USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 638 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 23 LYS NZ :NH3+ 177:sc= 1.32 (180deg=0.0936) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.149 K(o=1.5,f=-7!) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= -0.404 USER MOD Set 2.2: A 44 GLN :FLIP amide:sc= -1.69 F(o=-2.7!,f=-2.1) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 162:sc= 1.82 (180deg=0.9) USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0.559 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0941 (180deg=0) USER MOD Single : A 2 SER OG : rot -124:sc= 0.974 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 132:sc= -3.02! USER MOD Single : A 12 ASN : amide:sc= -1.56! C(o=-1.6!,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 167:sc= 1.2 USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.16) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.062 (180deg=-0.37) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 27 LYS NZ :NH3+ 144:sc= 0.939 (180deg=0.226) USER MOD Single : A 28 SER OG : rot 137:sc= 1.73 USER MOD Single : A 29 THR OG1 : rot 85:sc= 1.31 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 95:sc= 1.37 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.95! X(o=-1.9!,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -25:sc= -0.036 USER MOD Single : A 83 ASN : amide:sc= -2.66! C(o=-2.7!,f=-7.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.130 -4.786 -12.559 1.00 5.75 N ATOM 2 CA GLY A 1 2.246 -3.969 -11.328 1.00 5.18 C ATOM 3 C GLY A 1 3.633 -4.051 -10.733 1.00 4.19 C ATOM 4 O GLY A 1 4.468 -4.821 -11.207 1.00 4.26 O ATOM 0 H1 GLY A 1 1.924 -4.167 -13.369 1.00 5.75 H new ATOM 0 H2 GLY A 1 3.024 -5.289 -12.727 1.00 5.75 H new ATOM 0 H3 GLY A 1 1.360 -5.476 -12.446 1.00 5.75 H new ATOM 0 HA2 GLY A 1 2.009 -2.930 -11.557 1.00 5.18 H new ATOM 0 HA3 GLY A 1 1.515 -4.309 -10.595 1.00 5.18 H new ATOM 10 N SER A 2 3.880 -3.263 -9.700 1.00 3.74 N ATOM 11 CA SER A 2 5.177 -3.238 -9.050 1.00 3.26 C ATOM 12 C SER A 2 5.318 -4.413 -8.090 1.00 2.09 C ATOM 13 O SER A 2 4.809 -4.377 -6.969 1.00 2.28 O ATOM 14 CB SER A 2 5.367 -1.914 -8.302 1.00 4.10 C ATOM 15 OG SER A 2 6.650 -1.837 -7.703 1.00 4.66 O ATOM 0 H SER A 2 3.193 -2.629 -9.292 1.00 3.74 H new ATOM 0 HA SER A 2 5.949 -3.324 -9.814 1.00 3.26 H new ATOM 0 HB2 SER A 2 5.236 -1.082 -8.994 1.00 4.10 H new ATOM 0 HB3 SER A 2 4.599 -1.814 -7.535 1.00 4.10 H new ATOM 0 HG SER A 2 6.553 -1.677 -6.741 1.00 4.66 H new ATOM 21 N GLY A 3 5.987 -5.463 -8.548 1.00 1.60 N ATOM 22 CA GLY A 3 6.256 -6.598 -7.691 1.00 1.30 C ATOM 23 C GLY A 3 7.305 -6.268 -6.653 1.00 1.09 C ATOM 24 O GLY A 3 8.495 -6.195 -6.965 1.00 1.32 O ATOM 0 H GLY A 3 6.348 -5.548 -9.498 1.00 1.60 H new ATOM 0 HA2 GLY A 3 5.336 -6.908 -7.195 1.00 1.30 H new ATOM 0 HA3 GLY A 3 6.592 -7.441 -8.295 1.00 1.30 H new ATOM 28 N TRP A 4 6.871 -6.060 -5.423 1.00 0.81 N ATOM 29 CA TRP A 4 7.769 -5.642 -4.361 1.00 0.60 C ATOM 30 C TRP A 4 8.368 -6.823 -3.622 1.00 0.62 C ATOM 31 O TRP A 4 8.123 -7.979 -3.966 1.00 0.74 O ATOM 32 CB TRP A 4 7.050 -4.726 -3.378 1.00 0.45 C ATOM 33 CG TRP A 4 6.906 -3.335 -3.889 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.761 -2.723 -4.295 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.959 -2.387 -4.068 1.00 0.36 C ATOM 36 NE1 TRP A 4 6.035 -1.441 -4.701 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.380 -1.214 -4.574 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.339 -2.419 -3.843 1.00 0.43 C ATOM 39 CZ2 TRP A 4 8.132 -0.080 -4.859 1.00 0.45 C ATOM 40 CZ3 TRP A 4 10.084 -1.294 -4.128 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.480 -0.138 -4.630 1.00 0.52 C ATOM 0 H TRP A 4 5.899 -6.174 -5.134 1.00 0.81 H new ATOM 0 HA TRP A 4 8.586 -5.095 -4.832 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.062 -5.134 -3.163 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.599 -4.708 -2.436 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.782 -3.178 -4.297 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.349 -0.767 -5.042 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.812 -3.308 -3.453 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.669 0.815 -5.247 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.151 -1.307 -3.961 1.00 0.52 H new ATOM 0 HH2 TRP A 4 10.090 0.728 -4.842 1.00 0.52 H new ATOM 52 N GLU A 5 9.154 -6.512 -2.601 1.00 0.66 N ATOM 53 CA GLU A 5 9.827 -7.525 -1.815 1.00 0.73 C ATOM 54 C GLU A 5 8.831 -8.415 -1.096 1.00 0.67 C ATOM 55 O GLU A 5 8.174 -8.004 -0.137 1.00 0.78 O ATOM 56 CB GLU A 5 10.775 -6.866 -0.817 1.00 0.96 C ATOM 57 CG GLU A 5 12.029 -6.319 -1.469 1.00 1.49 C ATOM 58 CD GLU A 5 12.870 -7.418 -2.080 1.00 2.14 C ATOM 59 OE1 GLU A 5 13.804 -7.890 -1.404 1.00 2.65 O ATOM 60 OE2 GLU A 5 12.586 -7.831 -3.224 1.00 2.73 O ATOM 0 H GLU A 5 9.340 -5.556 -2.299 1.00 0.66 H new ATOM 0 HA GLU A 5 10.405 -8.155 -2.491 1.00 0.73 H new ATOM 0 HB2 GLU A 5 10.253 -6.056 -0.308 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.055 -7.593 -0.055 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.753 -5.600 -2.241 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.619 -5.780 -0.728 1.00 1.49 H new ATOM 67 N SER A 6 8.731 -9.642 -1.570 1.00 0.74 N ATOM 68 CA SER A 6 7.844 -10.618 -0.978 1.00 0.87 C ATOM 69 C SER A 6 8.650 -11.564 -0.096 1.00 0.88 C ATOM 70 O SER A 6 8.106 -12.240 0.775 1.00 0.90 O ATOM 71 CB SER A 6 7.109 -11.389 -2.080 1.00 1.16 C ATOM 72 OG SER A 6 6.016 -12.127 -1.561 1.00 1.75 O ATOM 0 H SER A 6 9.260 -9.986 -2.371 1.00 0.74 H new ATOM 0 HA SER A 6 7.100 -10.114 -0.361 1.00 0.87 H new ATOM 0 HB2 SER A 6 6.751 -10.691 -2.836 1.00 1.16 H new ATOM 0 HB3 SER A 6 7.804 -12.067 -2.576 1.00 1.16 H new ATOM 0 HG SER A 6 5.569 -12.605 -2.290 1.00 1.75 H new ATOM 78 N LYS A 7 9.968 -11.575 -0.305 1.00 0.95 N ATOM 79 CA LYS A 7 10.859 -12.440 0.461 1.00 1.09 C ATOM 80 C LYS A 7 10.951 -11.973 1.911 1.00 1.03 C ATOM 81 O LYS A 7 11.369 -12.720 2.787 1.00 1.09 O ATOM 82 CB LYS A 7 12.256 -12.490 -0.190 1.00 1.37 C ATOM 83 CG LYS A 7 13.074 -11.199 -0.098 1.00 1.65 C ATOM 84 CD LYS A 7 13.825 -11.100 1.225 1.00 2.11 C ATOM 85 CE LYS A 7 14.741 -9.885 1.284 1.00 2.79 C ATOM 86 NZ LYS A 7 14.000 -8.600 1.174 1.00 3.24 N ATOM 0 H LYS A 7 10.439 -10.994 -0.999 1.00 0.95 H new ATOM 0 HA LYS A 7 10.445 -13.448 0.458 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.826 -13.294 0.276 1.00 1.37 H new ATOM 0 HB3 LYS A 7 12.138 -12.750 -1.242 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.785 -11.159 -0.924 1.00 1.65 H new ATOM 0 HG3 LYS A 7 12.412 -10.340 -0.206 1.00 1.65 H new ATOM 0 HD2 LYS A 7 13.107 -11.051 2.044 1.00 2.11 H new ATOM 0 HD3 LYS A 7 14.416 -12.004 1.373 1.00 2.11 H new ATOM 0 HE2 LYS A 7 15.297 -9.900 2.221 1.00 2.79 H new ATOM 0 HE3 LYS A 7 15.473 -9.948 0.479 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 14.600 -7.823 1.518 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 13.748 -8.429 0.180 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 13.134 -8.649 1.748 1.00 3.24 H new ATOM 100 N THR A 8 10.555 -10.730 2.149 1.00 1.01 N ATOM 101 CA THR A 8 10.643 -10.141 3.474 1.00 1.08 C ATOM 102 C THR A 8 9.587 -10.732 4.413 1.00 0.93 C ATOM 103 O THR A 8 9.773 -10.775 5.630 1.00 1.03 O ATOM 104 CB THR A 8 10.490 -8.610 3.391 1.00 1.25 C ATOM 105 OG1 THR A 8 11.370 -8.095 2.378 1.00 2.05 O ATOM 106 CG2 THR A 8 10.808 -7.948 4.724 1.00 1.66 C ATOM 0 H THR A 8 10.169 -10.110 1.437 1.00 1.01 H new ATOM 0 HA THR A 8 11.626 -10.375 3.883 1.00 1.08 H new ATOM 0 HB THR A 8 9.454 -8.385 3.138 1.00 1.25 H new ATOM 0 HG1 THR A 8 11.272 -7.121 2.324 1.00 2.05 H new ATOM 0 HG21 THR A 8 10.691 -6.868 4.631 1.00 1.66 H new ATOM 0 HG22 THR A 8 10.127 -8.323 5.488 1.00 1.66 H new ATOM 0 HG23 THR A 8 11.835 -8.178 5.009 1.00 1.66 H new ATOM 114 N GLY A 9 8.482 -11.195 3.832 1.00 0.79 N ATOM 115 CA GLY A 9 7.447 -11.854 4.611 1.00 0.79 C ATOM 116 C GLY A 9 6.675 -10.891 5.488 1.00 0.69 C ATOM 117 O GLY A 9 5.974 -11.305 6.410 1.00 0.88 O ATOM 0 H GLY A 9 8.285 -11.125 2.834 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.756 -12.359 3.936 1.00 0.79 H new ATOM 0 HA3 GLY A 9 7.902 -12.623 5.235 1.00 0.79 H new ATOM 121 N SER A 10 6.795 -9.606 5.196 1.00 0.61 N ATOM 122 CA SER A 10 6.196 -8.578 6.027 1.00 0.73 C ATOM 123 C SER A 10 4.755 -8.307 5.599 1.00 0.64 C ATOM 124 O SER A 10 3.908 -7.944 6.418 1.00 0.73 O ATOM 125 CB SER A 10 7.038 -7.300 5.950 1.00 0.96 C ATOM 126 OG SER A 10 6.713 -6.403 6.996 1.00 1.72 O ATOM 0 H SER A 10 7.304 -9.251 4.387 1.00 0.61 H new ATOM 0 HA SER A 10 6.174 -8.925 7.060 1.00 0.73 H new ATOM 0 HB2 SER A 10 8.096 -7.556 6.004 1.00 0.96 H new ATOM 0 HB3 SER A 10 6.876 -6.813 4.988 1.00 0.96 H new ATOM 0 HG SER A 10 7.536 -6.086 7.423 1.00 1.72 H new ATOM 132 N CYS A 11 4.470 -8.515 4.323 1.00 0.52 N ATOM 133 CA CYS A 11 3.137 -8.261 3.792 1.00 0.44 C ATOM 134 C CYS A 11 2.490 -9.559 3.314 1.00 0.41 C ATOM 135 O CYS A 11 3.149 -10.413 2.724 1.00 0.43 O ATOM 136 CB CYS A 11 3.229 -7.258 2.641 1.00 0.41 C ATOM 137 SG CYS A 11 1.652 -6.925 1.790 1.00 1.19 S ATOM 0 H CYS A 11 5.141 -8.858 3.636 1.00 0.52 H new ATOM 0 HA CYS A 11 2.514 -7.845 4.584 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.623 -6.318 3.027 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.948 -7.629 1.911 1.00 0.41 H new ATOM 142 N ASN A 12 1.193 -9.691 3.564 1.00 0.46 N ATOM 143 CA ASN A 12 0.460 -10.903 3.208 1.00 0.53 C ATOM 144 C ASN A 12 -0.191 -10.795 1.833 1.00 0.47 C ATOM 145 O ASN A 12 -0.434 -11.805 1.176 1.00 0.57 O ATOM 146 CB ASN A 12 -0.602 -11.227 4.268 1.00 0.69 C ATOM 147 CG ASN A 12 -1.651 -10.144 4.419 1.00 0.90 C ATOM 148 OD1 ASN A 12 -2.681 -10.168 3.748 1.00 1.66 O ATOM 149 ND2 ASN A 12 -1.408 -9.195 5.311 1.00 1.03 N ATOM 0 H ASN A 12 0.625 -8.973 4.013 1.00 0.46 H new ATOM 0 HA ASN A 12 1.186 -11.715 3.169 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.093 -12.164 4.005 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.111 -11.383 5.228 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -2.088 -8.449 5.460 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -0.541 -9.210 5.848 1.00 1.03 H new ATOM 156 N THR A 13 -0.481 -9.576 1.400 1.00 0.38 N ATOM 157 CA THR A 13 -1.208 -9.367 0.154 1.00 0.37 C ATOM 158 C THR A 13 -0.262 -9.174 -1.024 1.00 0.35 C ATOM 159 O THR A 13 -0.585 -9.526 -2.157 1.00 0.44 O ATOM 160 CB THR A 13 -2.133 -8.146 0.265 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.371 -7.003 0.664 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.241 -8.403 1.273 1.00 0.52 C ATOM 0 H THR A 13 -0.225 -8.719 1.890 1.00 0.38 H new ATOM 0 HA THR A 13 -1.804 -10.263 -0.023 1.00 0.37 H new ATOM 0 HB THR A 13 -2.587 -7.961 -0.708 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.907 -6.192 0.539 1.00 0.43 H new ATOM 0 HG21 THR A 13 -3.885 -7.526 1.337 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.830 -9.263 0.955 1.00 0.52 H new ATOM 0 HG23 THR A 13 -2.804 -8.604 2.251 1.00 0.52 H new ATOM 170 N GLY A 14 0.903 -8.613 -0.750 1.00 0.29 N ATOM 171 CA GLY A 14 1.870 -8.366 -1.798 1.00 0.31 C ATOM 172 C GLY A 14 1.834 -6.930 -2.277 1.00 0.30 C ATOM 173 O GLY A 14 2.651 -6.521 -3.104 1.00 0.43 O ATOM 0 H GLY A 14 1.198 -8.323 0.182 1.00 0.29 H new ATOM 0 HA2 GLY A 14 2.869 -8.601 -1.432 1.00 0.31 H new ATOM 0 HA3 GLY A 14 1.673 -9.033 -2.637 1.00 0.31 H new ATOM 177 N LYS A 15 0.892 -6.158 -1.752 1.00 0.24 N ATOM 178 CA LYS A 15 0.761 -4.758 -2.130 1.00 0.25 C ATOM 179 C LYS A 15 1.517 -3.865 -1.155 1.00 0.24 C ATOM 180 O LYS A 15 0.969 -3.430 -0.142 1.00 0.25 O ATOM 181 CB LYS A 15 -0.709 -4.337 -2.170 1.00 0.31 C ATOM 182 CG LYS A 15 -1.562 -5.119 -3.155 1.00 0.41 C ATOM 183 CD LYS A 15 -2.927 -4.471 -3.302 1.00 0.57 C ATOM 184 CE LYS A 15 -3.785 -5.164 -4.345 1.00 0.69 C ATOM 185 NZ LYS A 15 -4.409 -6.410 -3.838 1.00 1.64 N ATOM 0 H LYS A 15 0.209 -6.477 -1.065 1.00 0.24 H new ATOM 0 HA LYS A 15 1.188 -4.644 -3.126 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.133 -4.449 -1.172 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.764 -3.278 -2.422 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -1.065 -5.160 -4.124 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.675 -6.147 -2.812 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.441 -4.490 -2.341 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.802 -3.423 -3.576 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -4.566 -4.481 -4.679 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.173 -5.398 -5.216 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -5.290 -6.594 -4.359 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -3.754 -7.206 -3.974 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -4.621 -6.305 -2.825 1.00 1.64 H new ATOM 199 N LEU A 16 2.782 -3.613 -1.452 1.00 0.26 N ATOM 200 CA LEU A 16 3.602 -2.755 -0.620 1.00 0.30 C ATOM 201 C LEU A 16 3.621 -1.337 -1.168 1.00 0.33 C ATOM 202 O LEU A 16 4.139 -1.086 -2.254 1.00 0.55 O ATOM 203 CB LEU A 16 5.032 -3.296 -0.526 1.00 0.35 C ATOM 204 CG LEU A 16 5.212 -4.537 0.351 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.475 -5.718 -0.237 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.685 -4.866 0.534 1.00 0.43 C ATOM 0 H LEU A 16 3.262 -3.994 -2.267 1.00 0.26 H new ATOM 0 HA LEU A 16 3.167 -2.741 0.379 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.380 -3.530 -1.532 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.676 -2.505 -0.142 1.00 0.35 H new ATOM 0 HG LEU A 16 4.789 -4.319 1.332 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.616 -6.590 0.402 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.412 -5.486 -0.305 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.865 -5.931 -1.233 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.785 -5.752 1.161 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.139 -5.057 -0.439 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.189 -4.025 1.011 1.00 0.43 H new ATOM 218 N ALA A 17 3.041 -0.413 -0.425 1.00 0.27 N ATOM 219 CA ALA A 17 3.058 0.985 -0.813 1.00 0.27 C ATOM 220 C ALA A 17 3.563 1.842 0.330 1.00 0.24 C ATOM 221 O ALA A 17 3.426 1.480 1.501 1.00 0.28 O ATOM 222 CB ALA A 17 1.670 1.448 -1.238 1.00 0.29 C ATOM 0 H ALA A 17 2.553 -0.605 0.450 1.00 0.27 H new ATOM 0 HA ALA A 17 3.732 1.093 -1.663 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.709 2.499 -1.524 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.332 0.853 -2.087 1.00 0.29 H new ATOM 0 HB3 ALA A 17 0.975 1.323 -0.408 1.00 0.29 H new ATOM 228 N CYS A 18 4.178 2.960 -0.011 1.00 0.26 N ATOM 229 CA CYS A 18 4.573 3.934 0.986 1.00 0.26 C ATOM 230 C CYS A 18 3.397 4.843 1.281 1.00 0.24 C ATOM 231 O CYS A 18 3.069 5.728 0.490 1.00 0.32 O ATOM 232 CB CYS A 18 5.758 4.760 0.503 1.00 0.36 C ATOM 233 SG CYS A 18 7.206 3.768 0.022 1.00 0.74 S ATOM 0 H CYS A 18 4.414 3.214 -0.970 1.00 0.26 H new ATOM 0 HA CYS A 18 4.876 3.409 1.892 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.444 5.363 -0.349 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.051 5.452 1.292 1.00 0.36 H new ATOM 238 N CYS A 19 2.756 4.612 2.404 1.00 0.21 N ATOM 239 CA CYS A 19 1.548 5.334 2.732 1.00 0.21 C ATOM 240 C CYS A 19 1.765 6.239 3.924 1.00 0.23 C ATOM 241 O CYS A 19 2.484 5.894 4.865 1.00 0.30 O ATOM 242 CB CYS A 19 0.405 4.361 2.995 1.00 0.23 C ATOM 243 SG CYS A 19 -0.093 3.401 1.532 1.00 0.50 S ATOM 0 H CYS A 19 3.050 3.931 3.104 1.00 0.21 H new ATOM 0 HA CYS A 19 1.282 5.960 1.881 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.701 3.672 3.786 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.457 4.918 3.363 1.00 0.23 H new ATOM 248 N ASP A 20 1.142 7.399 3.876 1.00 0.23 N ATOM 249 CA ASP A 20 1.269 8.376 4.931 1.00 0.28 C ATOM 250 C ASP A 20 0.086 8.261 5.860 1.00 0.28 C ATOM 251 O ASP A 20 -1.029 8.625 5.501 1.00 0.34 O ATOM 252 CB ASP A 20 1.335 9.792 4.363 1.00 0.37 C ATOM 253 CG ASP A 20 2.650 10.103 3.671 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.628 10.470 2.478 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.711 10.001 4.325 1.00 1.33 O ATOM 0 H ASP A 20 0.537 7.687 3.107 1.00 0.23 H new ATOM 0 HA ASP A 20 2.194 8.182 5.474 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.518 9.930 3.654 1.00 0.37 H new ATOM 0 HB3 ASP A 20 1.180 10.507 5.171 1.00 0.37 H new ATOM 260 N THR A 21 0.331 7.765 7.052 1.00 0.31 N ATOM 261 CA THR A 21 -0.730 7.575 8.026 1.00 0.36 C ATOM 262 C THR A 21 -1.129 8.916 8.632 1.00 0.42 C ATOM 263 O THR A 21 -2.091 9.015 9.394 1.00 0.52 O ATOM 264 CB THR A 21 -0.298 6.608 9.142 1.00 0.41 C ATOM 265 OG1 THR A 21 0.818 7.155 9.855 1.00 0.41 O ATOM 266 CG2 THR A 21 0.083 5.252 8.563 1.00 0.43 C ATOM 0 H THR A 21 1.257 7.484 7.375 1.00 0.31 H new ATOM 0 HA THR A 21 -1.585 7.139 7.510 1.00 0.36 H new ATOM 0 HB THR A 21 -1.138 6.474 9.824 1.00 0.41 H new ATOM 0 HG1 THR A 21 1.088 6.536 10.565 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.385 4.584 9.370 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.773 4.826 8.040 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.910 5.374 7.864 1.00 0.43 H new ATOM 274 N ASN A 22 -0.378 9.949 8.266 1.00 0.43 N ATOM 275 CA ASN A 22 -0.652 11.306 8.709 1.00 0.56 C ATOM 276 C ASN A 22 -1.596 11.969 7.721 1.00 0.50 C ATOM 277 O ASN A 22 -2.108 13.063 7.956 1.00 0.63 O ATOM 278 CB ASN A 22 0.648 12.109 8.803 1.00 0.70 C ATOM 279 CG ASN A 22 1.612 11.556 9.836 1.00 1.35 C ATOM 280 OD1 ASN A 22 1.203 11.051 10.883 1.00 1.87 O ATOM 281 ND2 ASN A 22 2.900 11.632 9.539 1.00 2.20 N ATOM 0 H ASN A 22 0.435 9.867 7.656 1.00 0.43 H new ATOM 0 HA ASN A 22 -1.112 11.276 9.697 1.00 0.56 H new ATOM 0 HB2 ASN A 22 1.135 12.118 7.828 1.00 0.70 H new ATOM 0 HB3 ASN A 22 0.412 13.144 9.051 1.00 0.70 H new ATOM 0 HD21 ASN A 22 3.596 11.264 10.188 1.00 2.20 H new ATOM 0 HD22 ASN A 22 3.197 12.058 8.661 1.00 2.20 H new ATOM 288 N LYS A 23 -1.818 11.277 6.615 1.00 0.40 N ATOM 289 CA LYS A 23 -2.681 11.750 5.553 1.00 0.39 C ATOM 290 C LYS A 23 -3.799 10.761 5.311 1.00 0.32 C ATOM 291 O LYS A 23 -3.603 9.551 5.377 1.00 0.39 O ATOM 292 CB LYS A 23 -1.886 11.945 4.269 1.00 0.47 C ATOM 293 CG LYS A 23 -1.368 13.359 4.063 1.00 0.95 C ATOM 294 CD LYS A 23 -0.790 13.530 2.672 1.00 1.53 C ATOM 295 CE LYS A 23 0.393 12.611 2.492 1.00 1.84 C ATOM 296 NZ LYS A 23 0.807 12.466 1.072 1.00 2.60 N ATOM 0 H LYS A 23 -1.400 10.365 6.431 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.106 12.707 5.856 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.040 11.257 4.271 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.515 11.674 3.421 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.178 14.072 4.214 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.604 13.582 4.808 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -1.550 13.309 1.923 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -0.484 14.565 2.520 1.00 1.53 H new ATOM 0 HE2 LYS A 23 1.233 12.992 3.072 1.00 1.84 H new ATOM 0 HE3 LYS A 23 0.147 11.628 2.895 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 1.654 11.865 1.017 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 0.036 12.029 0.528 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 1.022 13.403 0.676 1.00 2.60 H new ATOM 310 N LYS A 24 -4.964 11.283 5.022 1.00 0.49 N ATOM 311 CA LYS A 24 -6.144 10.462 4.870 1.00 0.49 C ATOM 312 C LYS A 24 -6.851 10.758 3.556 1.00 0.45 C ATOM 313 O LYS A 24 -6.663 11.817 2.954 1.00 0.48 O ATOM 314 CB LYS A 24 -7.100 10.718 6.030 1.00 0.61 C ATOM 315 CG LYS A 24 -6.500 10.480 7.405 1.00 0.91 C ATOM 316 CD LYS A 24 -6.006 9.054 7.568 1.00 1.32 C ATOM 317 CE LYS A 24 -5.696 8.724 9.020 1.00 1.88 C ATOM 318 NZ LYS A 24 -6.918 8.750 9.867 1.00 2.17 N ATOM 0 H LYS A 24 -5.124 12.281 4.886 1.00 0.49 H new ATOM 0 HA LYS A 24 -5.835 9.417 4.868 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.451 11.748 5.974 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -7.974 10.077 5.913 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -5.673 11.171 7.565 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -7.247 10.695 8.169 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -6.760 8.363 7.192 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -5.111 8.909 6.963 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -5.235 7.738 9.078 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -4.970 9.439 9.408 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -6.748 8.209 10.739 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -7.151 9.734 10.110 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -7.711 8.325 9.345 1.00 2.17 H new ATOM 332 N VAL A 25 -7.653 9.803 3.118 1.00 0.46 N ATOM 333 CA VAL A 25 -8.513 9.977 1.959 1.00 0.50 C ATOM 334 C VAL A 25 -9.942 9.685 2.384 1.00 0.56 C ATOM 335 O VAL A 25 -10.163 8.873 3.283 1.00 0.57 O ATOM 336 CB VAL A 25 -8.135 9.024 0.802 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.836 9.425 -0.487 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.630 8.970 0.602 1.00 0.44 C ATOM 0 H VAL A 25 -7.727 8.885 3.556 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.398 10.999 1.597 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.473 8.024 1.075 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.552 8.738 -1.284 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.916 9.386 -0.341 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.543 10.439 -0.760 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.396 8.292 -0.218 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.258 9.967 0.366 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.154 8.613 1.515 1.00 0.44 H new ATOM 348 N GLN A 26 -10.907 10.329 1.743 1.00 0.66 N ATOM 349 CA GLN A 26 -12.312 10.149 2.083 1.00 0.78 C ATOM 350 C GLN A 26 -12.866 8.836 1.550 1.00 0.75 C ATOM 351 O GLN A 26 -14.062 8.731 1.296 1.00 0.87 O ATOM 352 CB GLN A 26 -13.154 11.281 1.537 1.00 0.97 C ATOM 353 CG GLN A 26 -13.089 11.417 0.021 1.00 1.71 C ATOM 354 CD GLN A 26 -13.854 12.616 -0.501 1.00 2.23 C ATOM 355 OE1 GLN A 26 -14.844 13.048 0.091 1.00 2.62 O ATOM 356 NE2 GLN A 26 -13.407 13.159 -1.623 1.00 2.83 N ATOM 0 H GLN A 26 -10.741 10.985 0.980 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.362 10.139 3.172 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -14.191 11.127 1.835 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -12.828 12.217 1.991 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -12.046 11.497 -0.286 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -13.488 10.512 -0.437 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -12.583 12.772 -2.084 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -13.886 13.964 -2.026 1.00 2.83 H new ATOM 365 N LYS A 27 -11.997 7.836 1.485 1.00 0.96 N ATOM 366 CA LYS A 27 -12.241 6.555 0.825 1.00 1.06 C ATOM 367 C LYS A 27 -13.048 6.681 -0.472 1.00 0.94 C ATOM 368 O LYS A 27 -14.241 6.979 -0.475 1.00 1.56 O ATOM 369 CB LYS A 27 -12.997 5.683 1.802 1.00 1.81 C ATOM 370 CG LYS A 27 -12.664 6.009 3.243 1.00 2.36 C ATOM 371 CD LYS A 27 -13.078 4.889 4.167 1.00 2.79 C ATOM 372 CE LYS A 27 -14.581 4.663 4.151 1.00 3.33 C ATOM 373 NZ LYS A 27 -14.991 3.596 5.101 1.00 4.07 N ATOM 0 H LYS A 27 -11.069 7.894 1.905 1.00 0.96 H new ATOM 0 HA LYS A 27 -11.279 6.127 0.543 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -14.068 5.807 1.642 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -12.765 4.636 1.606 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -11.593 6.187 3.340 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -13.168 6.930 3.536 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -12.570 3.970 3.873 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -12.757 5.120 5.183 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -15.091 5.592 4.407 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.897 4.393 3.143 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -15.908 3.843 5.526 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -15.077 2.693 4.593 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -14.276 3.505 5.850 1.00 4.07 H new ATOM 387 N SER A 28 -12.404 6.352 -1.571 1.00 0.83 N ATOM 388 CA SER A 28 -13.033 6.443 -2.869 1.00 1.35 C ATOM 389 C SER A 28 -13.480 5.067 -3.327 1.00 1.17 C ATOM 390 O SER A 28 -14.642 4.687 -3.177 1.00 1.46 O ATOM 391 CB SER A 28 -12.062 7.075 -3.871 1.00 2.09 C ATOM 392 OG SER A 28 -10.781 6.464 -3.793 1.00 2.46 O ATOM 0 H SER A 28 -11.441 6.018 -1.590 1.00 0.83 H new ATOM 0 HA SER A 28 -13.916 7.078 -2.803 1.00 1.35 H new ATOM 0 HB2 SER A 28 -12.458 6.971 -4.881 1.00 2.09 H new ATOM 0 HB3 SER A 28 -11.972 8.143 -3.672 1.00 2.09 H new ATOM 0 HG SER A 28 -10.439 6.304 -4.697 1.00 2.46 H new ATOM 398 N THR A 29 -12.530 4.330 -3.853 1.00 1.02 N ATOM 399 CA THR A 29 -12.731 2.964 -4.299 1.00 1.07 C ATOM 400 C THR A 29 -11.382 2.267 -4.397 1.00 1.17 C ATOM 401 O THR A 29 -10.363 2.817 -3.972 1.00 2.00 O ATOM 402 CB THR A 29 -13.441 2.907 -5.672 1.00 1.24 C ATOM 403 OG1 THR A 29 -13.138 4.086 -6.437 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.947 2.756 -5.516 1.00 1.64 C ATOM 0 H THR A 29 -11.576 4.666 -3.987 1.00 1.02 H new ATOM 0 HA THR A 29 -13.369 2.461 -3.572 1.00 1.07 H new ATOM 0 HB THR A 29 -13.071 2.030 -6.202 1.00 1.24 H new ATOM 0 HG1 THR A 29 -12.290 3.959 -6.912 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.413 2.719 -6.501 1.00 1.64 H new ATOM 0 HG22 THR A 29 -15.166 1.835 -4.976 1.00 1.64 H new ATOM 0 HG23 THR A 29 -15.342 3.606 -4.959 1.00 1.64 H new ATOM 412 N GLY A 30 -11.374 1.065 -4.940 1.00 0.96 N ATOM 413 CA GLY A 30 -10.134 0.351 -5.139 1.00 1.02 C ATOM 414 C GLY A 30 -10.140 -0.397 -6.448 1.00 1.05 C ATOM 415 O GLY A 30 -10.961 -1.293 -6.647 1.00 1.39 O ATOM 0 H GLY A 30 -12.209 0.567 -5.249 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.300 1.053 -5.122 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -9.978 -0.349 -4.318 1.00 1.02 H new ATOM 419 N GLU A 31 -9.244 -0.028 -7.354 1.00 1.00 N ATOM 420 CA GLU A 31 -9.187 -0.668 -8.661 1.00 1.18 C ATOM 421 C GLU A 31 -8.797 -2.134 -8.522 1.00 0.94 C ATOM 422 O GLU A 31 -9.233 -2.979 -9.304 1.00 1.04 O ATOM 423 CB GLU A 31 -8.224 0.072 -9.590 1.00 1.63 C ATOM 424 CG GLU A 31 -8.727 1.449 -9.996 1.00 2.14 C ATOM 425 CD GLU A 31 -7.791 2.166 -10.947 1.00 2.60 C ATOM 426 OE1 GLU A 31 -6.890 2.887 -10.472 1.00 2.90 O ATOM 427 OE2 GLU A 31 -7.952 2.018 -12.176 1.00 3.06 O ATOM 0 H GLU A 31 -8.551 0.706 -7.209 1.00 1.00 H new ATOM 0 HA GLU A 31 -10.180 -0.622 -9.108 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -7.259 0.176 -9.095 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -8.060 -0.527 -10.486 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -9.705 1.348 -10.466 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -8.864 2.058 -9.102 1.00 2.14 H new ATOM 434 N GLU A 32 -7.989 -2.435 -7.511 1.00 0.85 N ATOM 435 CA GLU A 32 -7.656 -3.814 -7.193 1.00 1.01 C ATOM 436 C GLU A 32 -8.841 -4.484 -6.500 1.00 1.08 C ATOM 437 O GLU A 32 -9.187 -5.625 -6.804 1.00 1.36 O ATOM 438 CB GLU A 32 -6.415 -3.872 -6.304 1.00 1.26 C ATOM 439 CG GLU A 32 -5.188 -3.216 -6.918 1.00 1.66 C ATOM 440 CD GLU A 32 -4.772 -3.860 -8.223 1.00 1.90 C ATOM 441 OE1 GLU A 32 -4.238 -4.986 -8.188 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.977 -3.244 -9.290 1.00 2.44 O ATOM 0 H GLU A 32 -7.555 -1.743 -6.901 1.00 0.85 H new ATOM 0 HA GLU A 32 -7.438 -4.348 -8.118 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.637 -3.387 -5.354 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -6.186 -4.915 -6.084 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -5.393 -2.159 -7.088 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -4.360 -3.270 -6.211 1.00 1.66 H new ATOM 449 N SER A 33 -9.470 -3.746 -5.585 1.00 1.06 N ATOM 450 CA SER A 33 -10.665 -4.211 -4.874 1.00 1.37 C ATOM 451 C SER A 33 -11.772 -4.641 -5.836 1.00 1.43 C ATOM 452 O SER A 33 -12.614 -5.469 -5.496 1.00 1.79 O ATOM 453 CB SER A 33 -11.202 -3.098 -3.970 1.00 1.72 C ATOM 454 OG SER A 33 -10.214 -2.643 -3.070 1.00 2.36 O ATOM 0 H SER A 33 -9.167 -2.810 -5.315 1.00 1.06 H new ATOM 0 HA SER A 33 -10.370 -5.076 -4.280 1.00 1.37 H new ATOM 0 HB2 SER A 33 -11.549 -2.266 -4.582 1.00 1.72 H new ATOM 0 HB3 SER A 33 -12.064 -3.465 -3.412 1.00 1.72 H new ATOM 0 HG SER A 33 -10.586 -1.932 -2.508 1.00 2.36 H new ATOM 460 N GLY A 34 -11.774 -4.055 -7.027 1.00 1.39 N ATOM 461 CA GLY A 34 -12.781 -4.380 -8.014 1.00 1.87 C ATOM 462 C GLY A 34 -12.558 -5.737 -8.651 1.00 2.00 C ATOM 463 O GLY A 34 -13.506 -6.383 -9.093 1.00 2.54 O ATOM 0 H GLY A 34 -11.092 -3.358 -7.326 1.00 1.39 H new ATOM 0 HA2 GLY A 34 -13.764 -4.361 -7.544 1.00 1.87 H new ATOM 0 HA3 GLY A 34 -12.784 -3.615 -8.790 1.00 1.87 H new ATOM 467 N LEU A 35 -11.306 -6.164 -8.712 1.00 1.81 N ATOM 468 CA LEU A 35 -10.970 -7.467 -9.273 1.00 2.31 C ATOM 469 C LEU A 35 -10.966 -8.527 -8.177 1.00 2.77 C ATOM 470 O LEU A 35 -11.237 -9.703 -8.422 1.00 3.49 O ATOM 471 CB LEU A 35 -9.605 -7.418 -9.964 1.00 2.32 C ATOM 472 CG LEU A 35 -9.506 -6.453 -11.149 1.00 2.47 C ATOM 473 CD1 LEU A 35 -8.097 -6.452 -11.719 1.00 2.79 C ATOM 474 CD2 LEU A 35 -10.516 -6.819 -12.229 1.00 2.93 C ATOM 0 H LEU A 35 -10.504 -5.628 -8.380 1.00 1.81 H new ATOM 0 HA LEU A 35 -11.725 -7.729 -10.014 1.00 2.31 H new ATOM 0 HB2 LEU A 35 -8.852 -7.140 -9.226 1.00 2.32 H new ATOM 0 HB3 LEU A 35 -9.356 -8.421 -10.311 1.00 2.32 H new ATOM 0 HG LEU A 35 -9.736 -5.449 -10.791 1.00 2.47 H new ATOM 0 HD11 LEU A 35 -8.045 -5.761 -12.560 1.00 2.79 H new ATOM 0 HD12 LEU A 35 -7.393 -6.139 -10.948 1.00 2.79 H new ATOM 0 HD13 LEU A 35 -7.841 -7.456 -12.058 1.00 2.79 H new ATOM 0 HD21 LEU A 35 -10.428 -6.120 -13.061 1.00 2.93 H new ATOM 0 HD22 LEU A 35 -10.320 -7.831 -12.583 1.00 2.93 H new ATOM 0 HD23 LEU A 35 -11.524 -6.768 -11.817 1.00 2.93 H new ATOM 486 N LEU A 36 -10.650 -8.095 -6.968 1.00 2.50 N ATOM 487 CA LEU A 36 -10.633 -8.969 -5.814 1.00 3.01 C ATOM 488 C LEU A 36 -11.980 -8.933 -5.103 1.00 2.81 C ATOM 489 O LEU A 36 -12.901 -8.237 -5.529 1.00 2.34 O ATOM 490 CB LEU A 36 -9.522 -8.537 -4.859 1.00 3.19 C ATOM 491 CG LEU A 36 -8.117 -9.052 -5.194 1.00 4.01 C ATOM 492 CD1 LEU A 36 -7.628 -8.501 -6.525 1.00 4.60 C ATOM 493 CD2 LEU A 36 -7.146 -8.692 -4.084 1.00 4.79 C ATOM 0 H LEU A 36 -10.399 -7.128 -6.762 1.00 2.50 H new ATOM 0 HA LEU A 36 -10.444 -9.990 -6.145 1.00 3.01 H new ATOM 0 HB2 LEU A 36 -9.493 -7.448 -4.834 1.00 3.19 H new ATOM 0 HB3 LEU A 36 -9.781 -8.872 -3.855 1.00 3.19 H new ATOM 0 HG LEU A 36 -8.169 -10.137 -5.281 1.00 4.01 H new ATOM 0 HD11 LEU A 36 -6.629 -8.885 -6.733 1.00 4.60 H new ATOM 0 HD12 LEU A 36 -8.308 -8.810 -7.319 1.00 4.60 H new ATOM 0 HD13 LEU A 36 -7.596 -7.412 -6.478 1.00 4.60 H new ATOM 0 HD21 LEU A 36 -6.153 -9.064 -4.335 1.00 4.79 H new ATOM 0 HD22 LEU A 36 -7.110 -7.609 -3.969 1.00 4.79 H new ATOM 0 HD23 LEU A 36 -7.477 -9.145 -3.150 1.00 4.79 H new ATOM 505 N HIS A 37 -12.100 -9.696 -4.026 1.00 3.51 N ATOM 506 CA HIS A 37 -13.333 -9.724 -3.251 1.00 3.61 C ATOM 507 C HIS A 37 -13.173 -8.939 -1.959 1.00 3.25 C ATOM 508 O HIS A 37 -14.098 -8.849 -1.155 1.00 2.95 O ATOM 509 CB HIS A 37 -13.760 -11.161 -2.942 1.00 4.74 C ATOM 510 CG HIS A 37 -14.247 -11.920 -4.138 1.00 5.33 C ATOM 511 ND1 HIS A 37 -15.457 -11.667 -4.749 1.00 5.88 N ATOM 512 CD2 HIS A 37 -13.684 -12.935 -4.832 1.00 5.85 C ATOM 513 CE1 HIS A 37 -15.616 -12.497 -5.763 1.00 6.59 C ATOM 514 NE2 HIS A 37 -14.556 -13.276 -5.835 1.00 6.59 N ATOM 0 H HIS A 37 -11.361 -10.302 -3.669 1.00 3.51 H new ATOM 0 HA HIS A 37 -14.112 -9.257 -3.853 1.00 3.61 H new ATOM 0 HB2 HIS A 37 -12.916 -11.694 -2.504 1.00 4.74 H new ATOM 0 HB3 HIS A 37 -14.549 -11.141 -2.190 1.00 4.74 H new ATOM 0 HD2 HIS A 37 -12.726 -13.392 -4.634 1.00 5.85 H new ATOM 0 HE1 HIS A 37 -16.471 -12.532 -6.422 1.00 6.59 H new ATOM 0 HE2 HIS A 37 -14.408 -14.013 -6.524 1.00 6.59 H new ATOM 523 N THR A 38 -11.999 -8.356 -1.777 1.00 3.58 N ATOM 524 CA THR A 38 -11.702 -7.568 -0.593 1.00 3.68 C ATOM 525 C THR A 38 -12.428 -6.224 -0.618 1.00 3.15 C ATOM 526 O THR A 38 -12.541 -5.547 0.406 1.00 3.20 O ATOM 527 CB THR A 38 -10.186 -7.348 -0.480 1.00 4.74 C ATOM 528 OG1 THR A 38 -9.621 -7.295 -1.795 1.00 5.22 O ATOM 529 CG2 THR A 38 -9.530 -8.465 0.315 1.00 5.42 C ATOM 0 H THR A 38 -11.229 -8.415 -2.443 1.00 3.58 H new ATOM 0 HA THR A 38 -12.055 -8.120 0.278 1.00 3.68 H new ATOM 0 HB THR A 38 -10.006 -6.409 0.043 1.00 4.74 H new ATOM 0 HG1 THR A 38 -9.551 -6.361 -2.084 1.00 5.22 H new ATOM 0 HG21 THR A 38 -8.457 -8.284 0.379 1.00 5.42 H new ATOM 0 HG22 THR A 38 -9.954 -8.495 1.319 1.00 5.42 H new ATOM 0 HG23 THR A 38 -9.708 -9.418 -0.182 1.00 5.42 H new ATOM 537 N GLY A 39 -12.948 -5.864 -1.789 1.00 2.92 N ATOM 538 CA GLY A 39 -13.671 -4.616 -1.941 1.00 3.07 C ATOM 539 C GLY A 39 -15.124 -4.730 -1.533 1.00 2.65 C ATOM 540 O GLY A 39 -15.935 -3.858 -1.848 1.00 3.27 O ATOM 0 H GLY A 39 -12.880 -6.421 -2.641 1.00 2.92 H new ATOM 0 HA2 GLY A 39 -13.188 -3.846 -1.340 1.00 3.07 H new ATOM 0 HA3 GLY A 39 -13.614 -4.292 -2.980 1.00 3.07 H new ATOM 544 N ASP A 40 -15.456 -5.811 -0.846 1.00 2.12 N ATOM 545 CA ASP A 40 -16.821 -6.047 -0.396 1.00 2.43 C ATOM 546 C ASP A 40 -17.144 -5.166 0.800 1.00 2.44 C ATOM 547 O ASP A 40 -18.231 -4.598 0.900 1.00 3.10 O ATOM 548 CB ASP A 40 -16.997 -7.512 -0.008 1.00 2.68 C ATOM 549 CG ASP A 40 -18.452 -7.922 0.082 1.00 3.59 C ATOM 550 OD1 ASP A 40 -19.055 -7.738 1.161 1.00 4.07 O ATOM 551 OD2 ASP A 40 -19.001 -8.418 -0.921 1.00 4.15 O ATOM 0 H ASP A 40 -14.796 -6.544 -0.586 1.00 2.12 H new ATOM 0 HA ASP A 40 -17.501 -5.803 -1.213 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -16.491 -8.141 -0.741 1.00 2.68 H new ATOM 0 HB3 ASP A 40 -16.514 -7.690 0.953 1.00 2.68 H new ATOM 556 N VAL A 41 -16.177 -5.046 1.694 1.00 1.88 N ATOM 557 CA VAL A 41 -16.356 -4.282 2.923 1.00 1.83 C ATOM 558 C VAL A 41 -16.194 -2.782 2.707 1.00 1.57 C ATOM 559 O VAL A 41 -15.354 -2.336 1.928 1.00 1.47 O ATOM 560 CB VAL A 41 -15.359 -4.719 4.013 1.00 1.92 C ATOM 561 CG1 VAL A 41 -15.764 -6.063 4.597 1.00 2.58 C ATOM 562 CG2 VAL A 41 -13.947 -4.781 3.455 1.00 1.85 C ATOM 0 H VAL A 41 -15.254 -5.469 1.593 1.00 1.88 H new ATOM 0 HA VAL A 41 -17.377 -4.488 3.246 1.00 1.83 H new ATOM 0 HB VAL A 41 -15.377 -3.978 4.812 1.00 1.92 H new ATOM 0 HG11 VAL A 41 -15.049 -6.356 5.365 1.00 2.58 H new ATOM 0 HG12 VAL A 41 -16.758 -5.984 5.038 1.00 2.58 H new ATOM 0 HG13 VAL A 41 -15.776 -6.814 3.807 1.00 2.58 H new ATOM 0 HG21 VAL A 41 -13.259 -5.092 4.241 1.00 1.85 H new ATOM 0 HG22 VAL A 41 -13.911 -5.499 2.636 1.00 1.85 H new ATOM 0 HG23 VAL A 41 -13.658 -3.797 3.087 1.00 1.85 H new ATOM 572 N LEU A 42 -17.017 -2.016 3.411 1.00 1.77 N ATOM 573 CA LEU A 42 -16.862 -0.580 3.501 1.00 1.81 C ATOM 574 C LEU A 42 -15.917 -0.251 4.647 1.00 1.47 C ATOM 575 O LEU A 42 -15.504 0.894 4.835 1.00 1.56 O ATOM 576 CB LEU A 42 -18.218 0.061 3.751 1.00 2.42 C ATOM 577 CG LEU A 42 -19.235 -0.073 2.620 1.00 2.97 C ATOM 578 CD1 LEU A 42 -20.572 0.504 3.048 1.00 3.50 C ATOM 579 CD2 LEU A 42 -18.733 0.619 1.360 1.00 3.37 C ATOM 0 H LEU A 42 -17.812 -2.380 3.936 1.00 1.77 H new ATOM 0 HA LEU A 42 -16.450 -0.194 2.569 1.00 1.81 H new ATOM 0 HB2 LEU A 42 -18.646 -0.378 4.653 1.00 2.42 H new ATOM 0 HB3 LEU A 42 -18.066 1.121 3.954 1.00 2.42 H new ATOM 0 HG LEU A 42 -19.367 -1.132 2.396 1.00 2.97 H new ATOM 0 HD11 LEU A 42 -21.289 0.403 2.234 1.00 3.50 H new ATOM 0 HD12 LEU A 42 -20.937 -0.034 3.922 1.00 3.50 H new ATOM 0 HD13 LEU A 42 -20.451 1.558 3.296 1.00 3.50 H new ATOM 0 HD21 LEU A 42 -19.473 0.511 0.567 1.00 3.37 H new ATOM 0 HD22 LEU A 42 -18.573 1.677 1.566 1.00 3.37 H new ATOM 0 HD23 LEU A 42 -17.794 0.164 1.045 1.00 3.37 H new ATOM 591 N ASP A 43 -15.588 -1.292 5.408 1.00 1.24 N ATOM 592 CA ASP A 43 -14.715 -1.199 6.576 1.00 1.03 C ATOM 593 C ASP A 43 -13.301 -0.771 6.187 1.00 0.78 C ATOM 594 O ASP A 43 -12.495 -0.400 7.044 1.00 0.77 O ATOM 595 CB ASP A 43 -14.685 -2.558 7.286 1.00 1.22 C ATOM 596 CG ASP A 43 -13.838 -2.562 8.541 1.00 1.63 C ATOM 597 OD1 ASP A 43 -14.288 -2.010 9.568 1.00 2.29 O ATOM 598 OD2 ASP A 43 -12.715 -3.109 8.503 1.00 2.03 O ATOM 0 H ASP A 43 -15.925 -2.238 5.228 1.00 1.24 H new ATOM 0 HA ASP A 43 -15.110 -0.437 7.248 1.00 1.03 H new ATOM 0 HB2 ASP A 43 -15.704 -2.848 7.543 1.00 1.22 H new ATOM 0 HB3 ASP A 43 -14.304 -3.311 6.597 1.00 1.22 H new ATOM 603 N GLN A 44 -13.005 -0.838 4.893 1.00 0.64 N ATOM 604 CA GLN A 44 -11.716 -0.409 4.365 1.00 0.45 C ATOM 605 C GLN A 44 -11.335 0.989 4.853 1.00 0.42 C ATOM 606 O GLN A 44 -12.189 1.859 5.028 1.00 0.57 O ATOM 607 CB GLN A 44 -11.727 -0.397 2.841 1.00 0.42 C ATOM 608 CG GLN A 44 -12.124 -1.717 2.205 1.00 0.57 C ATOM 609 CD GLN A 44 -12.134 -1.643 0.692 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.819 -2.749 0.043 1.00 1.40 O flip ATOM 611 NE2 GLN A 44 -12.414 -0.594 0.111 1.00 1.18 N flip ATOM 0 H GLN A 44 -13.649 -1.190 4.184 1.00 0.64 H new ATOM 0 HA GLN A 44 -10.981 -1.127 4.729 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.415 0.377 2.501 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.735 -0.120 2.485 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.431 -2.495 2.524 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.113 -2.006 2.559 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -12.652 0.239 0.649 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.408 -0.558 -0.908 1.00 1.18 H new ATOM 620 N VAL A 45 -10.043 1.188 5.046 1.00 0.33 N ATOM 621 CA VAL A 45 -9.501 2.473 5.460 1.00 0.36 C ATOM 622 C VAL A 45 -8.555 2.981 4.385 1.00 0.27 C ATOM 623 O VAL A 45 -7.646 2.266 3.964 1.00 0.33 O ATOM 624 CB VAL A 45 -8.742 2.370 6.803 1.00 0.48 C ATOM 625 CG1 VAL A 45 -8.209 3.729 7.232 1.00 1.19 C ATOM 626 CG2 VAL A 45 -9.634 1.781 7.885 1.00 1.37 C ATOM 0 H VAL A 45 -9.337 0.462 4.920 1.00 0.33 H new ATOM 0 HA VAL A 45 -10.333 3.164 5.599 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.893 1.702 6.657 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -7.679 3.630 8.179 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.526 4.108 6.472 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -9.040 4.424 7.352 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -9.078 1.718 8.821 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -10.507 2.419 8.024 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -9.957 0.783 7.587 1.00 1.37 H new ATOM 636 N ALA A 46 -8.783 4.200 3.934 1.00 0.24 N ATOM 637 CA ALA A 46 -8.006 4.761 2.840 1.00 0.21 C ATOM 638 C ALA A 46 -7.101 5.887 3.310 1.00 0.20 C ATOM 639 O ALA A 46 -7.574 6.942 3.743 1.00 0.30 O ATOM 640 CB ALA A 46 -8.928 5.260 1.742 1.00 0.29 C ATOM 0 H ALA A 46 -9.500 4.823 4.307 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.372 3.966 2.447 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.333 5.677 0.929 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.527 4.431 1.365 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.587 6.031 2.142 1.00 0.29 H new ATOM 646 N ILE A 47 -5.803 5.655 3.224 1.00 0.21 N ATOM 647 CA ILE A 47 -4.825 6.695 3.481 1.00 0.21 C ATOM 648 C ILE A 47 -4.125 7.070 2.185 1.00 0.20 C ATOM 649 O ILE A 47 -4.210 6.343 1.192 1.00 0.21 O ATOM 650 CB ILE A 47 -3.779 6.286 4.543 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.152 4.926 4.221 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.406 6.270 5.925 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.157 4.464 5.267 1.00 0.23 C ATOM 0 H ILE A 47 -5.401 4.751 2.977 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.366 7.553 3.881 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.981 7.029 4.527 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.943 4.182 4.127 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.652 4.983 3.254 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.656 5.980 6.661 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.784 7.264 6.164 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.228 5.555 5.943 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.750 3.495 4.979 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.347 5.189 5.344 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.658 4.375 6.231 1.00 0.23 H new ATOM 665 N GLN A 48 -3.460 8.213 2.191 1.00 0.24 N ATOM 666 CA GLN A 48 -2.821 8.722 0.989 1.00 0.25 C ATOM 667 C GLN A 48 -1.412 8.180 0.894 1.00 0.22 C ATOM 668 O GLN A 48 -0.619 8.278 1.835 1.00 0.36 O ATOM 669 CB GLN A 48 -2.835 10.256 0.993 1.00 0.36 C ATOM 670 CG GLN A 48 -2.871 10.874 -0.398 1.00 0.47 C ATOM 671 CD GLN A 48 -1.568 10.716 -1.153 1.00 1.43 C ATOM 672 OE1 GLN A 48 -0.488 10.730 -0.564 1.00 2.38 O ATOM 673 NE2 GLN A 48 -1.666 10.545 -2.458 1.00 1.78 N ATOM 0 H GLN A 48 -3.349 8.806 3.014 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.374 8.388 0.111 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.702 10.601 1.556 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.950 10.617 1.518 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.675 10.414 -0.973 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -3.108 11.935 -0.312 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.583 10.540 -2.904 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -0.825 10.417 -3.020 1.00 1.78 H new ATOM 682 N CYS A 49 -1.122 7.602 -0.249 1.00 0.26 N ATOM 683 CA CYS A 49 0.115 6.898 -0.464 1.00 0.25 C ATOM 684 C CYS A 49 0.871 7.489 -1.644 1.00 0.28 C ATOM 685 O CYS A 49 0.292 8.182 -2.479 1.00 0.32 O ATOM 686 CB CYS A 49 -0.189 5.426 -0.715 1.00 0.25 C ATOM 687 SG CYS A 49 -1.301 4.671 0.515 1.00 1.15 S ATOM 0 H CYS A 49 -1.743 7.609 -1.058 1.00 0.26 H new ATOM 0 HA CYS A 49 0.743 6.997 0.421 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.636 5.323 -1.704 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.749 4.871 -0.729 1.00 0.25 H new ATOM 692 N THR A 50 2.162 7.217 -1.705 1.00 0.28 N ATOM 693 CA THR A 50 2.999 7.729 -2.772 1.00 0.36 C ATOM 694 C THR A 50 4.279 6.904 -2.865 1.00 0.38 C ATOM 695 O THR A 50 4.812 6.458 -1.848 1.00 0.45 O ATOM 696 CB THR A 50 3.329 9.226 -2.563 1.00 0.46 C ATOM 697 OG1 THR A 50 4.065 9.742 -3.680 1.00 0.60 O ATOM 698 CG2 THR A 50 4.124 9.440 -1.286 1.00 0.54 C ATOM 0 H THR A 50 2.655 6.641 -1.023 1.00 0.28 H new ATOM 0 HA THR A 50 2.450 7.644 -3.710 1.00 0.36 H new ATOM 0 HB THR A 50 2.384 9.762 -2.478 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.263 10.690 -3.531 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.341 10.501 -1.166 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.543 9.090 -0.433 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.059 8.883 -1.342 1.00 0.54 H new ATOM 706 N GLN A 51 4.757 6.666 -4.074 1.00 0.39 N ATOM 707 CA GLN A 51 5.949 5.864 -4.250 1.00 0.42 C ATOM 708 C GLN A 51 7.043 6.665 -4.949 1.00 0.42 C ATOM 709 O GLN A 51 6.891 7.090 -6.096 1.00 0.58 O ATOM 710 CB GLN A 51 5.616 4.585 -5.024 1.00 0.57 C ATOM 711 CG GLN A 51 6.441 3.388 -4.581 1.00 0.66 C ATOM 712 CD GLN A 51 7.881 3.455 -5.046 1.00 1.01 C ATOM 713 OE1 GLN A 51 8.165 3.942 -6.137 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.799 2.999 -4.206 1.00 0.74 N ATOM 0 H GLN A 51 4.341 7.014 -4.938 1.00 0.39 H new ATOM 0 HA GLN A 51 6.327 5.579 -3.268 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.558 4.356 -4.898 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.780 4.758 -6.088 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.419 3.322 -3.493 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.983 2.476 -4.965 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.518 2.602 -3.309 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.787 3.045 -4.456 1.00 0.74 H new ATOM 723 N ILE A 52 8.133 6.882 -4.227 1.00 0.43 N ATOM 724 CA ILE A 52 9.303 7.576 -4.751 1.00 0.50 C ATOM 725 C ILE A 52 10.059 6.662 -5.719 1.00 0.56 C ATOM 726 O ILE A 52 10.308 5.502 -5.395 1.00 0.65 O ATOM 727 CB ILE A 52 10.223 8.005 -3.586 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.453 8.926 -2.637 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.483 8.694 -4.094 1.00 0.85 C ATOM 730 CD1 ILE A 52 10.250 9.364 -1.432 1.00 0.95 C ATOM 0 H ILE A 52 8.232 6.581 -3.258 1.00 0.43 H new ATOM 0 HA ILE A 52 8.982 8.467 -5.290 1.00 0.50 H new ATOM 0 HB ILE A 52 10.536 7.110 -3.048 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.129 9.809 -3.187 1.00 0.72 H new ATOM 0 HG13 ILE A 52 8.553 8.413 -2.299 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.107 8.982 -3.248 1.00 0.85 H new ATOM 0 HG22 ILE A 52 12.037 8.010 -4.737 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.208 9.583 -4.661 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.637 10.014 -0.807 1.00 0.95 H new ATOM 0 HD12 ILE A 52 10.552 8.488 -0.858 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.137 9.907 -1.760 1.00 0.95 H new ATOM 742 N PRO A 53 10.438 7.200 -6.906 1.00 0.66 N ATOM 743 CA PRO A 53 11.031 6.443 -8.021 1.00 0.80 C ATOM 744 C PRO A 53 11.916 5.279 -7.583 1.00 0.82 C ATOM 745 O PRO A 53 13.010 5.472 -7.043 1.00 0.87 O ATOM 746 CB PRO A 53 11.861 7.508 -8.730 1.00 0.95 C ATOM 747 CG PRO A 53 11.102 8.779 -8.528 1.00 0.85 C ATOM 748 CD PRO A 53 10.297 8.623 -7.258 1.00 0.70 C ATOM 0 HA PRO A 53 10.267 5.966 -8.635 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.864 7.574 -8.308 1.00 0.95 H new ATOM 0 HB3 PRO A 53 11.976 7.280 -9.790 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.784 9.626 -8.450 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.447 8.975 -9.377 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.677 9.268 -6.465 1.00 0.70 H new ATOM 0 HD3 PRO A 53 9.252 8.892 -7.414 1.00 0.70 H new ATOM 756 N LEU A 54 11.423 4.077 -7.851 1.00 0.90 N ATOM 757 CA LEU A 54 12.010 2.851 -7.345 1.00 0.96 C ATOM 758 C LEU A 54 13.090 2.298 -8.265 1.00 0.90 C ATOM 759 O LEU A 54 13.000 2.404 -9.492 1.00 1.03 O ATOM 760 CB LEU A 54 10.905 1.804 -7.130 1.00 1.27 C ATOM 761 CG LEU A 54 10.118 1.395 -8.385 1.00 1.07 C ATOM 762 CD1 LEU A 54 10.762 0.200 -9.074 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.672 1.086 -8.036 1.00 1.08 C ATOM 0 H LEU A 54 10.597 3.928 -8.431 1.00 0.90 H new ATOM 0 HA LEU A 54 12.493 3.083 -6.396 1.00 0.96 H new ATOM 0 HB2 LEU A 54 11.356 0.910 -6.700 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.201 2.192 -6.393 1.00 1.27 H new ATOM 0 HG LEU A 54 10.137 2.237 -9.077 1.00 1.07 H new ATOM 0 HD11 LEU A 54 10.183 -0.066 -9.958 1.00 1.67 H new ATOM 0 HD12 LEU A 54 11.779 0.455 -9.370 1.00 1.67 H new ATOM 0 HD13 LEU A 54 10.786 -0.646 -8.388 1.00 1.67 H new ATOM 0 HD21 LEU A 54 8.133 0.799 -8.939 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.638 0.267 -7.317 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.206 1.970 -7.601 1.00 1.08 H new ATOM 775 N LEU A 55 14.135 1.761 -7.657 1.00 0.88 N ATOM 776 CA LEU A 55 15.130 0.986 -8.374 1.00 0.96 C ATOM 777 C LEU A 55 14.765 -0.495 -8.293 1.00 0.93 C ATOM 778 O LEU A 55 14.249 -0.959 -7.274 1.00 0.85 O ATOM 779 CB LEU A 55 16.516 1.220 -7.770 1.00 1.08 C ATOM 780 CG LEU A 55 16.961 2.684 -7.705 1.00 1.26 C ATOM 781 CD1 LEU A 55 18.368 2.788 -7.141 1.00 1.52 C ATOM 782 CD2 LEU A 55 16.887 3.334 -9.079 1.00 1.58 C ATOM 0 H LEU A 55 14.316 1.850 -6.657 1.00 0.88 H new ATOM 0 HA LEU A 55 15.151 1.299 -9.418 1.00 0.96 H new ATOM 0 HB2 LEU A 55 16.529 0.808 -6.761 1.00 1.08 H new ATOM 0 HB3 LEU A 55 17.248 0.660 -8.353 1.00 1.08 H new ATOM 0 HG LEU A 55 16.281 3.217 -7.040 1.00 1.26 H new ATOM 0 HD11 LEU A 55 18.668 3.835 -7.102 1.00 1.52 H new ATOM 0 HD12 LEU A 55 18.389 2.367 -6.136 1.00 1.52 H new ATOM 0 HD13 LEU A 55 19.058 2.237 -7.780 1.00 1.52 H new ATOM 0 HD21 LEU A 55 17.208 4.373 -9.008 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.539 2.800 -9.770 1.00 1.58 H new ATOM 0 HD23 LEU A 55 15.861 3.295 -9.445 1.00 1.58 H new ATOM 794 N ILE A 56 15.029 -1.234 -9.361 1.00 1.10 N ATOM 795 CA ILE A 56 14.649 -2.640 -9.427 1.00 1.16 C ATOM 796 C ILE A 56 15.477 -3.467 -8.453 1.00 1.07 C ATOM 797 O ILE A 56 16.708 -3.365 -8.420 1.00 1.14 O ATOM 798 CB ILE A 56 14.825 -3.217 -10.844 1.00 1.45 C ATOM 799 CG1 ILE A 56 14.120 -2.328 -11.875 1.00 1.68 C ATOM 800 CG2 ILE A 56 14.296 -4.644 -10.915 1.00 1.58 C ATOM 801 CD1 ILE A 56 14.285 -2.800 -13.305 1.00 2.11 C ATOM 0 H ILE A 56 15.504 -0.885 -10.193 1.00 1.10 H new ATOM 0 HA ILE A 56 13.594 -2.693 -9.157 1.00 1.16 H new ATOM 0 HB ILE A 56 15.890 -3.238 -11.076 1.00 1.45 H new ATOM 0 HG12 ILE A 56 13.057 -2.285 -11.637 1.00 1.68 H new ATOM 0 HG13 ILE A 56 14.507 -1.313 -11.791 1.00 1.68 H new ATOM 0 HG21 ILE A 56 14.430 -5.032 -11.925 1.00 1.58 H new ATOM 0 HG22 ILE A 56 14.843 -5.270 -10.210 1.00 1.58 H new ATOM 0 HG23 ILE A 56 13.236 -4.652 -10.661 1.00 1.58 H new ATOM 0 HD11 ILE A 56 13.759 -2.121 -13.975 1.00 2.11 H new ATOM 0 HD12 ILE A 56 15.344 -2.816 -13.563 1.00 2.11 H new ATOM 0 HD13 ILE A 56 13.871 -3.803 -13.407 1.00 2.11 H new ATOM 813 N GLY A 57 14.792 -4.281 -7.672 1.00 1.03 N ATOM 814 CA GLY A 57 15.450 -5.104 -6.677 1.00 1.00 C ATOM 815 C GLY A 57 15.583 -4.402 -5.338 1.00 0.86 C ATOM 816 O GLY A 57 16.113 -4.968 -4.381 1.00 0.90 O ATOM 0 H GLY A 57 13.778 -4.389 -7.708 1.00 1.03 H new ATOM 0 HA2 GLY A 57 14.887 -6.028 -6.545 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.440 -5.382 -7.038 1.00 1.00 H new ATOM 820 N ILE A 58 15.106 -3.169 -5.267 1.00 0.77 N ATOM 821 CA ILE A 58 15.209 -2.381 -4.050 1.00 0.66 C ATOM 822 C ILE A 58 13.958 -2.517 -3.189 1.00 0.61 C ATOM 823 O ILE A 58 12.867 -2.812 -3.678 1.00 0.69 O ATOM 824 CB ILE A 58 15.503 -0.890 -4.372 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.956 -0.551 -4.020 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.546 0.055 -3.656 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.269 -0.661 -2.539 1.00 0.71 C ATOM 0 H ILE A 58 14.643 -2.692 -6.040 1.00 0.77 H new ATOM 0 HA ILE A 58 16.048 -2.774 -3.476 1.00 0.66 H new ATOM 0 HB ILE A 58 15.349 -0.750 -5.442 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.619 -1.217 -4.572 1.00 0.72 H new ATOM 0 HG13 ILE A 58 17.174 0.464 -4.353 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.792 1.085 -3.913 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.523 -0.161 -3.964 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.638 -0.082 -2.579 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.315 -0.406 -2.368 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.633 0.025 -1.981 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.085 -1.681 -2.203 1.00 0.71 H new ATOM 839 N ALA A 59 14.149 -2.310 -1.901 1.00 0.57 N ATOM 840 CA ALA A 59 13.090 -2.425 -0.921 1.00 0.59 C ATOM 841 C ALA A 59 12.278 -1.137 -0.826 1.00 0.49 C ATOM 842 O ALA A 59 12.829 -0.043 -0.715 1.00 0.50 O ATOM 843 CB ALA A 59 13.710 -2.752 0.419 1.00 0.68 C ATOM 0 H ALA A 59 15.053 -2.055 -1.503 1.00 0.57 H new ATOM 0 HA ALA A 59 12.407 -3.218 -1.225 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.926 -2.842 1.170 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.255 -3.693 0.348 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.397 -1.956 0.706 1.00 0.68 H new ATOM 849 N ILE A 60 10.956 -1.307 -0.854 1.00 0.46 N ATOM 850 CA ILE A 60 9.983 -0.213 -0.729 1.00 0.42 C ATOM 851 C ILE A 60 10.293 0.678 0.474 1.00 0.40 C ATOM 852 O ILE A 60 10.184 1.898 0.404 1.00 0.39 O ATOM 853 CB ILE A 60 8.555 -0.805 -0.567 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.497 0.291 -0.429 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.498 -1.744 0.633 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.187 1.001 -1.723 1.00 0.69 C ATOM 0 H ILE A 60 10.520 -2.223 -0.966 1.00 0.46 H new ATOM 0 HA ILE A 60 10.043 0.395 -1.632 1.00 0.42 H new ATOM 0 HB ILE A 60 8.333 -1.369 -1.473 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.580 -0.149 -0.038 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.838 1.022 0.304 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.491 -2.149 0.731 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.205 -2.561 0.490 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.757 -1.194 1.538 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.429 1.764 -1.547 1.00 0.69 H new ATOM 0 HD12 ILE A 60 8.093 1.471 -2.106 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.815 0.282 -2.453 1.00 0.69 H new ATOM 868 N GLU A 61 10.700 0.041 1.558 1.00 0.49 N ATOM 869 CA GLU A 61 10.927 0.706 2.830 1.00 0.60 C ATOM 870 C GLU A 61 12.168 1.598 2.792 1.00 0.58 C ATOM 871 O GLU A 61 12.205 2.652 3.426 1.00 0.71 O ATOM 872 CB GLU A 61 11.067 -0.352 3.925 1.00 0.83 C ATOM 873 CG GLU A 61 12.100 -1.417 3.595 1.00 0.73 C ATOM 874 CD GLU A 61 12.370 -2.367 4.736 1.00 1.47 C ATOM 875 OE1 GLU A 61 11.776 -3.463 4.752 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.198 -2.029 5.608 1.00 1.82 O ATOM 0 H GLU A 61 10.884 -0.962 1.581 1.00 0.49 H new ATOM 0 HA GLU A 61 10.074 1.352 3.040 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.342 0.136 4.860 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.100 -0.829 4.087 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.759 -1.987 2.731 1.00 0.73 H new ATOM 0 HG3 GLU A 61 13.033 -0.931 3.309 1.00 0.73 H new ATOM 883 N ASP A 62 13.177 1.174 2.040 1.00 0.54 N ATOM 884 CA ASP A 62 14.431 1.915 1.963 1.00 0.60 C ATOM 885 C ASP A 62 14.404 2.905 0.811 1.00 0.51 C ATOM 886 O ASP A 62 15.139 3.894 0.808 1.00 0.65 O ATOM 887 CB ASP A 62 15.624 0.968 1.785 1.00 0.75 C ATOM 888 CG ASP A 62 15.822 0.035 2.961 1.00 1.16 C ATOM 889 OD1 ASP A 62 16.181 0.518 4.058 1.00 1.22 O ATOM 890 OD2 ASP A 62 15.639 -1.185 2.791 1.00 1.98 O ATOM 0 H ASP A 62 13.152 0.324 1.477 1.00 0.54 H new ATOM 0 HA ASP A 62 14.545 2.457 2.902 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.480 0.377 0.880 1.00 0.75 H new ATOM 0 HB3 ASP A 62 16.529 1.557 1.640 1.00 0.75 H new ATOM 895 N GLU A 63 13.556 2.635 -0.170 1.00 0.40 N ATOM 896 CA GLU A 63 13.488 3.461 -1.360 1.00 0.40 C ATOM 897 C GLU A 63 12.822 4.797 -1.063 1.00 0.34 C ATOM 898 O GLU A 63 13.270 5.847 -1.531 1.00 0.42 O ATOM 899 CB GLU A 63 12.723 2.734 -2.465 1.00 0.43 C ATOM 900 CG GLU A 63 12.792 3.434 -3.808 1.00 0.64 C ATOM 901 CD GLU A 63 14.217 3.602 -4.310 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.919 4.507 -3.826 1.00 2.09 O ATOM 903 OE2 GLU A 63 14.641 2.828 -5.200 1.00 1.68 O ATOM 0 H GLU A 63 12.906 1.849 -0.163 1.00 0.40 H new ATOM 0 HA GLU A 63 14.507 3.653 -1.695 1.00 0.40 H new ATOM 0 HB2 GLU A 63 13.122 1.725 -2.569 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.679 2.635 -2.169 1.00 0.43 H new ATOM 0 HG2 GLU A 63 12.218 2.865 -4.540 1.00 0.64 H new ATOM 0 HG3 GLU A 63 12.322 4.414 -3.727 1.00 0.64 H new ATOM 910 N CYS A 64 11.772 4.769 -0.265 1.00 0.29 N ATOM 911 CA CYS A 64 11.008 5.971 0.002 1.00 0.32 C ATOM 912 C CYS A 64 11.268 6.475 1.418 1.00 0.40 C ATOM 913 O CYS A 64 11.680 5.715 2.294 1.00 0.60 O ATOM 914 CB CYS A 64 9.517 5.699 -0.215 1.00 0.33 C ATOM 915 SG CYS A 64 8.752 4.614 1.031 1.00 0.47 S ATOM 0 H CYS A 64 11.430 3.932 0.207 1.00 0.29 H new ATOM 0 HA CYS A 64 11.326 6.750 -0.691 1.00 0.32 H new ATOM 0 HB2 CYS A 64 8.986 6.651 -0.224 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.383 5.250 -1.199 1.00 0.33 H new ATOM 920 N LYS A 65 11.040 7.764 1.634 1.00 0.43 N ATOM 921 CA LYS A 65 11.188 8.355 2.955 1.00 0.51 C ATOM 922 C LYS A 65 9.810 8.452 3.589 1.00 0.45 C ATOM 923 O LYS A 65 9.347 9.517 3.994 1.00 0.60 O ATOM 924 CB LYS A 65 11.859 9.732 2.853 1.00 0.69 C ATOM 925 CG LYS A 65 12.263 10.329 4.193 1.00 1.41 C ATOM 926 CD LYS A 65 13.279 9.452 4.909 1.00 1.33 C ATOM 927 CE LYS A 65 14.605 9.394 4.167 1.00 1.77 C ATOM 928 NZ LYS A 65 15.573 8.488 4.840 1.00 2.32 N ATOM 0 H LYS A 65 10.751 8.420 0.909 1.00 0.43 H new ATOM 0 HA LYS A 65 11.829 7.733 3.580 1.00 0.51 H new ATOM 0 HB2 LYS A 65 12.745 9.646 2.224 1.00 0.69 H new ATOM 0 HB3 LYS A 65 11.178 10.420 2.352 1.00 0.69 H new ATOM 0 HG2 LYS A 65 12.683 11.323 4.038 1.00 1.41 H new ATOM 0 HG3 LYS A 65 11.380 10.451 4.820 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.444 9.836 5.916 1.00 1.33 H new ATOM 0 HD3 LYS A 65 12.878 8.444 5.014 1.00 1.33 H new ATOM 0 HE2 LYS A 65 14.436 9.052 3.146 1.00 1.77 H new ATOM 0 HE3 LYS A 65 15.029 10.396 4.101 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.465 8.474 4.305 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 15.753 8.829 5.806 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.179 7.527 4.880 1.00 2.32 H new ATOM 942 N ASN A 66 9.164 7.306 3.651 1.00 0.35 N ATOM 943 CA ASN A 66 7.777 7.199 4.063 1.00 0.30 C ATOM 944 C ASN A 66 7.618 5.984 4.959 1.00 0.29 C ATOM 945 O ASN A 66 8.608 5.391 5.391 1.00 0.41 O ATOM 946 CB ASN A 66 6.894 7.028 2.826 1.00 0.36 C ATOM 947 CG ASN A 66 6.880 8.237 1.907 1.00 0.59 C ATOM 948 OD1 ASN A 66 7.766 8.403 1.066 1.00 1.06 O ATOM 949 ND2 ASN A 66 5.848 9.057 2.021 1.00 1.02 N ATOM 0 H ASN A 66 9.591 6.411 3.414 1.00 0.35 H new ATOM 0 HA ASN A 66 7.483 8.099 4.603 1.00 0.30 H new ATOM 0 HB2 ASN A 66 7.238 6.160 2.263 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.874 6.816 3.146 1.00 0.36 H new ATOM 0 HD21 ASN A 66 5.765 9.861 1.399 1.00 1.02 H new ATOM 0 HD22 ASN A 66 5.136 8.885 2.730 1.00 1.02 H new ATOM 956 N THR A 67 6.382 5.608 5.235 1.00 0.28 N ATOM 957 CA THR A 67 6.120 4.391 5.963 1.00 0.27 C ATOM 958 C THR A 67 5.621 3.309 5.013 1.00 0.25 C ATOM 959 O THR A 67 4.661 3.515 4.267 1.00 0.26 O ATOM 960 CB THR A 67 5.092 4.612 7.085 1.00 0.29 C ATOM 961 OG1 THR A 67 5.493 5.725 7.895 1.00 0.34 O ATOM 962 CG2 THR A 67 4.978 3.365 7.946 1.00 0.31 C ATOM 0 H THR A 67 5.549 6.130 4.964 1.00 0.28 H new ATOM 0 HA THR A 67 7.056 4.072 6.421 1.00 0.27 H new ATOM 0 HB THR A 67 4.120 4.821 6.638 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.835 5.865 8.608 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.247 3.534 8.737 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.658 2.525 7.329 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.948 3.140 8.390 1.00 0.31 H new ATOM 970 N PRO A 68 6.280 2.148 5.025 1.00 0.28 N ATOM 971 CA PRO A 68 5.916 1.033 4.171 1.00 0.30 C ATOM 972 C PRO A 68 4.703 0.301 4.719 1.00 0.25 C ATOM 973 O PRO A 68 4.652 -0.049 5.901 1.00 0.28 O ATOM 974 CB PRO A 68 7.157 0.141 4.192 1.00 0.38 C ATOM 975 CG PRO A 68 7.872 0.467 5.462 1.00 0.45 C ATOM 976 CD PRO A 68 7.413 1.832 5.907 1.00 0.38 C ATOM 0 HA PRO A 68 5.640 1.344 3.163 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.881 -0.913 4.158 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.791 0.333 3.326 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.653 -0.278 6.227 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.951 0.458 5.307 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.111 1.827 6.954 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.210 2.570 5.809 1.00 0.38 H new ATOM 984 N THR A 69 3.714 0.089 3.877 1.00 0.23 N ATOM 985 CA THR A 69 2.482 -0.524 4.321 1.00 0.21 C ATOM 986 C THR A 69 2.083 -1.689 3.426 1.00 0.23 C ATOM 987 O THR A 69 2.413 -1.722 2.240 1.00 0.29 O ATOM 988 CB THR A 69 1.335 0.503 4.360 1.00 0.24 C ATOM 989 OG1 THR A 69 1.204 1.137 3.087 1.00 0.31 O ATOM 990 CG2 THR A 69 1.571 1.563 5.427 1.00 0.30 C ATOM 0 H THR A 69 3.739 0.331 2.886 1.00 0.23 H new ATOM 0 HA THR A 69 2.661 -0.901 5.328 1.00 0.21 H new ATOM 0 HB THR A 69 0.419 -0.034 4.605 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.060 1.097 2.612 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.742 2.271 5.426 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.640 1.086 6.405 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.500 2.092 5.215 1.00 0.30 H new ATOM 998 N CYS A 70 1.395 -2.649 4.020 1.00 0.23 N ATOM 999 CA CYS A 70 0.825 -3.766 3.286 1.00 0.27 C ATOM 1000 C CYS A 70 -0.651 -3.484 3.037 1.00 0.22 C ATOM 1001 O CYS A 70 -1.486 -3.664 3.927 1.00 0.27 O ATOM 1002 CB CYS A 70 0.992 -5.057 4.094 1.00 0.38 C ATOM 1003 SG CYS A 70 0.336 -6.556 3.290 1.00 1.26 S ATOM 0 H CYS A 70 1.216 -2.676 5.024 1.00 0.23 H new ATOM 0 HA CYS A 70 1.338 -3.888 2.332 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.052 -5.206 4.298 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.497 -4.932 5.057 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.966 -3.014 1.843 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.330 -2.641 1.512 1.00 0.19 C ATOM 1010 C CYS A 71 -3.108 -3.845 1.014 1.00 0.21 C ATOM 1011 O CYS A 71 -2.576 -4.693 0.299 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.347 -1.547 0.443 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.356 -0.079 0.862 1.00 0.29 S ATOM 0 H CYS A 71 -0.295 -2.881 1.086 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.801 -2.261 2.418 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.979 -1.965 -0.494 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.378 -1.238 0.271 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.366 -3.919 1.413 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.273 -4.928 0.912 1.00 0.24 C ATOM 1020 C GLU A 72 -5.478 -4.716 -0.580 1.00 0.25 C ATOM 1021 O GLU A 72 -5.403 -5.653 -1.374 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.602 -4.819 1.653 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.068 -6.116 2.270 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.348 -5.951 3.058 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.379 -5.585 2.458 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.340 -6.206 4.275 1.00 1.37 O ATOM 0 H GLU A 72 -4.783 -3.282 2.091 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.858 -5.923 1.075 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.509 -4.068 2.437 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -7.365 -4.463 0.960 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.221 -6.855 1.484 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -6.288 -6.505 2.925 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.693 -3.455 -0.936 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.877 -3.029 -2.321 1.00 0.24 C ATOM 1035 C ASP A 73 -5.404 -1.595 -2.456 1.00 0.22 C ATOM 1036 O ASP A 73 -5.149 -0.938 -1.453 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.338 -3.121 -2.742 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.822 -4.546 -2.879 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.862 -4.878 -2.271 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -7.171 -5.331 -3.598 1.00 1.03 O ATOM 0 H ASP A 73 -5.745 -2.689 -0.264 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.298 -3.688 -2.968 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.955 -2.602 -2.009 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.470 -2.605 -3.693 1.00 0.29 H new ATOM 1045 N VAL A 74 -5.260 -1.115 -3.683 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.866 0.272 -3.913 1.00 0.30 C ATOM 1047 C VAL A 74 -5.606 0.816 -5.135 1.00 0.43 C ATOM 1048 O VAL A 74 -6.111 0.045 -5.956 1.00 0.68 O ATOM 1049 CB VAL A 74 -3.330 0.432 -4.124 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.878 1.826 -3.731 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.538 -0.606 -3.344 1.00 1.07 C ATOM 0 H VAL A 74 -5.409 -1.660 -4.532 1.00 0.28 H new ATOM 0 HA VAL A 74 -5.132 0.837 -3.020 1.00 0.30 H new ATOM 0 HB VAL A 74 -3.135 0.276 -5.185 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.803 1.917 -3.886 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -3.397 2.563 -4.344 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -3.109 2.001 -2.680 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.472 -0.458 -3.520 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.748 -0.500 -2.280 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.825 -1.605 -3.673 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.712 2.136 -5.226 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.311 2.786 -6.383 1.00 0.46 C ATOM 1063 C GLU A 75 -5.302 3.736 -7.029 1.00 0.50 C ATOM 1064 O GLU A 75 -4.362 4.193 -6.367 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.583 3.541 -5.977 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.277 4.234 -7.139 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.648 4.767 -6.786 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -9.722 5.833 -6.136 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.658 4.119 -7.127 1.00 1.85 O ATOM 0 H GLU A 75 -5.388 2.781 -4.505 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.588 2.023 -7.111 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.279 2.841 -5.514 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.329 4.284 -5.221 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -7.653 5.057 -7.487 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -8.370 3.533 -7.968 1.00 0.98 H new ATOM 1076 N ASP A 76 -5.500 4.014 -8.319 1.00 0.61 N ATOM 1077 CA ASP A 76 -4.596 4.867 -9.093 1.00 0.65 C ATOM 1078 C ASP A 76 -3.257 4.172 -9.262 1.00 0.67 C ATOM 1079 O ASP A 76 -3.193 2.944 -9.308 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.410 6.248 -8.437 1.00 0.61 C ATOM 1081 CG ASP A 76 -5.664 7.097 -8.483 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -5.949 7.808 -7.495 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.367 7.067 -9.515 1.00 1.15 O ATOM 0 H ASP A 76 -6.290 3.655 -8.856 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.044 5.034 -10.073 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.106 6.113 -7.399 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -3.600 6.777 -8.940 1.00 0.61 H new ATOM 1088 N ASP A 77 -2.192 4.945 -9.364 1.00 0.70 N ATOM 1089 CA ASP A 77 -0.847 4.382 -9.409 1.00 0.77 C ATOM 1090 C ASP A 77 -0.420 3.956 -8.007 1.00 0.67 C ATOM 1091 O ASP A 77 0.686 3.453 -7.800 1.00 0.81 O ATOM 1092 CB ASP A 77 0.149 5.398 -9.971 1.00 0.89 C ATOM 1093 CG ASP A 77 0.338 6.589 -9.057 1.00 1.36 C ATOM 1094 OD1 ASP A 77 -0.660 7.275 -8.762 1.00 1.59 O ATOM 1095 OD2 ASP A 77 1.489 6.855 -8.647 1.00 2.12 O ATOM 0 H ASP A 77 -2.227 5.963 -9.417 1.00 0.70 H new ATOM 0 HA ASP A 77 -0.857 3.512 -10.066 1.00 0.77 H new ATOM 0 HB2 ASP A 77 1.110 4.910 -10.130 1.00 0.89 H new ATOM 0 HB3 ASP A 77 -0.199 5.743 -10.945 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.321 4.149 -7.052 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.049 3.781 -5.684 1.00 0.44 C ATOM 1102 C GLY A 78 -1.140 4.956 -4.732 1.00 0.33 C ATOM 1103 O GLY A 78 -0.519 4.949 -3.674 1.00 0.35 O ATOM 0 H GLY A 78 -2.242 4.558 -7.207 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.755 3.011 -5.372 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.052 3.344 -5.621 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.898 5.981 -5.114 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.053 7.165 -4.273 1.00 0.22 C ATOM 1109 C LEU A 79 -3.062 6.935 -3.154 1.00 0.19 C ATOM 1110 O LEU A 79 -3.011 7.596 -2.121 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.505 8.370 -5.094 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.540 8.825 -6.188 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.119 10.009 -6.945 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.187 9.181 -5.595 1.00 0.94 C ATOM 0 H LEU A 79 -2.411 6.016 -5.995 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.074 7.363 -3.837 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.463 8.133 -5.556 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.676 9.206 -4.415 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.400 8.001 -6.888 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.420 10.322 -7.721 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.065 9.720 -7.403 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -2.288 10.835 -6.254 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.486 9.502 -6.390 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.307 9.989 -4.873 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.233 8.308 -5.096 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.987 6.020 -3.368 1.00 0.19 N ATOM 1127 CA VAL A 80 -5.027 5.758 -2.386 1.00 0.20 C ATOM 1128 C VAL A 80 -5.050 4.282 -2.033 1.00 0.20 C ATOM 1129 O VAL A 80 -5.466 3.450 -2.839 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.415 6.197 -2.903 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.493 5.923 -1.864 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.398 7.672 -3.284 1.00 0.33 C ATOM 0 H VAL A 80 -4.042 5.446 -4.209 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.799 6.341 -1.494 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.649 5.612 -3.793 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.461 6.241 -2.252 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.523 4.856 -1.643 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.268 6.476 -0.952 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.383 7.966 -3.646 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.139 8.270 -2.410 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.659 7.837 -4.068 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.588 3.961 -0.836 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.459 2.575 -0.450 1.00 0.21 C ATOM 1144 C GLY A 81 -5.570 2.113 0.462 1.00 0.20 C ATOM 1145 O GLY A 81 -6.059 2.869 1.305 1.00 0.26 O ATOM 0 H GLY A 81 -4.301 4.635 -0.126 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.449 1.953 -1.345 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.501 2.430 0.050 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.964 0.863 0.289 1.00 0.18 N ATOM 1150 CA ILE A 82 -7.021 0.265 1.073 1.00 0.17 C ATOM 1151 C ILE A 82 -6.429 -0.600 2.172 1.00 0.17 C ATOM 1152 O ILE A 82 -5.711 -1.563 1.895 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.966 -0.594 0.190 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -9.003 0.282 -0.521 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.656 -1.677 1.009 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.413 1.249 -1.522 1.00 0.30 C ATOM 0 H ILE A 82 -5.555 0.235 -0.403 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.605 1.073 1.514 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.352 -1.082 -0.567 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.718 -0.363 -1.033 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.561 0.846 0.227 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.311 -2.261 0.362 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.906 -2.332 1.452 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.246 -1.214 1.800 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.213 1.831 -1.981 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.721 1.921 -1.015 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.880 0.694 -2.294 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.714 -0.229 3.414 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.319 -1.023 4.576 1.00 0.21 C ATOM 1170 C ASN A 83 -4.807 -1.204 4.630 1.00 0.22 C ATOM 1171 O ASN A 83 -4.308 -2.298 4.886 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.025 -2.386 4.556 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.508 -2.273 4.852 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.939 -1.374 5.574 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.302 -3.175 4.294 1.00 0.29 N ATOM 0 H ASN A 83 -7.222 0.625 3.646 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.624 -0.485 5.473 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.886 -2.850 3.579 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.560 -3.044 5.290 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.308 -3.139 4.457 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.907 -3.905 3.701 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.088 -0.123 4.381 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.635 -0.158 4.372 1.00 0.23 C ATOM 1184 C CYS A 84 -2.081 -0.151 5.791 1.00 0.25 C ATOM 1185 O CYS A 84 -1.965 0.898 6.425 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.090 1.032 3.584 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.669 1.100 1.862 1.00 0.81 S ATOM 0 H CYS A 84 -4.489 0.794 4.182 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.316 -1.082 3.889 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.377 1.953 4.091 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.001 0.991 3.590 1.00 0.26 H new ATOM 1192 N THR A 85 -1.762 -1.335 6.289 1.00 0.25 N ATOM 1193 CA THR A 85 -1.183 -1.480 7.614 1.00 0.28 C ATOM 1194 C THR A 85 0.340 -1.375 7.539 1.00 0.24 C ATOM 1195 O THR A 85 0.969 -2.028 6.704 1.00 0.23 O ATOM 1196 CB THR A 85 -1.579 -2.837 8.227 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.999 -3.013 8.133 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.152 -2.931 9.685 1.00 0.44 C ATOM 0 H THR A 85 -1.896 -2.215 5.791 1.00 0.25 H new ATOM 0 HA THR A 85 -1.566 -0.679 8.247 1.00 0.28 H new ATOM 0 HB THR A 85 -1.068 -3.622 7.669 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.248 -3.877 8.522 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.446 -3.900 10.088 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.070 -2.822 9.755 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.634 -2.138 10.257 1.00 0.44 H new ATOM 1206 N PRO A 86 0.946 -0.529 8.393 1.00 0.26 N ATOM 1207 CA PRO A 86 2.402 -0.344 8.437 1.00 0.28 C ATOM 1208 C PRO A 86 3.133 -1.633 8.785 1.00 0.33 C ATOM 1209 O PRO A 86 3.005 -2.154 9.897 1.00 0.39 O ATOM 1210 CB PRO A 86 2.598 0.702 9.543 1.00 0.37 C ATOM 1211 CG PRO A 86 1.278 1.379 9.661 1.00 0.35 C ATOM 1212 CD PRO A 86 0.263 0.319 9.385 1.00 0.29 C ATOM 0 HA PRO A 86 2.805 -0.038 7.472 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.888 0.234 10.484 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.385 1.410 9.283 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.142 1.804 10.655 1.00 0.35 H new ATOM 0 HG3 PRO A 86 1.192 2.200 8.949 1.00 0.35 H new ATOM 0 HD2 PRO A 86 0.004 -0.238 10.285 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.663 0.737 8.992 1.00 0.29 H new ATOM 1220 N ILE A 87 3.896 -2.142 7.829 1.00 0.37 N ATOM 1221 CA ILE A 87 4.621 -3.380 8.005 1.00 0.47 C ATOM 1222 C ILE A 87 5.927 -3.141 8.742 1.00 0.57 C ATOM 1223 O ILE A 87 6.620 -2.154 8.485 1.00 0.56 O ATOM 1224 CB ILE A 87 4.915 -4.058 6.655 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.385 -3.034 5.616 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.688 -4.807 6.171 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.846 -3.648 4.311 1.00 0.49 C ATOM 0 H ILE A 87 4.026 -1.707 6.916 1.00 0.37 H new ATOM 0 HA ILE A 87 3.988 -4.041 8.597 1.00 0.47 H new ATOM 0 HB ILE A 87 5.724 -4.775 6.795 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.570 -2.339 5.411 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.202 -2.451 6.040 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.906 -5.283 5.215 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.415 -5.568 6.902 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.860 -4.108 6.048 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.162 -2.859 3.629 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.683 -4.320 4.501 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.025 -4.208 3.862 1.00 0.49 H new ATOM 1239 N PRO A 88 6.278 -4.038 9.673 1.00 0.73 N ATOM 1240 CA PRO A 88 7.493 -3.927 10.464 1.00 0.86 C ATOM 1241 C PRO A 88 8.727 -4.184 9.626 1.00 0.92 C ATOM 1242 O PRO A 88 8.728 -5.036 8.735 1.00 0.96 O ATOM 1243 CB PRO A 88 7.343 -5.022 11.527 1.00 1.05 C ATOM 1244 CG PRO A 88 5.917 -5.419 11.462 1.00 1.04 C ATOM 1245 CD PRO A 88 5.545 -5.252 10.026 1.00 0.85 C ATOM 0 HA PRO A 88 7.616 -2.929 10.884 1.00 0.86 H new ATOM 0 HB2 PRO A 88 7.999 -5.867 11.319 1.00 1.05 H new ATOM 0 HB3 PRO A 88 7.606 -4.651 12.518 1.00 1.05 H new ATOM 0 HG2 PRO A 88 5.777 -6.449 11.791 1.00 1.04 H new ATOM 0 HG3 PRO A 88 5.301 -4.792 12.107 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.851 -6.106 9.421 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.470 -5.135 9.892 1.00 0.85 H new ATOM 1253 N LEU A 89 9.775 -3.457 9.936 1.00 1.01 N ATOM 1254 CA LEU A 89 11.030 -3.570 9.222 1.00 1.13 C ATOM 1255 C LEU A 89 11.920 -4.585 9.919 1.00 1.31 C ATOM 1256 O LEU A 89 13.147 -4.447 9.942 1.00 1.45 O ATOM 1257 CB LEU A 89 11.720 -2.207 9.189 1.00 1.16 C ATOM 1258 CG LEU A 89 10.834 -1.043 8.740 1.00 1.10 C ATOM 1259 CD1 LEU A 89 11.627 0.252 8.711 1.00 1.23 C ATOM 1260 CD2 LEU A 89 10.225 -1.326 7.378 1.00 1.13 C ATOM 0 H LEU A 89 9.784 -2.770 10.690 1.00 1.01 H new ATOM 0 HA LEU A 89 10.842 -3.901 8.201 1.00 1.13 H new ATOM 0 HB2 LEU A 89 12.105 -1.987 10.185 1.00 1.16 H new ATOM 0 HB3 LEU A 89 12.579 -2.268 8.521 1.00 1.16 H new ATOM 0 HG LEU A 89 10.024 -0.934 9.461 1.00 1.10 H new ATOM 0 HD11 LEU A 89 10.980 1.068 8.389 1.00 1.23 H new ATOM 0 HD12 LEU A 89 12.012 0.466 9.708 1.00 1.23 H new ATOM 0 HD13 LEU A 89 12.460 0.153 8.015 1.00 1.23 H new ATOM 0 HD21 LEU A 89 9.599 -0.486 7.078 1.00 1.13 H new ATOM 0 HD22 LEU A 89 11.020 -1.466 6.646 1.00 1.13 H new ATOM 0 HD23 LEU A 89 9.618 -2.230 7.431 1.00 1.13 H new ATOM 1272 N ILE A 90 11.293 -5.594 10.506 1.00 1.37 N ATOM 1273 CA ILE A 90 12.000 -6.561 11.317 1.00 1.60 C ATOM 1274 C ILE A 90 11.549 -7.981 10.993 1.00 1.73 C ATOM 1275 O ILE A 90 10.383 -8.326 11.274 1.00 2.31 O ATOM 1276 CB ILE A 90 11.813 -6.258 12.821 1.00 1.67 C ATOM 1277 CG1 ILE A 90 10.327 -6.079 13.167 1.00 1.60 C ATOM 1278 CG2 ILE A 90 12.609 -5.016 13.207 1.00 1.68 C ATOM 1279 CD1 ILE A 90 10.072 -5.775 14.627 1.00 1.78 C ATOM 1280 OXT ILE A 90 12.366 -8.749 10.442 1.00 1.86 O ATOM 0 H ILE A 90 10.289 -5.760 10.432 1.00 1.37 H new ATOM 0 HA ILE A 90 13.062 -6.483 11.083 1.00 1.60 H new ATOM 0 HB ILE A 90 12.188 -7.107 13.393 1.00 1.67 H new ATOM 0 HG12 ILE A 90 9.917 -5.271 12.560 1.00 1.60 H new ATOM 0 HG13 ILE A 90 9.788 -6.987 12.895 1.00 1.60 H new ATOM 0 HG21 ILE A 90 12.471 -4.811 14.269 1.00 1.68 H new ATOM 0 HG22 ILE A 90 13.667 -5.184 13.005 1.00 1.68 H new ATOM 0 HG23 ILE A 90 12.259 -4.164 12.624 1.00 1.68 H new ATOM 0 HD11 ILE A 90 9.001 -5.662 14.793 1.00 1.78 H new ATOM 0 HD12 ILE A 90 10.450 -6.593 15.240 1.00 1.78 H new ATOM 0 HD13 ILE A 90 10.581 -4.851 14.900 1.00 1.78 H new TER 1292 ILE A 90