.505 1.00 0.63 C ATOM 961 CD1 LEU A 60 -0.217 -12.948 -1.510 1.00 2.05 C ATOM 962 CD2 LEU A 60 1.829 -14.377 -1.222 1.00 1.86 C ATOM 0 H LEU A 60 3.725 -12.300 1.145 1.00 0.53 H new ATOM 0 HA LEU A 60 2.525 -11.871 -1.409 1.00 0.48 H new ATOM 0 HB2 LEU A 60 1.826 -12.820 1.241 1.00 0.48 H new ATOM 0 HB3 LEU A 60 0.603 -11.713 0.647 1.00 0.48 H new ATOM 0 HG LEU A 60 0.276 -14.170 0.198 1.00 0.63 H new ATOM 0 HD11 LEU A 60 -0.641 -13.762 -2.097 1.00 2.05 H new ATOM 0 HD12 LEU A 60 -1.015 -12.432 -0.975 1.00 2.05 H new ATOM 0 HD13 LEU A 60 0.287 -12.246 -2.174 1.00 2.05 H new ATOM 0 HD21 LEU A 60 1.323 -15.153 -1.796 1.00 1.86 H new ATOM 0 HD22 LEU A 60 2.419 -13.754 -1.894 1.00 1.86 H new ATOM 0 HD23 LEU A 60 2.487 -14.840 -0.486 1.00 1.86 H new ATOM 974 N ILE A 61 2.653 -9.311 0.648 1.00 0.44 N ATOM 975 CA ILE A 61 2.538 -7.851 0.637 1.00 0.46 C ATOM 976 C ILE A 61 3.297 -7.281 -0.564 1.00 0.44 C ATOM 977 O ILE A 61 2.775 -6.454 -1.311 1.00 0.41 O ATOM 978 CB ILE A 61 3.022 -7.239 1.960 1.00 0.59 C ATOM 979 CG1 ILE A 61 2.054 -7.692 3.060 1.00 1.16 C ATOM 980 CG2 ILE A 61 3.024 -5.703 1.863 1.00 1.62 C ATOM 981 CD1 ILE A 61 2.631 -7.495 4.450 1.00 3.55 C ATOM 0 H ILE A 61 3.121 -9.690 1.472 1.00 0.44 H new ATOM 0 HA ILE A 61 1.486 -7.584 0.537 1.00 0.46 H new ATOM 0 HB ILE A 61 4.038 -7.566 2.183 1.00 0.59 H new ATOM 0 HG12 ILE A 61 1.122 -7.134 2.973 1.00 1.16 H new ATOM 0 HG13 ILE A 61 1.810 -8.745 2.916 1.00 1.16 H new ATOM 0 HG21 ILE A 61 3.369 -5.279 2.806 1.00 1.62 H new ATOM 0 HG22 ILE A 61 3.691 -5.390 1.059 1.00 1.62 H new ATOM 0 HG23 ILE A 61 2.014 -5.350 1.654 1.00 1.62 H new ATOM 0 HD11 ILE A 61 1.909 -7.830 5.195 1.00 3.55 H new ATOM 0 HD12 ILE A 61 3.549 -8.074 4.548 1.00 3.55 H new ATOM 0 HD13 ILE A 61 2.850 -6.439 4.607 1.00 3.55 H new ATOM 993 N THR A 62 4.545 -7.705 -0.748 1.00 0.51 N ATOM 994 CA THR A 62 5.405 -7.149 -1.785 1.00 0.54 C ATOM 995 C THR A 62 4.834 -7.508 -3.147 1.00 0.52 C ATOM 996 O THR A 62 4.774 -6.675 -4.050 1.00 0.53 O ATOM 997 CB THR A 62 6.842 -7.660 -1.601 1.00 0.57 C ATOM 998 OG1 THR A 62 7.335 -7.230 -0.351 1.00 1.14 O ATOM 999 CG2 THR A 62 7.798 -7.144 -2.679 1.00 1.30 C ATOM 0 H THR A 62 4.984 -8.436 -0.188 1.00 0.51 H new ATOM 0 HA THR A 62 5.440 -6.062 -1.711 1.00 0.54 H new ATOM 0 HB THR A 62 6.799 -8.747 -1.670 1.00 0.57 H new ATOM 0 HG1 THR A 62 6.926 -7.762 0.363 1.00 1.14 H new ATOM 0 HG21 THR A 62 8.798 -7.538 -2.497 1.00 1.30 H new ATOM 0 HG22 THR A 62 7.452 -7.471 -3.659 1.00 1.30 H new ATOM 0 HG23 THR A 62 7.826 -6.055 -2.649 1.00 1.30 H new ATOM 1007 N GLU A 63 4.387 -8.750 -3.296 1.00 0.50 N ATOM 1008 CA GLU A 63 3.824 -9.219 -4.544 1.00 0.46 C ATOM 1009 C GLU A 63 2.512 -8.507 -4.822 1.00 0.36 C ATOM 1010 O GLU A 63 2.233 -8.174 -5.970 1.00 0.34 O ATOM 1011 CB GLU A 63 3.642 -10.737 -4.487 1.00 0.55 C ATOM 1012 CG GLU A 63 3.141 -11.250 -5.839 1.00 0.56 C ATOM 1013 CD GLU A 63 2.952 -12.764 -5.838 1.00 0.96 C ATOM 1014 OE1 GLU A 63 2.222 -13.245 -4.941 1.00 1.82 O ATOM 1015 OE2 GLU A 63 3.511 -13.410 -6.752 1.00 1.90 O ATOM 0 H GLU A 63 4.407 -9.452 -2.556 1.00 0.50 H new ATOM 0 HA GLU A 63 4.504 -8.991 -5.365 1.00 0.46 H new ATOM 0 HB2 GLU A 63 4.587 -11.217 -4.233 1.00 0.55 H new ATOM 0 HB3 GLU A 63 2.932 -10.998 -3.703 1.00 0.55 H new ATOM 0 HG2 GLU A 63 2.195 -10.766 -6.083 1.00 0.56 H new ATOM 0 HG3 GLU A 63 3.851 -10.973 -6.618 1.00 0.56 H new ATOM 1022 N ALA A 64 1.722 -8.235 -3.784 1.00 0.36 N ATOM 1023 CA ALA A 64 0.456 -7.545 -3.969 1.00 0.33 C ATOM 1024 C ALA A 64 0.714 -6.189 -4.618 1.00 0.33 C ATOM 1025 O ALA A 64 0.055 -5.815 -5.586 1.00 0.35 O ATOM 1026 CB ALA A 64 -0.260 -7.384 -2.632 1.00 0.33 C ATOM 0 H ALA A 64 1.937 -8.481 -2.818 1.00 0.36 H new ATOM 0 HA ALA A 64 -0.189 -8.132 -4.623 1.00 0.33 H new ATOM 0 HB1 ALA A 64 -1.206 -6.866 -2.786 1.00 0.33 H new ATOM 0 HB2 ALA A 64 -0.451 -8.367 -2.201 1.00 0.33 H new ATOM 0 HB3 ALA A 64 0.365 -6.804 -1.952 1.00 0.33 H new ATOM 1032 N LEU A 65 1.708 -5.458 -4.113 1.00 0.37 N ATOM 1033 CA LEU A 65 2.076 -4.179 -4.689 1.00 0.42 C ATOM 1034 C LEU A 65 2.594 -4.385 -6.110 1.00 0.42 C ATOM 1035 O LEU A 65 2.301 -3.583 -6.994 1.00 0.43 O ATOM 1036 CB LEU A 65 3.128 -3.498 -3.818 1.00 0.52 C ATOM 1037 CG LEU A 65 2.569 -3.121 -2.440 1.00 0.37 C ATOM 1038 CD1 LEU A 65 3.739 -2.917 -1.487 1.00 0.44 C ATOM 1039 CD2 LEU A 65 1.696 -1.856 -2.455 1.00 0.43 C ATOM 0 H LEU A 65 2.268 -5.735 -3.307 1.00 0.37 H new ATOM 0 HA LEU A 65 1.199 -3.533 -4.731 1.00 0.42 H new ATOM 0 HB2 LEU A 65 3.983 -4.163 -3.694 1.00 0.52 H new ATOM 0 HB3 LEU A 65 3.491 -2.602 -4.321 1.00 0.52 H new ATOM 0 HG LEU A 65 1.922 -3.936 -2.117 1.00 0.37 H new ATOM 0 HD11 LEU A 65 3.362 -2.648 -0.500 1.00 0.44 H new ATOM 0 HD12 LEU A 65 4.316 -3.839 -1.416 1.00 0.44 H new ATOM 0 HD13 LEU A 65 4.378 -2.118 -1.862 1.00 0.44 H new ATOM 0 HD21 LEU A 65 1.336 -1.651 -1.447 1.00 0.43 H new ATOM 0 HD22 LEU A 65 2.286 -1.011 -2.809 1.00 0.43 H new ATOM 0 HD23 LEU A 65 0.846 -2.008 -3.120 1.00 0.43 H new ATOM 1051 N LYS A 66 3.354 -5.452 -6.356 1.00 0.42 N ATOM 1052 CA LYS A 66 3.856 -5.741 -7.695 1.00 0.48 C ATOM 1053 C LYS A 66 2.719 -5.990 -8.684 1.00 0.48 C ATOM 1054 O LYS A 66 2.858 -5.678 -9.863 1.00 0.57 O ATOM 1055 CB LYS A 66 4.872 -6.888 -7.653 1.00 0.52 C ATOM 1056 CG LYS A 66 5.786 -6.770 -8.876 1.00 0.84 C ATOM 1057 CD LYS A 66 6.777 -7.928 -8.981 1.00 1.17 C ATOM 1058 CE LYS A 66 7.466 -7.808 -10.343 1.00 1.79 C ATOM 1059 NZ LYS A 66 8.433 -8.898 -10.581 1.00 2.57 N ATOM 0 H LYS A 66 3.634 -6.128 -5.646 1.00 0.42 H new ATOM 0 HA LYS A 66 4.382 -4.860 -8.063 1.00 0.48 H new ATOM 0 HB2 LYS A 66 5.459 -6.841 -6.735 1.00 0.52 H new ATOM 0 HB3 LYS A 66 4.359 -7.850 -7.655 1.00 0.52 H new ATOM 0 HG2 LYS A 66 5.176 -6.735 -9.779 1.00 0.84 H new ATOM 0 HG3 LYS A 66 6.335 -5.830 -8.826 1.00 0.84 H new ATOM 0 HD2 LYS A 66 7.508 -7.884 -8.174 1.00 1.17 H new ATOM 0 HD3 LYS A 66 6.262 -8.885 -8.892 1.00 1.17 H new ATOM 0 HE2 LYS A 66 6.712 -7.816 -11.131 1.00 1.79 H new ATOM 0 HE3 LYS A 66 7.981 -6.849 -10.404 1.00 1.79 H new ATOM 0 HZ1 LYS A 66 8.873 -8.774 -11.515 1.00 2.57 H new ATOM 0 HZ2 LYS A 66 9.168 -8.876 -9.846 1.00 2.57 H new ATOM 0 HZ3 LYS A 66 7.939 -9.813 -10.550 1.00 2.57 H new ATOM 1073 N LYS A 67 1.586 -6.517 -8.223 1.00 0.44 N ATOM 1074 CA LYS A 67 0.409 -6.735 -9.058 1.00 0.48 C ATOM 1075 C LYS A 67 -0.621 -5.609 -8.883 1.00 0.49 C ATOM 1076 O LYS A 67 -1.790 -5.834 -9.179 1.00 0.70 O ATOM 1077 CB LYS A 67 -0.175 -8.132 -8.741 1.00 0.56 C ATOM 1078 CG LYS A 67 0.245 -9.184 -9.774 1.00 0.82 C ATOM 1079 CD LYS A 67 -0.387 -10.540 -9.427 1.00 0.98 C ATOM 1080 CE LYS A 67 -0.318 -11.496 -10.624 1.00 1.74 C ATOM 1081 NZ LYS A 67 -0.923 -12.807 -10.307 1.00 1.89 N ATOM 0 H LYS A 67 1.459 -6.806 -7.253 1.00 0.44 H new ATOM 0 HA LYS A 67 0.694 -6.711 -10.110 1.00 0.48 H new ATOM 0 HB2 LYS A 67 0.155 -8.446 -7.751 1.00 0.56 H new ATOM 0 HB3 LYS A 67 -1.263 -8.070 -8.709 1.00 0.56 H new ATOM 0 HG2 LYS A 67 -0.067 -8.872 -10.771 1.00 0.82 H new ATOM 0 HG3 LYS A 67 1.331 -9.274 -9.793 1.00 0.82 H new ATOM 0 HD2 LYS A 67 0.131 -10.980 -8.574 1.00 0.98 H new ATOM 0 HD3 LYS A 67 -1.426 -10.397 -9.130 1.00 0.98 H new ATOM 0 HE2 LYS A 67 -0.834 -11.052 -11.475 1.00 1.74 H new ATOM 0 HE3 LYS A 67 0.722 -11.636 -10.919 1.00 1.74 H new ATOM 0 HZ1 LYS A 67 -0.377 -13.562 -10.769 1.00 1.89 H new ATOM 0 HZ2 LYS A 67 -0.914 -12.953 -9.277 1.00 1.89 H new ATOM 0 HZ3 LYS A 67 -1.904 -12.829 -10.652 1.00 1.89 H new ATOM 1095 N SER A 68 -0.231 -4.414 -8.417 1.00 0.41 N ATOM 1096 CA SER A 68 -1.177 -3.367 -8.051 1.00 0.43 C ATOM 1097 C SER A 68 -2.175 -3.024 -9.157 1.00 0.46 C ATOM 1098 O SER A 68 -1.897 -3.153 -10.345 1.00 0.59 O ATOM 1099 CB SER A 68 -0.443 -2.084 -7.656 1.00 0.49 C ATOM 1100 OG SER A 68 0.015 -2.127 -6.329 1.00 1.81 O ATOM 0 H SER A 68 0.746 -4.153 -8.286 1.00 0.41 H new ATOM 0 HA SER A 68 -1.737 -3.773 -7.208 1.00 0.43 H new ATOM 0 HB2 SER A 68 0.402 -1.929 -8.326 1.00 0.49 H new ATOM 0 HB3 SER A 68 -1.110 -1.231 -7.782 1.00 0.49 H new ATOM 0 HG SER A 68 0.479 -1.291 -6.116 1.00 1.81 H new ATOM 1106 N THR A 69 -3.344 -2.530 -8.735 1.00 0.46 N ATOM 1107 CA THR A 69 -4.479 -2.278 -9.612 1.00 0.46 C ATOM 1108 C THR A 69 -4.634 -0.787 -9.918 1.00 0.55 C ATOM 1109 O THR A 69 -4.758 -0.401 -11.080 1.00 0.92 O ATOM 1110 CB THR A 69 -5.747 -2.924 -9.016 1.00 0.52 C ATOM 1111 OG1 THR A 69 -6.863 -2.619 -9.822 1.00 0.69 O ATOM 1112 CG2 THR A 69 -6.080 -2.514 -7.569 1.00 0.65 C ATOM 0 H THR A 69 -3.525 -2.293 -7.760 1.00 0.46 H new ATOM 0 HA THR A 69 -4.303 -2.748 -10.580 1.00 0.46 H new ATOM 0 HB THR A 69 -5.527 -3.991 -8.994 1.00 0.52 H new ATOM 0 HG1 THR A 69 -7.665 -3.033 -9.440 1.00 0.69 H new ATOM 0 HG21 THR A 69 -6.988 -3.023 -7.246 1.00 0.65 H new ATOM 0 HG22 THR A 69 -5.255 -2.792 -6.913 1.00 0.65 H new ATOM 0 HG23 THR A 69 -6.233 -1.436 -7.522 1.00 0.65 H new ATOM 1120 N ARG A 70 -4.693 0.071 -8.897 1.00 0.53 N ATOM 1121 CA ARG A 70 -4.791 1.521 -9.075 1.00 0.64 C ATOM 1122 C ARG A 70 -3.507 2.220 -8.636 1.00 0.55 C ATOM 1123 O ARG A 70 -3.414 3.440 -8.741 1.00 0.62 O ATOM 1124 CB ARG A 70 -5.998 2.072 -8.298 1.00 0.83 C ATOM 1125 CG ARG A 70 -7.312 2.059 -9.088 1.00 1.27 C ATOM 1126 CD ARG A 70 -7.870 0.666 -9.397 1.00 2.41 C ATOM 1127 NE ARG A 70 -8.836 0.744 -10.502 1.00 3.15 N ATOM 1128 CZ ARG A 70 -8.511 0.798 -11.803 1.00 4.11 C ATOM 1129 NH1 ARG A 70 -7.250 0.622 -12.203 1.00 4.93 N ATOM 1130 NH2 ARG A 70 -9.457 1.045 -12.711 1.00 4.97 N ATOM 0 H ARG A 70 -4.674 -0.222 -7.920 1.00 0.53 H new ATOM 0 HA ARG A 70 -4.934 1.723 -10.137 1.00 0.64 H new ATOM 0 HB2 ARG A 70 -6.128 1.486 -7.388 1.00 0.83 H new ATOM 0 HB3 ARG A 70 -5.782 3.095 -7.991 1.00 0.83 H new ATOM 0 HG2 ARG A 70 -8.061 2.617 -8.527 1.00 1.27 H new ATOM 0 HG3 ARG A 70 -7.158 2.589 -10.028 1.00 1.27 H new ATOM 0 HD2 ARG A 70 -7.057 -0.010 -9.661 1.00 2.41 H new ATOM 0 HD3 ARG A 70 -8.352 0.254 -8.511 1.00 2.41 H new ATOM 0 HE ARG A 70 -9.827 0.758 -10.262 1.00 3.15 H new ATOM 0 HH11 ARG A 70 -6.517 0.443 -11.516 1.00 4.93 H new ATOM 0 HH12 ARG A 70 -7.019 0.666 -13.196 1.00 4.93 H new ATOM 0 HH21 ARG A 70 -10.422 1.192 -12.415 1.00 4.97 H new ATOM 0 HH22 ARG A 70 -9.215 1.087 -13.701 1.00 4.97 H new ATOM 1144 N LEU A 71 -2.528 1.471 -8.128 1.00 0.47 N ATOM 1145 CA LEU A 71 -1.273 2.003 -7.648 1.00 0.38 C ATOM 1146 C LEU A 71 -0.171 1.397 -8.518 1.00 0.38 C ATOM 1147 O LEU A 71 -0.432 0.459 -9.270 1.00 0.48 O ATOM 1148 CB LEU A 71 -1.069 1.653 -6.163 1.00 0.38 C ATOM 1149 CG LEU A 71 -2.315 1.596 -5.261 1.00 0.62 C ATOM 1150 CD1 LEU A 71 -1.862 1.240 -3.845 1.00 1.08 C ATOM 1151 CD2 LEU A 71 -3.097 2.908 -5.161 1.00 1.22 C ATOM 0 H LEU A 71 -2.597 0.457 -8.041 1.00 0.47 H new ATOM 0 HA LEU A 71 -1.256 3.091 -7.718 1.00 0.38 H new ATOM 0 HB2 LEU A 71 -0.574 0.683 -6.112 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.381 2.384 -5.738 1.00 0.38 H new ATOM 0 HG LEU A 71 -2.978 0.859 -5.713 1.00 0.62 H new ATOM 0 HD11 LEU A 71 -2.729 1.194 -3.186 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.362 0.271 -3.856 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -1.171 2.001 -3.482 1.00 1.08 H new ATOM 0 HD21 LEU A 71 -3.956 2.770 -4.505 1.00 1.22 H new ATOM 0 HD22 LEU A 71 -2.451 3.686 -4.755 1.00 1.22 H new ATOM 0 HD23 LEU A 71 -3.441 3.203 -6.152 1.00 1.22 H new ATOM 1163 N GLN A 72 1.060 1.891 -8.407 1.00 0.33 N ATOM 1164 CA GLN A 72 2.186 1.404 -9.186 1.00 0.37 C ATOM 1165 C GLN A 72 3.423 1.395 -8.300 1.00 0.33 C ATOM 1166 O GLN A 72 3.766 2.420 -7.715 1.00 0.31 O ATOM 1167 CB GLN A 72 2.393 2.300 -10.419 1.00 0.46 C ATOM 1168 CG GLN A 72 2.005 1.571 -11.708 1.00 1.07 C ATOM 1169 CD GLN A 72 3.024 0.489 -12.059 1.00 2.43 C ATOM 1170 OE1 GLN A 72 3.525 -0.211 -11.188 1.00 3.73 O ATOM 1171 NE2 GLN A 72 3.374 0.352 -13.332 1.00 3.14 N ATOM 0 H GLN A 72 1.302 2.647 -7.767 1.00 0.33 H new ATOM 0 HA GLN A 72 1.994 0.390 -9.538 1.00 0.37 H new ATOM 0 HB2 GLN A 72 1.796 3.206 -10.317 1.00 0.46 H new ATOM 0 HB3 GLN A 72 3.436 2.611 -10.474 1.00 0.46 H new ATOM 0 HG2 GLN A 72 1.019 1.121 -11.592 1.00 1.07 H new ATOM 0 HG3 GLN A 72 1.934 2.287 -12.527 1.00 1.07 H new ATOM 0 HE21 GLN A 72 2.947 0.943 -14.045 1.00 3.14 H new ATOM 0 HE22 GLN A 72 4.070 -0.345 -13.597 1.00 3.14 H new ATOM 1180 N VAL A 73 4.074 0.243 -8.171 1.00 0.39 N ATOM 1181 CA VAL A 73 5.245 0.073 -7.324 1.00 0.35 C ATOM 1182 C VAL A 73 6.495 0.237 -8.170 1.00 0.36 C ATOM 1183 O VAL A 73 6.562 -0.208 -9.313 1.00 0.44 O ATOM 1184 CB VAL A 73 5.189 -1.271 -6.575 1.00 0.39 C ATOM 1185 CG1 VAL A 73 5.203 -2.488 -7.496 1.00 0.79 C ATOM 1186 CG2 VAL A 73 6.331 -1.468 -5.569 1.00 1.01 C ATOM 0 H VAL A 73 3.798 -0.609 -8.659 1.00 0.39 H new ATOM 0 HA VAL A 73 5.266 0.841 -6.551 1.00 0.35 H new ATOM 0 HB VAL A 73 4.236 -1.207 -6.051 1.00 0.39 H new ATOM 0 HG11 VAL A 73 5.161 -3.398 -6.897 1.00 0.79 H new ATOM 0 HG12 VAL A 73 4.340 -2.451 -8.161 1.00 0.79 H new ATOM 0 HG13 VAL A 73 6.118 -2.485 -8.089 1.00 0.79 H new ATOM 0 HG21 VAL A 73 6.223 -2.437 -5.081 1.00 1.01 H new ATOM 0 HG22 VAL A 73 7.287 -1.429 -6.091 1.00 1.01 H new ATOM 0 HG23 VAL A 73 6.295 -0.678 -4.819 1.00 1.01 H new ATOM 1196 N SER A 74 7.493 0.902 -7.605 1.00 0.36 N ATOM 1197 CA SER A 74 8.818 0.930 -8.183 1.00 0.42 C ATOM 1198 C SER A 74 9.463 -0.442 -8.084 1.00 0.69 C ATOM 1199 O SER A 74 9.084 -1.250 -7.244 1.00 0.87 O ATOM 1200 CB SER A 74 9.640 2.027 -7.501 1.00 0.86 C ATOM 1201 OG SER A 74 10.105 2.948 -8.469 1.00 1.55 O ATOM 0 H SER A 74 7.402 1.432 -6.738 1.00 0.36 H new ATOM 0 HA SER A 74 8.766 1.170 -9.245 1.00 0.42 H new ATOM 0 HB2 SER A 74 9.031 2.542 -6.758 1.00 0.86 H new ATOM 0 HB3 SER A 74 10.484 1.586 -6.971 1.00 0.86 H new ATOM 0 HG SER A 74 11.068 3.089 -8.350 1.00 1.55 H new ATOM 1207 N GLU A 75 10.481 -0.691 -8.905 1.00 0.97 N ATOM 1208 CA GLU A 75 11.247 -1.932 -8.870 1.00 1.51 C ATOM 1209 C GLU A 75 11.995 -2.104 -7.546 1.00 1.15 C ATOM 1210 O GLU A 75 12.452 -3.202 -7.241 1.00 1.44 O ATOM 1211 CB GLU A 75 12.199 -1.949 -10.070 1.00 2.15 C ATOM 1212 CG GLU A 75 11.409 -2.292 -11.340 1.00 2.83 C ATOM 1213 CD GLU A 75 12.030 -1.654 -12.580 1.00 3.04 C ATOM 1214 OE1 GLU A 75 11.851 -0.423 -12.719 1.00 3.17 O ATOM 1215 OE2 GLU A 75 12.656 -2.399 -13.365 1.00 3.62 O ATOM 0 H GLU A 75 10.798 -0.033 -9.617 1.00 0.97 H new ATOM 0 HA GLU A 75 10.565 -2.780 -8.937 1.00 1.51 H new ATOM 0 HB2 GLU A 75 12.682 -0.978 -10.179 1.00 2.15 H new ATOM 0 HB3 GLU A 75 12.990 -2.682 -9.911 1.00 2.15 H new ATOM 0 HG2 GLU A 75 11.374 -3.374 -11.466 1.00 2.83 H new ATOM 0 HG3 GLU A 75 10.380 -1.951 -11.232 1.00 2.83 H new ATOM 1222 N ASP A 76 12.086 -1.051 -6.726 1.00 0.70 N ATOM 1223 CA ASP A 76 12.634 -1.146 -5.382 1.00 0.59 C ATOM 1224 C ASP A 76 11.720 -1.993 -4.504 1.00 0.50 C ATOM 1225 O ASP A 76 12.179 -2.606 -3.544 1.00 0.57 O ATOM 1226 CB ASP A 76 12.767 0.258 -4.772 1.00 0.84 C ATOM 1227 CG ASP A 76 14.187 0.795 -4.894 1.00 1.60 C ATOM 1228 OD1 ASP A 76 15.007 0.432 -4.023 1.00 1.89 O ATOM 1229 OD2 ASP A 76 14.411 1.575 -5.845 1.00 3.00 O ATOM 0 H ASP A 76 11.780 -0.112 -6.982 1.00 0.70 H new ATOM 0 HA ASP A 76 13.617 -1.614 -5.436 1.00 0.59 H new ATOM 0 HB2 ASP A 76 12.077 0.938 -5.271 1.00 0.84 H new ATOM 0 HB3 ASP A 76 12.479 0.227 -3.721 1.00 0.84 H new ATOM 1234 N GLY A 77 10.404 -1.955 -4.756 1.00 0.41 N ATOM 1235 CA GLY A 77 9.448 -2.548 -3.824 1.00 0.41 C ATOM 1236 C GLY A 77 9.596 -1.919 -2.445 1.00 0.48 C ATOM 1237 O GLY A 77 9.450 -2.585 -1.427 1.00 0.91 O ATOM 0 H GLY A 77 9.987 -1.527 -5.583 1.00 0.41 H new ATOM 0 HA2 GLY A 77 8.432 -2.401 -4.191 1.00 0.41 H new ATOM 0 HA3 GLY A 77 9.611 -3.624 -3.760 1.00 0.41 H new ATOM 1241 N LYS A 78 9.853 -0.611 -2.430 1.00 0.33 N ATOM 1242 CA LYS A 78 9.942 0.211 -1.230 1.00 0.34 C ATOM 1243 C LYS A 78 9.205 1.526 -1.420 1.00 0.30 C ATOM 1244 O LYS A 78 9.180 2.342 -0.506 1.00 0.34 O ATOM 1245 CB LYS A 78 11.424 0.422 -0.883 1.00 0.42 C ATOM 1246 CG LYS A 78 11.699 -0.016 0.555 1.00 1.26 C ATOM 1247 CD LYS A 78 13.201 -0.216 0.773 1.00 1.53 C ATOM 1248 CE LYS A 78 13.396 -1.185 1.940 1.00 2.08 C ATOM 1249 NZ LYS A 78 14.792 -1.664 2.017 1.00 2.90 N ATOM 0 H LYS A 78 10.010 -0.079 -3.286 1.00 0.33 H new ATOM 0 HA LYS A 78 9.459 -0.296 -0.395 1.00 0.34 H new ATOM 0 HB2 LYS A 78 12.050 -0.147 -1.570 1.00 0.42 H new ATOM 0 HB3 LYS A 78 11.688 1.472 -1.007 1.00 0.42 H new ATOM 0 HG2 LYS A 78 11.321 0.734 1.249 1.00 1.26 H new ATOM 0 HG3 LYS A 78 11.167 -0.944 0.768 1.00 1.26 H new ATOM 0 HD2 LYS A 78 13.666 -0.612 -0.130 1.00 1.53 H new ATOM 0 HD3 LYS A 78 13.683 0.738 0.988 1.00 1.53 H new ATOM 0 HE2 LYS A 78 13.127 -0.691 2.874 1.00 2.08 H new ATOM 0 HE3 LYS A 78 12.724 -2.035 1.825 1.00 2.08 H new ATOM 0 HZ1 LYS A 78 14.891 -2.319 2.819 1.00 2.90 H new ATOM 0 HZ2 LYS A 78 15.039 -2.157 1.135 1.00 2.90 H new ATOM 0 HZ3 LYS A 78 15.430 -0.854 2.152 1.00 2.90 H new ATOM 1263 N MET A 79 8.588 1.738 -2.585 1.00 0.27 N ATOM 1264 CA MET A 79 7.730 2.884 -2.765 1.00 0.27 C ATOM 1265 C MET A 79 6.754 2.630 -3.886 1.00 0.39 C ATOM 1266 O MET A 79 7.091 1.981 -4.874 1.00 0.56 O ATOM 1267 CB MET A 79 8.574 4.143 -3.037 1.00 0.43 C ATOM 1268 CG MET A 79 9.680 3.883 -4.066 1.00 1.62 C ATOM 1269 SD MET A 79 10.745 5.304 -4.416 1.00 2.46 S ATOM 1270 CE MET A 79 11.854 4.533 -5.626 1.00 4.17 C ATOM 0 H MET A 79 8.672 1.132 -3.401 1.00 0.27 H new ATOM 0 HA MET A 79 7.160 3.051 -1.851 1.00 0.27 H new ATOM 0 HB2 MET A 79 7.926 4.943 -3.396 1.00 0.43 H new ATOM 0 HB3 MET A 79 9.021 4.488 -2.105 1.00 0.43 H new ATOM 0 HG2 MET A 79 10.301 3.061 -3.710 1.00 1.62 H new ATOM 0 HG3 MET A 79 9.219 3.554 -4.998 1.00 1.62 H new ATOM 0 HE1 MET A 79 12.590 5.263 -5.962 1.00 4.17 H new ATOM 0 HE2 MET A 79 12.366 3.689 -5.164 1.00 4.17 H new ATOM 0 HE3 MET A 79 11.274 4.183 -6.480 1.00 4.17 H new ATOM 1280 N VAL A 80 5.538 3.135 -3.701 1.00 0.34 N ATOM 1281 CA VAL A 80 4.403 2.922 -4.569 1.00 0.31 C ATOM 1282 C VAL A 80 3.720 4.273 -4.701 1.00 0.32 C ATOM 1283 O VAL A 80 3.843 5.117 -3.813 1.00 0.41 O ATOM 1284 CB VAL A 80 3.481 1.851 -3.951 1.00 0.36 C ATOM 1285 CG1 VAL A 80 2.385 1.377 -4.911 1.00 2.31 C ATOM 1286 CG2 VAL A 80 4.316 0.633 -3.544 1.00 2.54 C ATOM 0 H VAL A 80 5.315 3.730 -2.903 1.00 0.34 H new ATOM 0 HA VAL A 80 4.685 2.553 -5.555 1.00 0.31 H new ATOM 0 HB VAL A 80 2.998 2.314 -3.091 1.00 0.36 H new ATOM 0 HG11 VAL A 80 1.770 0.624 -4.418 1.00 2.31 H new ATOM 0 HG12 VAL A 80 1.762 2.224 -5.198 1.00 2.31 H new ATOM 0 HG13 VAL A 80 2.843 0.945 -5.801 1.00 2.31 H new ATOM 0 HG21 VAL A 80 3.665 -0.125 -3.107 1.00 2.54 H new ATOM 0 HG22 VAL A 80 4.812 0.222 -4.423 1.00 2.54 H new ATOM 0 HG23 VAL A 80 5.065 0.934 -2.812 1.00 2.54 H new ATOM 1296 N ARG A 81 3.018 4.484 -5.811 1.00 0.29 N ATOM 1297 CA ARG A 81 2.263 5.705 -6.041 1.00 0.31 C ATOM 1298 C ARG A 81 0.825 5.352 -6.349 1.00 0.34 C ATOM 1299 O ARG A 81 0.585 4.396 -7.083 1.00 0.33 O ATOM 1300 CB ARG A 81 2.863 6.544 -7.177 1.00 0.36 C ATOM 1301 CG ARG A 81 3.351 5.761 -8.409 1.00 1.17 C ATOM 1302 CD ARG A 81 4.827 5.351 -8.254 1.00 1.66 C ATOM 1303 NE ARG A 81 5.329 4.624 -9.431 1.00 2.61 N ATOM 1304 CZ ARG A 81 6.572 4.141 -9.566 1.00 3.55 C ATOM 1305 NH1 ARG A 81 7.477 4.330 -8.605 1.00 4.01 N ATOM 1306 NH2 ARG A 81 6.918 3.475 -10.669 1.00 4.58 N ATOM 0 H ARG A 81 2.959 3.811 -6.575 1.00 0.29 H new ATOM 0 HA ARG A 81 2.310 6.311 -5.136 1.00 0.31 H new ATOM 0 HB2 ARG A 81 2.114 7.266 -7.503 1.00 0.36 H new ATOM 0 HB3 ARG A 81 3.702 7.113 -6.777 1.00 0.36 H new ATOM 0 HG2 ARG A 81 2.736 4.872 -8.546 1.00 1.17 H new ATOM 0 HG3 ARG A 81 3.232 6.372 -9.303 1.00 1.17 H new ATOM 0 HD2 ARG A 81 5.435 6.241 -8.093 1.00 1.66 H new ATOM 0 HD3 ARG A 81 4.937 4.725 -7.368 1.00 1.66 H new ATOM 0 HE ARG A 81 4.680 4.476 -10.204 1.00 2.61 H new ATOM 0 HH11 ARG A 81 7.225 4.845 -7.761 1.00 4.01 H new ATOM 0 HH12 ARG A 81 8.421 3.960 -8.714 1.00 4.01 H new ATOM 0 HH21 ARG A 81 6.236 3.332 -11.413 1.00 4.58 H new ATOM 0 HH22 ARG A 81 7.865 3.109 -10.768 1.00 4.58 H new ATOM 1320 N ARG A 82 -0.124 6.102 -5.794 1.00 0.49 N ATOM 1321 CA ARG A 82 -1.523 5.957 -6.170 1.00 0.55 C ATOM 1322 C ARG A 82 -1.774 6.547 -7.557 1.00 0.50 C ATOM 1323 O ARG A 82 -0.855 7.012 -8.228 1.00 0.66 O ATOM 1324 CB ARG A 82 -2.416 6.608 -5.100 1.00 0.80 C ATOM 1325 CG ARG A 82 -2.213 8.129 -5.028 1.00 1.11 C ATOM 1326 CD ARG A 82 -3.021 8.748 -3.884 1.00 1.50 C ATOM 1327 NE ARG A 82 -4.433 8.962 -4.231 1.00 1.93 N ATOM 1328 CZ ARG A 82 -4.886 9.915 -5.057 1.00 2.71 C ATOM 1329 NH1 ARG A 82 -4.066 10.860 -5.511 1.00 3.42 N ATOM 1330 NH2 ARG A 82 -6.159 9.915 -5.446 1.00 3.93 N ATOM 0 H ARG A 82 0.052 6.814 -5.085 1.00 0.49 H new ATOM 0 HA ARG A 82 -1.775 4.898 -6.224 1.00 0.55 H new ATOM 0 HB2 ARG A 82 -3.461 6.392 -5.320 1.00 0.80 H new ATOM 0 HB3 ARG A 82 -2.197 6.167 -4.128 1.00 0.80 H new ATOM 0 HG2 ARG A 82 -1.155 8.350 -4.889 1.00 1.11 H new ATOM 0 HG3 ARG A 82 -2.512 8.582 -5.973 1.00 1.11 H new ATOM 0 HD2 ARG A 82 -2.961 8.098 -3.011 1.00 1.50 H new ATOM 0 HD3 ARG A 82 -2.573 9.701 -3.604 1.00 1.50 H new ATOM 0 HE ARG A 82 -5.121 8.337 -3.811 1.00 1.93 H new ATOM 0 HH11 ARG A 82 -3.085 10.862 -5.230 1.00 3.42 H new ATOM 0 HH12 ARG A 82 -4.418 11.582 -6.139 1.00 3.42 H new ATOM 0 HH21 ARG A 82 -6.793 9.188 -5.115 1.00 3.93 H new ATOM 0 HH22 ARG A 82 -6.500 10.642 -6.075 1.00 3.93 H new ATOM 1344 N LEU A 83 -3.043 6.587 -7.951 1.00 0.64 N ATOM 1345 CA LEU A 83 -3.504 7.298 -9.127 1.00 0.68 C ATOM 1346 C LEU A 83 -3.827 8.714 -8.682 1.00 0.90 C ATOM 1347 O LEU A 83 -4.430 8.883 -7.630 1.00 1.32 O ATOM 1348 CB LEU A 83 -4.793 6.636 -9.645 1.00 1.13 C ATOM 1349 CG LEU A 83 -4.544 5.863 -10.940 1.00 2.05 C ATOM 1350 CD1 LEU A 83 -5.667 4.849 -11.128 1.00 2.54 C ATOM 1351 CD2 LEU A 83 -4.511 6.821 -12.134 1.00 3.14 C ATOM 0 H LEU A 83 -3.792 6.113 -7.446 1.00 0.64 H new ATOM 0 HA LEU A 83 -2.752 7.286 -9.916 1.00 0.68 H new ATOM 0 HB2 LEU A 83 -5.186 5.960 -8.886 1.00 1.13 H new ATOM 0 HB3 LEU A 83 -5.552 7.399 -9.816 1.00 1.13 H new ATOM 0 HG LEU A 83 -3.583 5.352 -10.879 1.00 2.05 H new ATOM 0 HD11 LEU A 83 -5.502 4.290 -12.049 1.00 2.54 H new ATOM 0 HD12 LEU A 83 -5.681 4.161 -10.283 1.00 2.54 H new ATOM 0 HD13 LEU A 83 -6.622 5.371 -11.187 1.00 2.54 H new ATOM 0 HD21 LEU A 83 -4.333 6.256 -13.049 1.00 3.14 H new ATOM 0 HD22 LEU A 83 -5.466 7.342 -12.209 1.00 3.14 H new ATOM 0 HD23 LEU A 83 -3.711 7.548 -11.995 1.00 3.14 H new ATOM 1363 N ASP A 84 -3.452 9.715 -9.477 1.00 1.17 N ATOM 1364 CA ASP A 84 -3.762 11.118 -9.213 1.00 1.66 C ATOM 1365 C ASP A 84 -5.244 11.341 -8.890 1.00 1.83 C ATOM 1366 O ASP A 84 -5.556 11.797 -7.785 1.00 2.22 O ATOM 1367 CB ASP A 84 -3.297 12.007 -10.379 1.00 2.01 C ATOM 1368 CG ASP A 84 -2.103 12.853 -9.957 1.00 2.32 C ATOM 1369 OD1 ASP A 84 -2.308 13.705 -9.067 1.00 3.08 O ATOM 1370 OD2 ASP A 84 -1.007 12.612 -10.506 1.00 2.65 O ATOM 0 H ASP A 84 -2.917 9.572 -10.334 1.00 1.17 H new ATOM 0 HA ASP A 84 -3.208 11.408 -8.321 1.00 1.66 H new ATOM 0 HB2 ASP A 84 -3.027 11.386 -11.233 1.00 2.01 H new ATOM 0 HB3 ASP A 84 -4.114 12.653 -10.700 1.00 2.01 H new ATOM 1375 N PRO A 85 -6.171 11.039 -9.816 1.00 1.93 N ATOM 1376 CA PRO A 85 -7.584 11.320 -9.620 1.00 2.31 C ATOM 1377 C PRO A 85 -8.158 10.519 -8.452 1.00 2.00 C ATOM 1378 O PRO A 85 -7.526 9.605 -7.921 1.00 1.78 O ATOM 1379 CB PRO A 85 -8.263 10.985 -10.953 1.00 2.75 C ATOM 1380 CG PRO A 85 -7.321 9.966 -11.587 1.00 2.58 C ATOM 1381 CD PRO A 85 -5.948 10.439 -11.122 1.00 2.12 C ATOM 0 HA PRO A 85 -7.755 12.363 -9.353 1.00 2.31 H new ATOM 0 HB2 PRO A 85 -9.260 10.571 -10.803 1.00 2.75 H new ATOM 0 HB3 PRO A 85 -8.377 11.870 -11.579 1.00 2.75 H new ATOM 0 HG2 PRO A 85 -7.535 8.952 -11.249 1.00 2.58 H new ATOM 0 HG3 PRO A 85 -7.401 9.963 -12.674 1.00 2.58 H new ATOM 0 HD2 PRO A 85 -5.246 9.607 -11.058 1.00 2.12 H new ATOM 0 HD3 PRO A 85 -5.524 11.161 -11.819 1.00 2.12 H new ATOM 1389 N LEU A 86 -9.364 10.879 -8.011 1.00 2.27 N ATOM 1390 CA LEU A 86 -10.001 10.135 -6.939 1.00 2.12 C ATOM 1391 C LEU A 86 -10.320 8.713 -7.414 1.00 2.02 C ATOM 1392 O LEU A 86 -10.645 8.510 -8.584 1.00 2.30 O ATOM 1393 CB LEU A 86 -11.240 10.854 -6.382 1.00 2.54 C ATOM 1394 CG LEU A 86 -12.432 11.006 -7.345 1.00 2.98 C ATOM 1395 CD1 LEU A 86 -13.732 10.866 -6.552 1.00 3.80 C ATOM 1396 CD2 LEU A 86 -12.430 12.378 -8.031 1.00 3.70 C ATOM 0 H LEU A 86 -9.905 11.664 -8.374 1.00 2.27 H new ATOM 0 HA LEU A 86 -9.301 10.071 -6.106 1.00 2.12 H new ATOM 0 HB2 LEU A 86 -11.581 10.314 -5.499 1.00 2.54 H new ATOM 0 HB3 LEU A 86 -10.939 11.848 -6.051 1.00 2.54 H new ATOM 0 HG LEU A 86 -12.350 10.233 -8.109 1.00 2.98 H new ATOM 0 HD11 LEU A 86 -14.582 10.972 -7.226 1.00 3.80 H new ATOM 0 HD12 LEU A 86 -13.765 9.885 -6.078 1.00 3.80 H new ATOM 0 HD13 LEU A 86 -13.777 11.641 -5.787 1.00 3.80 H new ATOM 0 HD21 LEU A 86 -13.285 12.450 -8.703 1.00 3.70 H new ATOM 0 HD22 LEU A 86 -12.495 13.162 -7.277 1.00 3.70 H new ATOM 0 HD23 LEU A 86 -11.509 12.498 -8.601 1.00 3.70 H new ATOM 1408 N PRO A 87 -10.209 7.723 -6.523 1.00 1.82 N ATOM 1409 CA PRO A 87 -10.506 6.342 -6.838 1.00 1.90 C ATOM 1410 C PRO A 87 -12.017 6.146 -6.940 1.00 2.11 C ATOM 1411 O PRO A 87 -12.803 6.878 -6.343 1.00 2.28 O ATOM 1412 CB PRO A 87 -9.885 5.530 -5.703 1.00 1.87 C ATOM 1413 CG PRO A 87 -9.875 6.497 -4.519 1.00 1.84 C ATOM 1414 CD PRO A 87 -9.787 7.878 -5.147 1.00 1.78 C ATOM 0 HA PRO A 87 -10.100 6.026 -7.799 1.00 1.90 H new ATOM 0 HB2 PRO A 87 -10.471 4.637 -5.484 1.00 1.87 H new ATOM 0 HB3 PRO A 87 -8.878 5.197 -5.955 1.00 1.87 H new ATOM 0 HG2 PRO A 87 -10.777 6.393 -3.916 1.00 1.84 H new ATOM 0 HG3 PRO A 87 -9.028 6.307 -3.860 1.00 1.84 H new ATOM 0 HD2 PRO A 87 -10.427 8.586 -4.621 1.00 1.78 H new ATOM 0 HD3 PRO A 87 -8.770 8.266 -5.093 1.00 1.78 H new ATOM 1422 N GLU A 88 -12.436 5.145 -7.712 1.00 2.34 N ATOM 1423 CA GLU A 88 -13.823 5.005 -8.133 1.00 2.68 C ATOM 1424 C GLU A 88 -14.570 4.092 -7.158 1.00 2.65 C ATOM 1425 O GLU A 88 -15.196 3.117 -7.564 1.00 2.80 O ATOM 1426 CB GLU A 88 -13.812 4.485 -9.579 1.00 3.31 C ATOM 1427 CG GLU A 88 -15.070 4.867 -10.364 1.00 4.01 C ATOM 1428 CD GLU A 88 -14.835 4.701 -11.870 1.00 5.19 C ATOM 1429 OE1 GLU A 88 -14.357 3.613 -12.264 1.00 6.51 O ATOM 1430 OE2 GLU A 88 -15.111 5.676 -12.605 1.00 5.35 O ATOM 0 H GLU A 88 -11.821 4.410 -8.062 1.00 2.34 H new ATOM 0 HA GLU A 88 -14.357 5.955 -8.116 1.00 2.68 H new ATOM 0 HB2 GLU A 88 -12.936 4.879 -10.094 1.00 3.31 H new ATOM 0 HB3 GLU A 88 -13.714 3.400 -9.568 1.00 3.31 H new ATOM 0 HG2 GLU A 88 -15.906 4.242 -10.049 1.00 4.01 H new ATOM 0 HG3 GLU A 88 -15.343 5.899 -10.144 1.00 4.01 H new ATOM 1437 N ASN A 89 -14.490 4.408 -5.860 1.00 3.42 N ATOM 1438 CA ASN A 89 -15.028 3.598 -4.767 1.00 4.29 C ATOM 1439 C ASN A 89 -14.593 2.140 -4.886 1.00 4.24 C ATOM 1440 O ASN A 89 -15.435 1.243 -4.903 1.00 4.89 O ATOM 1441 CB ASN A 89 -16.556 3.660 -4.732 1.00 4.84 C ATOM 1442 CG ASN A 89 -17.092 5.070 -4.545 1.00 5.29 C ATOM 1443 OD1 ASN A 89 -16.626 5.815 -3.694 1.00 5.96 O ATOM 1444 ND2 ASN A 89 -18.082 5.464 -5.334 1.00 5.28 N ATOM 0 H ASN A 89 -14.035 5.261 -5.534 1.00 3.42 H new ATOM 0 HA ASN A 89 -14.629 4.014 -3.842 1.00 4.29 H new ATOM 0 HB2 ASN A 89 -16.952 3.248 -5.660 1.00 4.84 H new ATOM 0 HB3 ASN A 89 -16.921 3.029 -3.922 1.00 4.84 H new ATOM 0 HD21 ASN A 89 -18.468 6.403 -5.237 1.00 5.28 H new ATOM 0 HD22 ASN A 89 -18.457 4.828 -6.038 1.00 5.28 H new ATOM 1451 N ILE A 90 -13.289 1.891 -4.985 1.00 3.79 N ATOM 1452 CA ILE A 90 -12.807 0.529 -5.146 1.00 4.07 C ATOM 1453 C ILE A 90 -12.400 -0.004 -3.771 1.00 4.91 C ATOM 1454 O ILE A 90 -11.797 0.713 -2.978 1.00 5.00 O ATOM 1455 CB ILE A 90 -11.654 0.516 -6.172 1.00 3.41 C ATOM 1456 CG1 ILE A 90 -12.159 0.801 -7.600 1.00 3.45 C ATOM 1457 CG2 ILE A 90 -10.849 -0.793 -6.146 1.00 4.10 C ATOM 1458 CD1 ILE A 90 -12.907 -0.368 -8.251 1.00 4.77 C ATOM 0 H ILE A 90 -12.561 2.604 -4.957 1.00 3.79 H new ATOM 0 HA ILE A 90 -13.582 -0.130 -5.538 1.00 4.07 H new ATOM 0 HB ILE A 90 -10.981 1.320 -5.873 1.00 3.41 H new ATOM 0 HG12 ILE A 90 -12.818 1.669 -7.573 1.00 3.45 H new ATOM 0 HG13 ILE A 90 -11.308 1.067 -8.227 1.00 3.45 H new ATOM 0 HG21 ILE A 90 -10.052 -0.745 -6.888 1.00 4.10 H new ATOM 0 HG22 ILE A 90 -10.415 -0.934 -5.156 1.00 4.10 H new ATOM 0 HG23 ILE A 90 -11.508 -1.630 -6.376 1.00 4.10 H new ATOM 0 HD11 ILE A 90 -13.227 -0.082 -9.253 1.00 4.77 H new ATOM 0 HD12 ILE A 90 -12.246 -1.233 -8.314 1.00 4.77 H new ATOM 0 HD13 ILE A 90 -13.780 -0.621 -7.650 1.00 4.77 H new ATOM 1470 N ASP A 91 -12.730 -1.260 -3.482 1.00 5.80 N ATOM 1471 CA ASP A 91 -12.335 -1.968 -2.275 1.00 6.71 C ATOM 1472 C ASP A 91 -12.420 -3.469 -2.555 1.00 7.27 C ATOM 1473 O ASP A 91 -12.600 -3.825 -3.748 1.00 7.10 O ATOM 1474 CB ASP A 91 -13.190 -1.537 -1.065 1.00 7.95 C ATOM 1475 CG ASP A 91 -14.698 -1.799 -1.170 1.00 8.48 C ATOM 1476 OD1 ASP A 91 -15.144 -2.504 -2.104 1.00 8.19 O ATOM 1477 OD2 ASP A 91 -15.411 -1.268 -0.287 1.00 9.57 O ATOM 1478 OXT ASP A 91 -12.170 -4.247 -1.607 1.00 8.15 O ATOM 0 H ASP A 91 -13.300 -1.830 -4.107 1.00 5.80 H new ATOM 0 HA ASP A 91 -11.308 -1.717 -2.008 1.00 6.71 H new ATOM 0 HB2 ASP A 91 -12.814 -2.051 -0.180 1.00 7.95 H new ATOM 0 HB3 ASP A 91 -13.039 -0.470 -0.902 1.00 7.95 H new TER 1483 ASP A 91