USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 Single : A 6 SER OG : rot 140:sc= -0.635 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0028 USER MOD Single : A 10 SER OG : rot -148:sc= 0.0579 USER MOD Single : A 12 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.5!) USER MOD Single : A 13 THR OG1 : rot 169:sc= 1.24 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.05) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00086 USER MOD Single : A 22 ASN : amide:sc= -0.931 K(o=-0.93,f=-0.0027) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.046 (180deg=-0.29) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= 1.29 (180deg=1.11) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0156) USER MOD Single : A 28 SER OG : rot -130:sc= 0.3 USER MOD Single : A 29 THR OG1 : rot 91:sc= 0.0653 USER MOD Single : A 44 GLN : amide:sc= -0.411 K(o=-0.41,f=-1.2) USER MOD Single : A 48 GLN : amide:sc= -0.829 K(o=-0.83,f=-2.6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.219 K(o=-0.22,f=-2!) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -0.0429 (180deg=-0.237) USER MOD Single : A 66 ASN : amide:sc=-0.00735 X(o=-0.0073,f=-0.0073) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -39:sc= -0.555 USER MOD Single : A 83 ASN : amide:sc= 2.06 K(o=2.1,f=-6.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 7.187 -5.750 -5.319 1.00 0.81 N ATOM 29 CA TRP A 4 7.939 -5.494 -4.104 1.00 0.60 C ATOM 30 C TRP A 4 8.288 -6.802 -3.412 1.00 0.62 C ATOM 31 O TRP A 4 7.475 -7.730 -3.378 1.00 0.74 O ATOM 32 CB TRP A 4 7.130 -4.609 -3.156 1.00 0.45 C ATOM 33 CG TRP A 4 6.861 -3.242 -3.698 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.659 -2.744 -4.101 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.819 -2.199 -3.910 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.804 -1.447 -4.527 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.122 -1.092 -4.426 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.197 -2.093 -3.705 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.757 0.105 -4.740 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.826 -0.905 -4.020 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.107 0.180 -4.532 1.00 0.52 C ATOM 0 HA TRP A 4 8.861 -4.978 -4.373 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.180 -5.098 -2.938 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.666 -4.517 -2.211 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.727 -3.290 -4.087 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.052 -0.846 -4.864 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.760 -2.925 -3.308 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.204 0.945 -5.134 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.891 -0.812 -3.868 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.628 1.096 -4.768 1.00 0.52 H new ATOM 52 N GLU A 5 9.501 -6.883 -2.885 1.00 0.66 N ATOM 53 CA GLU A 5 9.916 -8.043 -2.119 1.00 0.73 C ATOM 54 C GLU A 5 9.089 -8.162 -0.846 1.00 0.67 C ATOM 55 O GLU A 5 9.242 -7.375 0.084 1.00 0.78 O ATOM 56 CB GLU A 5 11.405 -7.972 -1.762 1.00 0.96 C ATOM 57 CG GLU A 5 12.337 -8.118 -2.952 1.00 1.49 C ATOM 58 CD GLU A 5 13.729 -8.555 -2.541 1.00 2.14 C ATOM 59 OE1 GLU A 5 14.115 -9.705 -2.835 1.00 2.65 O ATOM 60 OE2 GLU A 5 14.450 -7.737 -1.928 1.00 2.73 O ATOM 0 H GLU A 5 10.213 -6.158 -2.975 1.00 0.66 H new ATOM 0 HA GLU A 5 9.753 -8.924 -2.740 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.605 -7.019 -1.273 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.632 -8.755 -1.039 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.921 -8.845 -3.649 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.398 -7.167 -3.482 1.00 1.49 H new ATOM 67 N SER A 6 8.218 -9.156 -0.812 1.00 0.74 N ATOM 68 CA SER A 6 7.382 -9.409 0.348 1.00 0.87 C ATOM 69 C SER A 6 8.026 -10.483 1.220 1.00 0.88 C ATOM 70 O SER A 6 7.351 -11.210 1.946 1.00 0.90 O ATOM 71 CB SER A 6 5.985 -9.843 -0.104 1.00 1.16 C ATOM 72 OG SER A 6 5.451 -8.921 -1.041 1.00 1.75 O ATOM 0 H SER A 6 8.071 -9.807 -1.583 1.00 0.74 H new ATOM 0 HA SER A 6 7.286 -8.496 0.935 1.00 0.87 H new ATOM 0 HB2 SER A 6 6.034 -10.836 -0.551 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.324 -9.915 0.760 1.00 1.16 H new ATOM 0 HG SER A 6 4.980 -9.409 -1.749 1.00 1.75 H new ATOM 78 N LYS A 7 9.345 -10.566 1.136 1.00 0.95 N ATOM 79 CA LYS A 7 10.108 -11.584 1.843 1.00 1.09 C ATOM 80 C LYS A 7 10.268 -11.240 3.322 1.00 1.03 C ATOM 81 O LYS A 7 10.809 -12.029 4.092 1.00 1.09 O ATOM 82 CB LYS A 7 11.480 -11.755 1.172 1.00 1.37 C ATOM 83 CG LYS A 7 12.296 -10.469 1.076 1.00 1.65 C ATOM 84 CD LYS A 7 13.144 -10.226 2.315 1.00 2.11 C ATOM 85 CE LYS A 7 14.292 -11.217 2.405 1.00 2.79 C ATOM 86 NZ LYS A 7 15.148 -10.972 3.596 1.00 3.24 N ATOM 0 H LYS A 7 9.916 -9.931 0.577 1.00 0.95 H new ATOM 0 HA LYS A 7 9.561 -12.525 1.789 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.054 -12.495 1.729 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.334 -12.154 0.168 1.00 1.37 H new ATOM 0 HG2 LYS A 7 12.943 -10.517 0.200 1.00 1.65 H new ATOM 0 HG3 LYS A 7 11.622 -9.625 0.929 1.00 1.65 H new ATOM 0 HD2 LYS A 7 13.539 -9.210 2.294 1.00 2.11 H new ATOM 0 HD3 LYS A 7 12.521 -10.307 3.206 1.00 2.11 H new ATOM 0 HE2 LYS A 7 13.893 -12.231 2.448 1.00 2.79 H new ATOM 0 HE3 LYS A 7 14.899 -11.151 1.502 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 15.919 -11.670 3.619 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 15.550 -10.014 3.544 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 14.575 -11.060 4.459 1.00 3.24 H new ATOM 100 N THR A 8 9.800 -10.060 3.711 1.00 1.01 N ATOM 101 CA THR A 8 9.931 -9.603 5.086 1.00 1.08 C ATOM 102 C THR A 8 9.078 -10.447 6.038 1.00 0.93 C ATOM 103 O THR A 8 9.433 -10.649 7.201 1.00 1.03 O ATOM 104 CB THR A 8 9.521 -8.123 5.208 1.00 1.25 C ATOM 105 OG1 THR A 8 10.024 -7.393 4.082 1.00 2.05 O ATOM 106 CG2 THR A 8 10.059 -7.509 6.493 1.00 1.66 C ATOM 0 H THR A 8 9.326 -9.403 3.092 1.00 1.01 H new ATOM 0 HA THR A 8 10.979 -9.713 5.366 1.00 1.08 H new ATOM 0 HB THR A 8 8.433 -8.069 5.231 1.00 1.25 H new ATOM 0 HG1 THR A 8 9.762 -6.452 4.159 1.00 2.05 H new ATOM 0 HG21 THR A 8 9.754 -6.464 6.552 1.00 1.66 H new ATOM 0 HG22 THR A 8 9.661 -8.052 7.350 1.00 1.66 H new ATOM 0 HG23 THR A 8 11.147 -7.570 6.498 1.00 1.66 H new ATOM 114 N GLY A 9 7.961 -10.957 5.524 1.00 0.79 N ATOM 115 CA GLY A 9 7.085 -11.786 6.328 1.00 0.79 C ATOM 116 C GLY A 9 6.054 -10.974 7.083 1.00 0.69 C ATOM 117 O GLY A 9 5.439 -11.465 8.029 1.00 0.88 O ATOM 0 H GLY A 9 7.649 -10.809 4.564 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.577 -12.504 5.684 1.00 0.79 H new ATOM 0 HA3 GLY A 9 7.682 -12.360 7.037 1.00 0.79 H new ATOM 121 N SER A 10 5.865 -9.731 6.664 1.00 0.61 N ATOM 122 CA SER A 10 4.967 -8.820 7.357 1.00 0.73 C ATOM 123 C SER A 10 3.630 -8.675 6.629 1.00 0.64 C ATOM 124 O SER A 10 2.648 -8.219 7.212 1.00 0.73 O ATOM 125 CB SER A 10 5.631 -7.447 7.489 1.00 0.96 C ATOM 126 OG SER A 10 6.926 -7.555 8.062 1.00 1.72 O ATOM 0 H SER A 10 6.323 -9.330 5.846 1.00 0.61 H new ATOM 0 HA SER A 10 4.766 -9.237 8.344 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.703 -6.979 6.507 1.00 0.96 H new ATOM 0 HB3 SER A 10 5.010 -6.798 8.107 1.00 0.96 H new ATOM 0 HG SER A 10 7.119 -6.751 8.589 1.00 1.72 H new ATOM 132 N CYS A 11 3.584 -9.072 5.364 1.00 0.52 N ATOM 133 CA CYS A 11 2.415 -8.801 4.538 1.00 0.44 C ATOM 134 C CYS A 11 1.944 -10.055 3.808 1.00 0.41 C ATOM 135 O CYS A 11 2.757 -10.865 3.363 1.00 0.43 O ATOM 136 CB CYS A 11 2.775 -7.706 3.535 1.00 0.41 C ATOM 137 SG CYS A 11 3.805 -6.397 4.260 1.00 1.19 S ATOM 0 H CYS A 11 4.334 -9.577 4.892 1.00 0.52 H new ATOM 0 HA CYS A 11 1.595 -8.473 5.177 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.302 -8.152 2.692 1.00 0.41 H new ATOM 0 HB3 CYS A 11 1.859 -7.265 3.141 1.00 0.41 H new ATOM 142 N ASN A 12 0.627 -10.214 3.706 1.00 0.46 N ATOM 143 CA ASN A 12 0.038 -11.354 3.004 1.00 0.53 C ATOM 144 C ASN A 12 -0.294 -11.027 1.551 1.00 0.47 C ATOM 145 O ASN A 12 -0.309 -11.912 0.700 1.00 0.57 O ATOM 146 CB ASN A 12 -1.223 -11.866 3.720 1.00 0.69 C ATOM 147 CG ASN A 12 -2.320 -10.827 3.833 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.156 -10.692 2.940 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.348 -10.111 4.944 1.00 1.03 N ATOM 0 H ASN A 12 -0.055 -9.567 4.101 1.00 0.46 H new ATOM 0 HA ASN A 12 0.793 -12.140 3.012 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.609 -12.733 3.183 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.951 -12.205 4.719 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -3.081 -9.416 5.085 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.636 -10.253 5.661 1.00 1.03 H new ATOM 156 N THR A 13 -0.576 -9.762 1.269 1.00 0.38 N ATOM 157 CA THR A 13 -1.083 -9.378 -0.042 1.00 0.37 C ATOM 158 C THR A 13 0.035 -9.104 -1.042 1.00 0.35 C ATOM 159 O THR A 13 -0.117 -9.336 -2.241 1.00 0.44 O ATOM 160 CB THR A 13 -1.977 -8.133 0.070 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.266 -7.087 0.751 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.257 -8.464 0.820 1.00 0.52 C ATOM 0 H THR A 13 -0.463 -8.989 1.925 1.00 0.38 H new ATOM 0 HA THR A 13 -1.664 -10.223 -0.411 1.00 0.37 H new ATOM 0 HB THR A 13 -2.240 -7.797 -0.933 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.764 -6.247 0.670 1.00 0.43 H new ATOM 0 HG21 THR A 13 -3.879 -7.571 0.890 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.800 -9.243 0.286 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.011 -8.815 1.822 1.00 0.52 H new ATOM 170 N GLY A 14 1.164 -8.623 -0.545 1.00 0.29 N ATOM 171 CA GLY A 14 2.282 -8.328 -1.414 1.00 0.31 C ATOM 172 C GLY A 14 2.206 -6.936 -2.013 1.00 0.30 C ATOM 173 O GLY A 14 3.029 -6.575 -2.857 1.00 0.43 O ATOM 0 H GLY A 14 1.325 -8.432 0.444 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.210 -8.427 -0.851 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.316 -9.064 -2.218 1.00 0.31 H new ATOM 177 N LYS A 15 1.220 -6.153 -1.583 1.00 0.24 N ATOM 178 CA LYS A 15 1.089 -4.771 -2.033 1.00 0.25 C ATOM 179 C LYS A 15 1.769 -3.834 -1.046 1.00 0.24 C ATOM 180 O LYS A 15 1.137 -3.334 -0.118 1.00 0.25 O ATOM 181 CB LYS A 15 -0.385 -4.369 -2.170 1.00 0.31 C ATOM 182 CG LYS A 15 -1.111 -4.999 -3.347 1.00 0.41 C ATOM 183 CD LYS A 15 -2.537 -4.472 -3.445 1.00 0.57 C ATOM 184 CE LYS A 15 -3.224 -4.909 -4.728 1.00 0.69 C ATOM 185 NZ LYS A 15 -3.280 -6.387 -4.859 1.00 1.64 N ATOM 0 H LYS A 15 0.501 -6.452 -0.924 1.00 0.24 H new ATOM 0 HA LYS A 15 1.566 -4.693 -3.010 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -0.907 -4.639 -1.252 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.444 -3.285 -2.263 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.574 -4.782 -4.270 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.126 -6.083 -3.234 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.112 -4.824 -2.589 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.524 -3.383 -3.394 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -4.236 -4.505 -4.752 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -2.694 -4.490 -5.583 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -3.989 -6.645 -5.575 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -2.348 -6.745 -5.149 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -3.543 -6.807 -3.944 1.00 1.64 H new ATOM 199 N LEU A 16 3.052 -3.600 -1.246 1.00 0.26 N ATOM 200 CA LEU A 16 3.810 -2.729 -0.370 1.00 0.30 C ATOM 201 C LEU A 16 3.840 -1.315 -0.929 1.00 0.33 C ATOM 202 O LEU A 16 4.246 -1.095 -2.066 1.00 0.55 O ATOM 203 CB LEU A 16 5.237 -3.260 -0.186 1.00 0.35 C ATOM 204 CG LEU A 16 5.378 -4.500 0.706 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.633 -5.675 0.120 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.843 -4.844 0.920 1.00 0.43 C ATOM 0 H LEU A 16 3.593 -4.003 -2.011 1.00 0.26 H new ATOM 0 HA LEU A 16 3.322 -2.709 0.604 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.647 -3.494 -1.169 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.850 -2.462 0.233 1.00 0.35 H new ATOM 0 HG LEU A 16 4.935 -4.270 1.675 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.749 -6.541 0.772 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.575 -5.427 0.031 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.036 -5.906 -0.866 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.921 -5.726 1.555 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.313 -5.047 -0.042 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.347 -4.006 1.401 1.00 0.43 H new ATOM 218 N ALA A 17 3.390 -0.365 -0.136 1.00 0.27 N ATOM 219 CA ALA A 17 3.409 1.030 -0.532 1.00 0.27 C ATOM 220 C ALA A 17 3.823 1.891 0.641 1.00 0.24 C ATOM 221 O ALA A 17 3.480 1.603 1.785 1.00 0.28 O ATOM 222 CB ALA A 17 2.042 1.471 -1.042 1.00 0.29 C ATOM 0 H ALA A 17 3.004 -0.534 0.793 1.00 0.27 H new ATOM 0 HA ALA A 17 4.130 1.147 -1.341 1.00 0.27 H new ATOM 0 HB1 ALA A 17 2.083 2.521 -1.332 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.763 0.866 -1.905 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.300 1.342 -0.254 1.00 0.29 H new ATOM 228 N CYS A 18 4.589 2.925 0.368 1.00 0.26 N ATOM 229 CA CYS A 18 4.904 3.901 1.391 1.00 0.26 C ATOM 230 C CYS A 18 3.745 4.874 1.530 1.00 0.24 C ATOM 231 O CYS A 18 3.384 5.562 0.576 1.00 0.32 O ATOM 232 CB CYS A 18 6.200 4.629 1.053 1.00 0.36 C ATOM 233 SG CYS A 18 7.639 3.517 0.931 1.00 0.74 S ATOM 0 H CYS A 18 5.003 3.112 -0.545 1.00 0.26 H new ATOM 0 HA CYS A 18 5.052 3.395 2.345 1.00 0.26 H new ATOM 0 HB2 CYS A 18 6.076 5.157 0.108 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.395 5.383 1.816 1.00 0.36 H new ATOM 238 N CYS A 19 3.143 4.914 2.708 1.00 0.21 N ATOM 239 CA CYS A 19 1.940 5.703 2.904 1.00 0.21 C ATOM 240 C CYS A 19 2.082 6.630 4.094 1.00 0.23 C ATOM 241 O CYS A 19 2.972 6.458 4.931 1.00 0.30 O ATOM 242 CB CYS A 19 0.724 4.793 3.112 1.00 0.23 C ATOM 243 SG CYS A 19 -0.739 5.292 2.152 1.00 0.50 S ATOM 0 H CYS A 19 3.465 4.413 3.536 1.00 0.21 H new ATOM 0 HA CYS A 19 1.793 6.303 2.006 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.995 3.773 2.840 1.00 0.23 H new ATOM 0 HB3 CYS A 19 0.466 4.783 4.171 1.00 0.23 H new ATOM 248 N ASP A 20 1.209 7.622 4.155 1.00 0.23 N ATOM 249 CA ASP A 20 1.111 8.475 5.318 1.00 0.28 C ATOM 250 C ASP A 20 -0.141 8.110 6.070 1.00 0.28 C ATOM 251 O ASP A 20 -1.251 8.430 5.651 1.00 0.34 O ATOM 252 CB ASP A 20 1.083 9.955 4.948 1.00 0.37 C ATOM 253 CG ASP A 20 2.441 10.483 4.538 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.668 10.689 3.330 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.290 10.699 5.432 1.00 1.33 O ATOM 0 H ASP A 20 0.557 7.854 3.406 1.00 0.23 H new ATOM 0 HA ASP A 20 1.995 8.320 5.937 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.377 10.107 4.131 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.716 10.530 5.798 1.00 0.37 H new ATOM 260 N THR A 21 0.042 7.436 7.181 1.00 0.31 N ATOM 261 CA THR A 21 -1.068 6.901 7.942 1.00 0.36 C ATOM 262 C THR A 21 -1.781 8.002 8.721 1.00 0.42 C ATOM 263 O THR A 21 -2.730 7.750 9.462 1.00 0.52 O ATOM 264 CB THR A 21 -0.579 5.793 8.886 1.00 0.41 C ATOM 265 OG1 THR A 21 0.469 6.297 9.721 1.00 0.41 O ATOM 266 CG2 THR A 21 -0.068 4.600 8.085 1.00 0.43 C ATOM 0 H THR A 21 0.959 7.242 7.583 1.00 0.31 H new ATOM 0 HA THR A 21 -1.786 6.471 7.244 1.00 0.36 H new ATOM 0 HB THR A 21 -1.414 5.468 9.507 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.777 5.588 10.323 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.275 3.823 8.768 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.873 4.207 7.464 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.760 4.916 7.450 1.00 0.43 H new ATOM 274 N ASN A 22 -1.315 9.231 8.535 1.00 0.43 N ATOM 275 CA ASN A 22 -1.953 10.398 9.110 1.00 0.56 C ATOM 276 C ASN A 22 -2.705 11.141 8.018 1.00 0.50 C ATOM 277 O ASN A 22 -3.389 12.132 8.271 1.00 0.63 O ATOM 278 CB ASN A 22 -0.916 11.324 9.750 1.00 0.70 C ATOM 279 CG ASN A 22 -0.151 10.671 10.889 1.00 1.35 C ATOM 280 OD1 ASN A 22 1.012 10.996 11.132 1.00 1.87 O ATOM 281 ND2 ASN A 22 -0.795 9.760 11.604 1.00 2.20 N ATOM 0 H ASN A 22 -0.485 9.442 7.981 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.647 10.077 9.887 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.210 11.650 8.987 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.417 12.217 10.123 1.00 0.70 H new ATOM 0 HD21 ASN A 22 -0.328 9.302 12.386 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -1.758 9.517 11.372 1.00 2.20 H new ATOM 288 N LYS A 23 -2.575 10.640 6.797 1.00 0.40 N ATOM 289 CA LYS A 23 -3.201 11.248 5.637 1.00 0.39 C ATOM 290 C LYS A 23 -4.271 10.339 5.073 1.00 0.32 C ATOM 291 O LYS A 23 -3.979 9.369 4.381 1.00 0.39 O ATOM 292 CB LYS A 23 -2.155 11.543 4.564 1.00 0.47 C ATOM 293 CG LYS A 23 -1.151 12.608 4.964 1.00 0.95 C ATOM 294 CD LYS A 23 -0.309 13.049 3.784 1.00 1.53 C ATOM 295 CE LYS A 23 -1.121 13.911 2.834 1.00 1.84 C ATOM 296 NZ LYS A 23 -1.448 15.235 3.427 1.00 2.60 N ATOM 0 H LYS A 23 -2.033 9.802 6.586 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.664 12.184 5.950 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.620 10.623 4.328 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.662 11.859 3.652 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -1.677 13.468 5.378 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.503 12.221 5.750 1.00 0.95 H new ATOM 0 HD2 LYS A 23 0.557 13.607 4.138 1.00 1.53 H new ATOM 0 HD3 LYS A 23 0.070 12.175 3.255 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -0.563 14.056 1.909 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -2.044 13.393 2.572 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 -1.740 15.890 2.674 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -2.224 15.127 4.111 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 -0.610 15.615 3.911 1.00 2.60 H new ATOM 310 N LYS A 24 -5.509 10.671 5.366 1.00 0.49 N ATOM 311 CA LYS A 24 -6.635 9.844 4.985 1.00 0.49 C ATOM 312 C LYS A 24 -7.258 10.343 3.689 1.00 0.45 C ATOM 313 O LYS A 24 -7.066 11.493 3.296 1.00 0.48 O ATOM 314 CB LYS A 24 -7.687 9.848 6.094 1.00 0.61 C ATOM 315 CG LYS A 24 -7.262 9.144 7.382 1.00 0.91 C ATOM 316 CD LYS A 24 -6.265 9.963 8.193 1.00 1.32 C ATOM 317 CE LYS A 24 -6.885 11.253 8.714 1.00 1.88 C ATOM 318 NZ LYS A 24 -5.892 12.106 9.417 1.00 2.17 N ATOM 0 H LYS A 24 -5.764 11.518 5.873 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.274 8.827 4.830 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.943 10.881 6.329 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.593 9.372 5.718 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -8.144 8.944 7.991 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.819 8.179 7.136 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.903 9.369 9.032 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -5.400 10.200 7.574 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -7.316 11.810 7.882 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -7.702 11.013 9.394 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -6.248 13.082 9.470 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -5.739 11.740 10.379 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -4.993 12.094 8.895 1.00 2.17 H new ATOM 332 N VAL A 25 -7.999 9.467 3.035 1.00 0.46 N ATOM 333 CA VAL A 25 -8.700 9.804 1.808 1.00 0.50 C ATOM 334 C VAL A 25 -10.199 9.603 2.022 1.00 0.56 C ATOM 335 O VAL A 25 -10.611 8.753 2.812 1.00 0.57 O ATOM 336 CB VAL A 25 -8.220 8.934 0.622 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.790 9.434 -0.697 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.698 8.886 0.560 1.00 0.44 C ATOM 0 H VAL A 25 -8.132 8.502 3.339 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.488 10.845 1.563 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.589 7.922 0.788 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.434 8.802 -1.510 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.879 9.398 -0.660 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.466 10.461 -0.867 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.387 8.268 -0.282 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.307 9.896 0.433 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.309 8.460 1.485 1.00 0.44 H new ATOM 348 N GLN A 26 -11.008 10.389 1.326 1.00 0.66 N ATOM 349 CA GLN A 26 -12.443 10.416 1.562 1.00 0.78 C ATOM 350 C GLN A 26 -13.172 9.309 0.802 1.00 0.75 C ATOM 351 O GLN A 26 -14.351 9.060 1.044 1.00 0.87 O ATOM 352 CB GLN A 26 -12.999 11.778 1.158 1.00 0.97 C ATOM 353 CG GLN A 26 -12.964 12.029 -0.337 1.00 1.71 C ATOM 354 CD GLN A 26 -13.338 13.449 -0.699 1.00 2.23 C ATOM 355 OE1 GLN A 26 -14.506 13.756 -0.928 1.00 2.62 O ATOM 356 NE2 GLN A 26 -12.349 14.324 -0.752 1.00 2.83 N ATOM 0 H GLN A 26 -10.692 11.020 0.589 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.610 10.244 2.625 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -14.028 11.859 1.508 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -12.429 12.558 1.662 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -11.964 11.813 -0.714 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -13.647 11.340 -0.833 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -11.394 14.026 -0.555 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -12.541 15.297 -0.990 1.00 2.83 H new ATOM 365 N LYS A 27 -12.480 8.654 -0.121 1.00 0.96 N ATOM 366 CA LYS A 27 -13.087 7.584 -0.903 1.00 1.06 C ATOM 367 C LYS A 27 -12.334 6.278 -0.696 1.00 0.94 C ATOM 368 O LYS A 27 -11.109 6.236 -0.802 1.00 1.56 O ATOM 369 CB LYS A 27 -13.112 7.942 -2.396 1.00 1.81 C ATOM 370 CG LYS A 27 -13.863 9.231 -2.724 1.00 2.36 C ATOM 371 CD LYS A 27 -15.313 9.203 -2.258 1.00 2.79 C ATOM 372 CE LYS A 27 -16.093 8.101 -2.944 1.00 3.33 C ATOM 373 NZ LYS A 27 -16.354 8.409 -4.374 1.00 4.07 N ATOM 0 H LYS A 27 -11.503 8.843 -0.346 1.00 0.96 H new ATOM 0 HA LYS A 27 -14.114 7.459 -0.559 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -12.086 8.033 -2.752 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -13.569 7.120 -2.947 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -13.352 10.073 -2.257 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -13.835 9.399 -3.801 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -15.347 9.057 -1.178 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -15.782 10.165 -2.464 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -15.539 7.165 -2.870 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -17.041 7.952 -2.427 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -16.962 7.671 -4.783 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -16.831 9.330 -4.449 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -15.453 8.442 -4.892 1.00 4.07 H new ATOM 387 N SER A 28 -13.073 5.220 -0.401 1.00 0.83 N ATOM 388 CA SER A 28 -12.480 3.914 -0.152 1.00 1.35 C ATOM 389 C SER A 28 -12.616 3.004 -1.371 1.00 1.17 C ATOM 390 O SER A 28 -12.763 1.787 -1.243 1.00 1.46 O ATOM 391 CB SER A 28 -13.147 3.263 1.059 1.00 2.09 C ATOM 392 OG SER A 28 -13.061 4.099 2.204 1.00 2.46 O ATOM 0 H SER A 28 -14.090 5.240 -0.328 1.00 0.83 H new ATOM 0 HA SER A 28 -11.418 4.056 0.049 1.00 1.35 H new ATOM 0 HB2 SER A 28 -14.193 3.057 0.834 1.00 2.09 H new ATOM 0 HB3 SER A 28 -12.671 2.305 1.268 1.00 2.09 H new ATOM 0 HG SER A 28 -12.716 3.582 2.961 1.00 2.46 H new ATOM 398 N THR A 29 -12.577 3.598 -2.552 1.00 1.02 N ATOM 399 CA THR A 29 -12.655 2.835 -3.784 1.00 1.07 C ATOM 400 C THR A 29 -11.270 2.354 -4.194 1.00 1.17 C ATOM 401 O THR A 29 -10.269 3.005 -3.887 1.00 2.00 O ATOM 402 CB THR A 29 -13.283 3.662 -4.923 1.00 1.24 C ATOM 403 OG1 THR A 29 -12.611 4.923 -5.049 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.764 3.896 -4.668 1.00 1.64 C ATOM 0 H THR A 29 -12.492 4.606 -2.683 1.00 1.02 H new ATOM 0 HA THR A 29 -13.297 1.973 -3.600 1.00 1.07 H new ATOM 0 HB THR A 29 -13.172 3.100 -5.850 1.00 1.24 H new ATOM 0 HG1 THR A 29 -11.876 4.839 -5.692 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.186 4.482 -5.485 1.00 1.64 H new ATOM 0 HG22 THR A 29 -15.278 2.937 -4.606 1.00 1.64 H new ATOM 0 HG23 THR A 29 -14.891 4.437 -3.730 1.00 1.64 H new ATOM 412 N GLY A 30 -11.215 1.217 -4.868 1.00 0.96 N ATOM 413 CA GLY A 30 -9.942 0.654 -5.269 1.00 1.02 C ATOM 414 C GLY A 30 -10.054 -0.161 -6.539 1.00 1.05 C ATOM 415 O GLY A 30 -11.119 -0.203 -7.162 1.00 1.39 O ATOM 0 H GLY A 30 -12.031 0.672 -5.146 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.221 1.458 -5.417 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -9.556 0.024 -4.467 1.00 1.02 H new ATOM 419 N GLU A 31 -8.969 -0.818 -6.918 1.00 1.00 N ATOM 420 CA GLU A 31 -8.938 -1.579 -8.157 1.00 1.18 C ATOM 421 C GLU A 31 -9.355 -3.026 -7.931 1.00 0.94 C ATOM 422 O GLU A 31 -10.232 -3.538 -8.626 1.00 1.04 O ATOM 423 CB GLU A 31 -7.545 -1.536 -8.783 1.00 1.63 C ATOM 424 CG GLU A 31 -7.068 -0.134 -9.122 1.00 2.14 C ATOM 425 CD GLU A 31 -5.743 -0.142 -9.850 1.00 2.60 C ATOM 426 OE1 GLU A 31 -4.716 -0.488 -9.228 1.00 2.90 O ATOM 427 OE2 GLU A 31 -5.720 0.188 -11.056 1.00 3.06 O ATOM 0 H GLU A 31 -8.099 -0.840 -6.386 1.00 1.00 H new ATOM 0 HA GLU A 31 -9.651 -1.118 -8.840 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -6.834 -1.995 -8.096 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -7.546 -2.139 -9.691 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -7.817 0.363 -9.739 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -6.973 0.447 -8.205 1.00 2.14 H new ATOM 434 N GLU A 32 -8.748 -3.685 -6.952 1.00 0.85 N ATOM 435 CA GLU A 32 -9.014 -5.095 -6.729 1.00 1.01 C ATOM 436 C GLU A 32 -10.084 -5.318 -5.667 1.00 1.08 C ATOM 437 O GLU A 32 -10.569 -6.435 -5.514 1.00 1.36 O ATOM 438 CB GLU A 32 -7.734 -5.857 -6.379 1.00 1.26 C ATOM 439 CG GLU A 32 -6.816 -6.066 -7.575 1.00 1.66 C ATOM 440 CD GLU A 32 -5.743 -7.104 -7.321 1.00 1.90 C ATOM 441 OE1 GLU A 32 -6.058 -8.315 -7.348 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.575 -6.722 -7.109 1.00 2.44 O ATOM 0 H GLU A 32 -8.076 -3.269 -6.308 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.400 -5.492 -7.668 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.194 -5.311 -5.605 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.999 -6.827 -5.959 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.412 -6.370 -8.435 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -6.344 -5.118 -7.834 1.00 1.66 H new ATOM 603 N GLN A 44 -13.180 -0.338 4.921 1.00 0.64 N ATOM 604 CA GLN A 44 -11.819 -0.210 4.408 1.00 0.45 C ATOM 605 C GLN A 44 -11.278 1.201 4.619 1.00 0.42 C ATOM 606 O GLN A 44 -11.961 2.193 4.344 1.00 0.57 O ATOM 607 CB GLN A 44 -11.757 -0.539 2.922 1.00 0.42 C ATOM 608 CG GLN A 44 -12.569 -1.756 2.521 1.00 0.57 C ATOM 609 CD GLN A 44 -12.192 -2.274 1.150 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.345 -3.155 1.022 1.00 1.40 O ATOM 611 NE2 GLN A 44 -12.809 -1.729 0.114 1.00 1.18 N ATOM 0 HA GLN A 44 -11.206 -0.920 4.963 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.110 0.323 2.355 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.717 -0.701 2.640 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.423 -2.546 3.258 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.629 -1.502 2.532 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -13.507 -1.000 0.262 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.587 -2.038 -0.832 1.00 1.18 H new ATOM 620 N VAL A 45 -10.049 1.278 5.087 1.00 0.33 N ATOM 621 CA VAL A 45 -9.427 2.550 5.415 1.00 0.36 C ATOM 622 C VAL A 45 -8.474 2.973 4.313 1.00 0.27 C ATOM 623 O VAL A 45 -7.475 2.310 4.050 1.00 0.33 O ATOM 624 CB VAL A 45 -8.668 2.480 6.757 1.00 0.48 C ATOM 625 CG1 VAL A 45 -8.000 3.811 7.076 1.00 1.19 C ATOM 626 CG2 VAL A 45 -9.614 2.076 7.878 1.00 1.37 C ATOM 0 H VAL A 45 -9.453 0.466 5.251 1.00 0.33 H new ATOM 0 HA VAL A 45 -10.223 3.288 5.510 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.888 1.724 6.668 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -7.472 3.735 8.027 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.291 4.061 6.286 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -8.758 4.591 7.144 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -9.065 2.031 8.819 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -10.415 2.810 7.960 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -10.040 1.097 7.659 1.00 1.37 H new ATOM 636 N ALA A 46 -8.804 4.072 3.669 1.00 0.24 N ATOM 637 CA ALA A 46 -8.005 4.585 2.572 1.00 0.21 C ATOM 638 C ALA A 46 -7.114 5.722 3.036 1.00 0.20 C ATOM 639 O ALA A 46 -7.600 6.753 3.506 1.00 0.30 O ATOM 640 CB ALA A 46 -8.908 5.055 1.446 1.00 0.29 C ATOM 0 H ALA A 46 -9.627 4.633 3.887 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.368 3.780 2.207 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.299 5.438 0.627 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.510 4.219 1.090 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.564 5.845 1.811 1.00 0.29 H new ATOM 646 N ILE A 47 -5.811 5.524 2.919 1.00 0.21 N ATOM 647 CA ILE A 47 -4.860 6.580 3.202 1.00 0.21 C ATOM 648 C ILE A 47 -4.095 6.943 1.940 1.00 0.20 C ATOM 649 O ILE A 47 -3.964 6.131 1.019 1.00 0.21 O ATOM 650 CB ILE A 47 -3.872 6.220 4.339 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.232 4.846 4.124 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.570 6.284 5.687 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.274 4.456 5.229 1.00 0.23 C ATOM 0 H ILE A 47 -5.390 4.641 2.630 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.436 7.438 3.548 1.00 0.21 H new ATOM 0 HB ILE A 47 -3.069 6.957 4.324 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -4.017 4.094 4.050 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.700 4.845 3.173 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.862 6.028 6.476 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.949 7.292 5.853 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.400 5.577 5.701 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.855 3.472 5.017 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.469 5.189 5.288 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.807 4.426 6.179 1.00 0.23 H new ATOM 665 N GLN A 48 -3.629 8.177 1.889 1.00 0.24 N ATOM 666 CA GLN A 48 -2.964 8.702 0.710 1.00 0.25 C ATOM 667 C GLN A 48 -1.507 8.302 0.715 1.00 0.22 C ATOM 668 O GLN A 48 -0.697 8.804 1.500 1.00 0.36 O ATOM 669 CB GLN A 48 -3.111 10.221 0.665 1.00 0.36 C ATOM 670 CG GLN A 48 -3.172 10.776 -0.745 1.00 0.47 C ATOM 671 CD GLN A 48 -4.529 11.348 -1.096 1.00 1.43 C ATOM 672 OE1 GLN A 48 -5.248 11.853 -0.234 1.00 2.38 O ATOM 673 NE2 GLN A 48 -4.888 11.272 -2.366 1.00 1.78 N ATOM 0 H GLN A 48 -3.700 8.841 2.660 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.430 8.284 -0.182 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -4.016 10.508 1.200 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -2.272 10.676 1.191 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.416 11.553 -0.857 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.923 9.985 -1.452 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -4.261 10.845 -3.048 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -5.792 11.640 -2.663 1.00 1.78 H new ATOM 682 N CYS A 49 -1.197 7.394 -0.180 1.00 0.26 N ATOM 683 CA CYS A 49 0.117 6.818 -0.276 1.00 0.25 C ATOM 684 C CYS A 49 0.990 7.635 -1.208 1.00 0.28 C ATOM 685 O CYS A 49 0.494 8.471 -1.965 1.00 0.32 O ATOM 686 CB CYS A 49 0.008 5.383 -0.782 1.00 0.25 C ATOM 687 SG CYS A 49 -0.631 4.200 0.447 1.00 1.15 S ATOM 0 H CYS A 49 -1.859 7.033 -0.867 1.00 0.26 H new ATOM 0 HA CYS A 49 0.577 6.819 0.712 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.643 5.367 -1.656 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.993 5.051 -1.111 1.00 0.25 H new ATOM 692 N THR A 50 2.286 7.391 -1.156 1.00 0.28 N ATOM 693 CA THR A 50 3.218 8.107 -1.998 1.00 0.36 C ATOM 694 C THR A 50 4.524 7.344 -2.123 1.00 0.38 C ATOM 695 O THR A 50 5.238 7.107 -1.145 1.00 0.45 O ATOM 696 CB THR A 50 3.463 9.551 -1.499 1.00 0.46 C ATOM 697 OG1 THR A 50 4.402 10.220 -2.350 1.00 0.60 O ATOM 698 CG2 THR A 50 3.962 9.564 -0.064 1.00 0.54 C ATOM 0 H THR A 50 2.715 6.702 -0.538 1.00 0.28 H new ATOM 0 HA THR A 50 2.768 8.185 -2.988 1.00 0.36 H new ATOM 0 HB THR A 50 2.510 10.079 -1.531 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.546 11.133 -2.024 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.124 10.593 0.256 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.221 9.096 0.583 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.900 9.012 0.000 1.00 0.54 H new ATOM 706 N GLN A 51 4.820 6.947 -3.340 1.00 0.39 N ATOM 707 CA GLN A 51 5.959 6.109 -3.605 1.00 0.42 C ATOM 708 C GLN A 51 6.923 6.799 -4.551 1.00 0.42 C ATOM 709 O GLN A 51 6.518 7.356 -5.572 1.00 0.58 O ATOM 710 CB GLN A 51 5.484 4.791 -4.206 1.00 0.57 C ATOM 711 CG GLN A 51 6.578 3.740 -4.303 1.00 0.66 C ATOM 712 CD GLN A 51 7.151 3.373 -2.948 1.00 1.01 C ATOM 713 OE1 GLN A 51 6.454 3.432 -1.937 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.420 2.984 -2.919 1.00 0.74 N ATOM 0 H GLN A 51 4.279 7.196 -4.168 1.00 0.39 H new ATOM 0 HA GLN A 51 6.484 5.915 -2.670 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.667 4.399 -3.601 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.082 4.979 -5.202 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.177 2.845 -4.779 1.00 0.66 H new ATOM 0 HG3 GLN A 51 7.378 4.111 -4.944 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.963 2.949 -3.782 1.00 0.74 H new ATOM 0 HE22 GLN A 51 8.852 2.720 -2.034 1.00 0.74 H new ATOM 723 N ILE A 52 8.189 6.788 -4.187 1.00 0.43 N ATOM 724 CA ILE A 52 9.238 7.254 -5.069 1.00 0.50 C ATOM 725 C ILE A 52 9.402 6.257 -6.217 1.00 0.56 C ATOM 726 O ILE A 52 9.403 5.048 -5.982 1.00 0.65 O ATOM 727 CB ILE A 52 10.563 7.422 -4.291 1.00 0.63 C ATOM 728 CG1 ILE A 52 10.445 8.595 -3.313 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.742 7.622 -5.234 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.712 8.875 -2.534 1.00 0.95 C ATOM 0 H ILE A 52 8.517 6.459 -3.279 1.00 0.43 H new ATOM 0 HA ILE A 52 8.968 8.228 -5.477 1.00 0.50 H new ATOM 0 HB ILE A 52 10.749 6.507 -3.729 1.00 0.63 H new ATOM 0 HG12 ILE A 52 10.166 9.491 -3.868 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.637 8.390 -2.611 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.657 7.737 -4.653 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.834 6.756 -5.890 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.579 8.517 -5.835 1.00 0.85 H new ATOM 0 HD11 ILE A 52 11.548 9.719 -1.864 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.982 7.995 -1.950 1.00 0.95 H new ATOM 0 HD13 ILE A 52 12.520 9.113 -3.226 1.00 0.95 H new ATOM 742 N PRO A 53 9.491 6.765 -7.466 1.00 0.66 N ATOM 743 CA PRO A 53 9.595 5.946 -8.683 1.00 0.80 C ATOM 744 C PRO A 53 10.562 4.779 -8.525 1.00 0.82 C ATOM 745 O PRO A 53 11.783 4.959 -8.514 1.00 0.87 O ATOM 746 CB PRO A 53 10.101 6.932 -9.748 1.00 0.95 C ATOM 747 CG PRO A 53 10.343 8.225 -9.035 1.00 0.85 C ATOM 748 CD PRO A 53 9.505 8.189 -7.793 1.00 0.70 C ATOM 0 HA PRO A 53 8.641 5.484 -8.938 1.00 0.80 H new ATOM 0 HB2 PRO A 53 11.016 6.567 -10.214 1.00 0.95 H new ATOM 0 HB3 PRO A 53 9.366 7.057 -10.544 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.398 8.340 -8.788 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.069 9.072 -9.664 1.00 0.85 H new ATOM 0 HD2 PRO A 53 9.940 8.786 -6.992 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.501 8.575 -7.969 1.00 0.70 H new ATOM 756 N LEU A 54 9.995 3.586 -8.425 1.00 0.90 N ATOM 757 CA LEU A 54 10.739 2.395 -8.049 1.00 0.96 C ATOM 758 C LEU A 54 11.765 1.981 -9.099 1.00 0.90 C ATOM 759 O LEU A 54 11.535 2.099 -10.306 1.00 1.03 O ATOM 760 CB LEU A 54 9.765 1.242 -7.758 1.00 1.27 C ATOM 761 CG LEU A 54 8.784 0.879 -8.883 1.00 1.07 C ATOM 762 CD1 LEU A 54 9.399 -0.121 -9.853 1.00 1.67 C ATOM 763 CD2 LEU A 54 7.490 0.329 -8.304 1.00 1.08 C ATOM 0 H LEU A 54 9.005 3.417 -8.603 1.00 0.90 H new ATOM 0 HA LEU A 54 11.302 2.636 -7.147 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.349 0.355 -7.514 1.00 1.27 H new ATOM 0 HB3 LEU A 54 9.187 1.498 -6.870 1.00 1.27 H new ATOM 0 HG LEU A 54 8.561 1.790 -9.438 1.00 1.07 H new ATOM 0 HD11 LEU A 54 8.679 -0.357 -10.637 1.00 1.67 H new ATOM 0 HD12 LEU A 54 10.295 0.310 -10.300 1.00 1.67 H new ATOM 0 HD13 LEU A 54 9.664 -1.032 -9.317 1.00 1.67 H new ATOM 0 HD21 LEU A 54 6.807 0.077 -9.115 1.00 1.08 H new ATOM 0 HD22 LEU A 54 7.704 -0.565 -7.719 1.00 1.08 H new ATOM 0 HD23 LEU A 54 7.030 1.081 -7.662 1.00 1.08 H new ATOM 775 N LEU A 55 12.915 1.549 -8.612 1.00 0.88 N ATOM 776 CA LEU A 55 13.910 0.885 -9.433 1.00 0.96 C ATOM 777 C LEU A 55 13.634 -0.613 -9.422 1.00 0.93 C ATOM 778 O LEU A 55 13.067 -1.136 -8.459 1.00 0.85 O ATOM 779 CB LEU A 55 15.313 1.161 -8.887 1.00 1.08 C ATOM 780 CG LEU A 55 15.697 2.639 -8.780 1.00 1.26 C ATOM 781 CD1 LEU A 55 17.075 2.785 -8.158 1.00 1.52 C ATOM 782 CD2 LEU A 55 15.660 3.304 -10.146 1.00 1.58 C ATOM 0 H LEU A 55 13.185 1.649 -7.634 1.00 0.88 H new ATOM 0 HA LEU A 55 13.856 1.264 -10.453 1.00 0.96 H new ATOM 0 HB2 LEU A 55 15.395 0.709 -7.898 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.039 0.660 -9.528 1.00 1.08 H new ATOM 0 HG LEU A 55 14.970 3.135 -8.137 1.00 1.26 H new ATOM 0 HD11 LEU A 55 17.333 3.842 -8.089 1.00 1.52 H new ATOM 0 HD12 LEU A 55 17.072 2.346 -7.160 1.00 1.52 H new ATOM 0 HD13 LEU A 55 17.810 2.272 -8.778 1.00 1.52 H new ATOM 0 HD21 LEU A 55 15.936 4.354 -10.047 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.363 2.805 -10.813 1.00 1.58 H new ATOM 0 HD23 LEU A 55 14.654 3.231 -10.559 1.00 1.58 H new ATOM 794 N ILE A 56 14.029 -1.309 -10.479 1.00 1.10 N ATOM 795 CA ILE A 56 13.719 -2.726 -10.596 1.00 1.16 C ATOM 796 C ILE A 56 14.529 -3.536 -9.596 1.00 1.07 C ATOM 797 O ILE A 56 15.759 -3.468 -9.569 1.00 1.14 O ATOM 798 CB ILE A 56 14.000 -3.276 -12.003 1.00 1.45 C ATOM 799 CG1 ILE A 56 13.480 -2.316 -13.077 1.00 1.68 C ATOM 800 CG2 ILE A 56 13.363 -4.650 -12.162 1.00 1.58 C ATOM 801 CD1 ILE A 56 13.783 -2.765 -14.493 1.00 2.11 C ATOM 0 H ILE A 56 14.559 -0.921 -11.259 1.00 1.10 H new ATOM 0 HA ILE A 56 12.653 -2.821 -10.392 1.00 1.16 H new ATOM 0 HB ILE A 56 15.079 -3.371 -12.129 1.00 1.45 H new ATOM 0 HG12 ILE A 56 12.402 -2.207 -12.963 1.00 1.68 H new ATOM 0 HG13 ILE A 56 13.919 -1.332 -12.915 1.00 1.68 H new ATOM 0 HG21 ILE A 56 13.567 -5.032 -13.162 1.00 1.58 H new ATOM 0 HG22 ILE A 56 13.780 -5.332 -11.421 1.00 1.58 H new ATOM 0 HG23 ILE A 56 12.286 -4.571 -12.017 1.00 1.58 H new ATOM 0 HD11 ILE A 56 13.385 -2.036 -15.199 1.00 2.11 H new ATOM 0 HD12 ILE A 56 14.862 -2.847 -14.626 1.00 2.11 H new ATOM 0 HD13 ILE A 56 13.321 -3.735 -14.674 1.00 2.11 H new ATOM 813 N GLY A 57 13.826 -4.300 -8.783 1.00 1.03 N ATOM 814 CA GLY A 57 14.468 -5.136 -7.789 1.00 1.00 C ATOM 815 C GLY A 57 14.855 -4.374 -6.536 1.00 0.86 C ATOM 816 O GLY A 57 15.676 -4.844 -5.749 1.00 0.90 O ATOM 0 H GLY A 57 12.808 -4.359 -8.792 1.00 1.03 H new ATOM 0 HA2 GLY A 57 13.797 -5.951 -7.519 1.00 1.00 H new ATOM 0 HA3 GLY A 57 15.360 -5.588 -8.223 1.00 1.00 H new ATOM 820 N ILE A 58 14.276 -3.199 -6.347 1.00 0.77 N ATOM 821 CA ILE A 58 14.582 -2.389 -5.178 1.00 0.66 C ATOM 822 C ILE A 58 13.549 -2.583 -4.077 1.00 0.61 C ATOM 823 O ILE A 58 12.377 -2.863 -4.331 1.00 0.69 O ATOM 824 CB ILE A 58 14.719 -0.890 -5.548 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.195 -0.482 -5.543 1.00 0.72 C ATOM 826 CG2 ILE A 58 13.911 0.010 -4.619 1.00 0.60 C ATOM 827 CD1 ILE A 58 16.846 -0.567 -4.175 1.00 0.71 C ATOM 0 H ILE A 58 13.595 -2.786 -6.984 1.00 0.77 H new ATOM 0 HA ILE A 58 15.544 -2.729 -4.795 1.00 0.66 H new ATOM 0 HB ILE A 58 14.312 -0.760 -6.551 1.00 0.67 H new ATOM 0 HG12 ILE A 58 16.742 -1.121 -6.236 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.282 0.539 -5.914 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.039 1.050 -4.918 1.00 0.60 H new ATOM 0 HG22 ILE A 58 12.856 -0.258 -4.680 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.260 -0.118 -3.594 1.00 0.60 H new ATOM 0 HD11 ILE A 58 17.890 -0.263 -4.249 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.324 0.093 -3.482 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.792 -1.592 -3.809 1.00 0.71 H new ATOM 839 N ALA A 59 14.026 -2.445 -2.855 1.00 0.57 N ATOM 840 CA ALA A 59 13.215 -2.596 -1.663 1.00 0.59 C ATOM 841 C ALA A 59 12.368 -1.355 -1.407 1.00 0.49 C ATOM 842 O ALA A 59 12.808 -0.232 -1.641 1.00 0.50 O ATOM 843 CB ALA A 59 14.126 -2.847 -0.481 1.00 0.68 C ATOM 0 H ALA A 59 15.002 -2.222 -2.660 1.00 0.57 H new ATOM 0 HA ALA A 59 12.537 -3.438 -1.805 1.00 0.59 H new ATOM 0 HB1 ALA A 59 13.527 -2.962 0.422 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.702 -3.756 -0.653 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.806 -2.004 -0.360 1.00 0.68 H new ATOM 849 N ILE A 60 11.164 -1.578 -0.894 1.00 0.46 N ATOM 850 CA ILE A 60 10.219 -0.505 -0.578 1.00 0.42 C ATOM 851 C ILE A 60 10.857 0.557 0.327 1.00 0.40 C ATOM 852 O ILE A 60 10.715 1.758 0.093 1.00 0.39 O ATOM 853 CB ILE A 60 8.964 -1.097 0.114 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.920 -0.016 0.396 1.00 0.61 C ATOM 855 CG2 ILE A 60 9.343 -1.824 1.400 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.228 0.488 -0.849 1.00 0.69 C ATOM 0 H ILE A 60 10.811 -2.511 -0.683 1.00 0.46 H new ATOM 0 HA ILE A 60 9.932 -0.024 -1.513 1.00 0.42 H new ATOM 0 HB ILE A 60 8.521 -1.819 -0.572 1.00 0.53 H new ATOM 0 HG12 ILE A 60 7.173 -0.413 1.083 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.402 0.822 0.899 1.00 0.61 H new ATOM 0 HG21 ILE A 60 8.445 -2.230 1.866 1.00 0.62 H new ATOM 0 HG22 ILE A 60 10.031 -2.637 1.169 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.823 -1.125 2.085 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.500 1.253 -0.577 1.00 0.69 H new ATOM 0 HD12 ILE A 60 7.966 0.915 -1.528 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.718 -0.339 -1.342 1.00 0.69 H new ATOM 868 N GLU A 61 11.589 0.093 1.330 1.00 0.49 N ATOM 869 CA GLU A 61 12.169 0.960 2.342 1.00 0.60 C ATOM 870 C GLU A 61 13.317 1.785 1.778 1.00 0.58 C ATOM 871 O GLU A 61 13.444 2.973 2.066 1.00 0.71 O ATOM 872 CB GLU A 61 12.677 0.109 3.495 1.00 0.83 C ATOM 873 CG GLU A 61 11.589 -0.593 4.278 1.00 0.73 C ATOM 874 CD GLU A 61 12.165 -1.507 5.331 1.00 1.47 C ATOM 875 OE1 GLU A 61 12.039 -2.738 5.181 1.00 2.20 O ATOM 876 OE2 GLU A 61 12.787 -0.999 6.285 1.00 1.82 O ATOM 0 H GLU A 61 11.797 -0.897 1.464 1.00 0.49 H new ATOM 0 HA GLU A 61 11.397 1.648 2.687 1.00 0.60 H new ATOM 0 HB2 GLU A 61 13.366 -0.639 3.103 1.00 0.83 H new ATOM 0 HB3 GLU A 61 13.247 0.742 4.175 1.00 0.83 H new ATOM 0 HG2 GLU A 61 10.945 0.148 4.751 1.00 0.73 H new ATOM 0 HG3 GLU A 61 10.964 -1.170 3.597 1.00 0.73 H new ATOM 883 N ASP A 62 14.147 1.148 0.966 1.00 0.54 N ATOM 884 CA ASP A 62 15.334 1.797 0.422 1.00 0.60 C ATOM 885 C ASP A 62 14.976 2.693 -0.753 1.00 0.51 C ATOM 886 O ASP A 62 15.812 3.447 -1.251 1.00 0.65 O ATOM 887 CB ASP A 62 16.365 0.753 -0.016 1.00 0.75 C ATOM 888 CG ASP A 62 16.915 -0.047 1.148 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.872 0.425 1.802 1.00 1.22 O ATOM 890 OD2 ASP A 62 16.400 -1.152 1.411 1.00 1.98 O ATOM 0 H ASP A 62 14.022 0.181 0.668 1.00 0.54 H new ATOM 0 HA ASP A 62 15.766 2.414 1.210 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.906 0.074 -0.734 1.00 0.75 H new ATOM 0 HB3 ASP A 62 17.187 1.252 -0.529 1.00 0.75 H new ATOM 895 N GLU A 63 13.730 2.612 -1.194 1.00 0.40 N ATOM 896 CA GLU A 63 13.278 3.409 -2.314 1.00 0.40 C ATOM 897 C GLU A 63 12.676 4.721 -1.835 1.00 0.34 C ATOM 898 O GLU A 63 12.927 5.779 -2.409 1.00 0.42 O ATOM 899 CB GLU A 63 12.240 2.641 -3.129 1.00 0.43 C ATOM 900 CG GLU A 63 11.911 3.302 -4.454 1.00 0.64 C ATOM 901 CD GLU A 63 13.138 3.516 -5.317 1.00 1.40 C ATOM 902 OE1 GLU A 63 13.862 4.517 -5.100 1.00 2.09 O ATOM 903 OE2 GLU A 63 13.393 2.687 -6.210 1.00 1.68 O ATOM 0 H GLU A 63 13.018 2.002 -0.791 1.00 0.40 H new ATOM 0 HA GLU A 63 14.142 3.625 -2.942 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.608 1.632 -3.315 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.327 2.544 -2.542 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.193 2.686 -4.995 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.430 4.262 -4.268 1.00 0.64 H new ATOM 910 N CYS A 64 11.906 4.657 -0.762 1.00 0.29 N ATOM 911 CA CYS A 64 11.150 5.811 -0.320 1.00 0.32 C ATOM 912 C CYS A 64 11.652 6.315 1.027 1.00 0.40 C ATOM 913 O CYS A 64 12.497 5.685 1.663 1.00 0.60 O ATOM 914 CB CYS A 64 9.675 5.448 -0.217 1.00 0.33 C ATOM 915 SG CYS A 64 9.217 4.701 1.381 1.00 0.47 S ATOM 0 H CYS A 64 11.790 3.823 -0.186 1.00 0.29 H new ATOM 0 HA CYS A 64 11.283 6.608 -1.052 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.077 6.346 -0.374 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.424 4.753 -1.019 1.00 0.33 H new ATOM 920 N LYS A 65 11.124 7.452 1.458 1.00 0.43 N ATOM 921 CA LYS A 65 11.474 8.014 2.752 1.00 0.51 C ATOM 922 C LYS A 65 10.202 8.248 3.570 1.00 0.45 C ATOM 923 O LYS A 65 9.972 9.337 4.098 1.00 0.60 O ATOM 924 CB LYS A 65 12.251 9.326 2.564 1.00 0.69 C ATOM 925 CG LYS A 65 12.946 9.827 3.824 1.00 1.41 C ATOM 926 CD LYS A 65 14.076 8.901 4.254 1.00 1.33 C ATOM 927 CE LYS A 65 15.223 8.899 3.252 1.00 1.77 C ATOM 928 NZ LYS A 65 15.852 10.242 3.118 1.00 2.32 N ATOM 0 H LYS A 65 10.450 8.004 0.928 1.00 0.43 H new ATOM 0 HA LYS A 65 12.113 7.314 3.291 1.00 0.51 H new ATOM 0 HB2 LYS A 65 12.998 9.184 1.783 1.00 0.69 H new ATOM 0 HB3 LYS A 65 11.563 10.095 2.212 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.343 10.827 3.647 1.00 1.41 H new ATOM 0 HG3 LYS A 65 12.218 9.911 4.631 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.448 9.212 5.230 1.00 1.33 H new ATOM 0 HD3 LYS A 65 13.691 7.887 4.367 1.00 1.33 H new ATOM 0 HE2 LYS A 65 15.976 8.176 3.565 1.00 1.77 H new ATOM 0 HE3 LYS A 65 14.854 8.573 2.280 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.761 10.152 2.620 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 15.222 10.868 2.577 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 16.014 10.645 4.063 1.00 2.32 H new ATOM 942 N ASN A 66 9.365 7.219 3.646 1.00 0.35 N ATOM 943 CA ASN A 66 8.109 7.298 4.385 1.00 0.30 C ATOM 944 C ASN A 66 7.814 5.972 5.076 1.00 0.29 C ATOM 945 O ASN A 66 8.667 5.086 5.113 1.00 0.41 O ATOM 946 CB ASN A 66 6.944 7.676 3.462 1.00 0.36 C ATOM 947 CG ASN A 66 6.988 9.127 3.031 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.525 10.012 3.747 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.521 9.381 1.848 1.00 1.02 N ATOM 0 H ASN A 66 9.534 6.316 3.203 1.00 0.35 H new ATOM 0 HA ASN A 66 8.216 8.078 5.139 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.964 7.038 2.579 1.00 0.36 H new ATOM 0 HB3 ASN A 66 6.002 7.482 3.974 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.558 10.339 1.501 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.895 8.619 1.283 1.00 1.02 H new ATOM 956 N THR A 67 6.610 5.839 5.618 1.00 0.28 N ATOM 957 CA THR A 67 6.232 4.639 6.346 1.00 0.27 C ATOM 958 C THR A 67 5.850 3.514 5.391 1.00 0.25 C ATOM 959 O THR A 67 5.055 3.709 4.469 1.00 0.26 O ATOM 960 CB THR A 67 5.054 4.915 7.298 1.00 0.29 C ATOM 961 OG1 THR A 67 5.302 6.116 8.038 1.00 0.34 O ATOM 962 CG2 THR A 67 4.861 3.752 8.263 1.00 0.31 C ATOM 0 H THR A 67 5.880 6.549 5.566 1.00 0.28 H new ATOM 0 HA THR A 67 7.100 4.333 6.930 1.00 0.27 H new ATOM 0 HB THR A 67 4.147 5.031 6.704 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.550 6.290 8.642 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.024 3.966 8.928 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.654 2.842 7.700 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.767 3.615 8.853 1.00 0.31 H new ATOM 970 N PRO A 68 6.417 2.324 5.607 1.00 0.28 N ATOM 971 CA PRO A 68 6.114 1.153 4.804 1.00 0.30 C ATOM 972 C PRO A 68 4.793 0.520 5.226 1.00 0.25 C ATOM 973 O PRO A 68 4.615 0.127 6.380 1.00 0.28 O ATOM 974 CB PRO A 68 7.287 0.212 5.081 1.00 0.38 C ATOM 975 CG PRO A 68 7.832 0.619 6.414 1.00 0.45 C ATOM 976 CD PRO A 68 7.389 2.036 6.672 1.00 0.38 C ATOM 0 HA PRO A 68 6.000 1.388 3.746 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.959 -0.828 5.094 1.00 0.38 H new ATOM 0 HB3 PRO A 68 8.048 0.297 4.305 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.466 -0.045 7.197 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.920 0.550 6.420 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.936 2.136 7.659 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.231 2.727 6.636 1.00 0.38 H new ATOM 984 N THR A 69 3.858 0.450 4.298 1.00 0.23 N ATOM 985 CA THR A 69 2.559 -0.125 4.577 1.00 0.21 C ATOM 986 C THR A 69 2.214 -1.162 3.518 1.00 0.23 C ATOM 987 O THR A 69 2.638 -1.047 2.370 1.00 0.29 O ATOM 988 CB THR A 69 1.452 0.959 4.616 1.00 0.24 C ATOM 989 OG1 THR A 69 1.377 1.644 3.361 1.00 0.31 O ATOM 990 CG2 THR A 69 1.702 1.975 5.721 1.00 0.30 C ATOM 0 H THR A 69 3.976 0.786 3.342 1.00 0.23 H new ATOM 0 HA THR A 69 2.609 -0.597 5.558 1.00 0.21 H new ATOM 0 HB THR A 69 0.509 0.449 4.816 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.281 1.782 3.009 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.906 2.719 5.718 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.720 1.467 6.685 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.660 2.467 5.553 1.00 0.30 H new ATOM 998 N CYS A 70 1.472 -2.178 3.904 1.00 0.23 N ATOM 999 CA CYS A 70 1.041 -3.194 2.963 1.00 0.27 C ATOM 1000 C CYS A 70 -0.467 -3.141 2.791 1.00 0.22 C ATOM 1001 O CYS A 70 -1.231 -3.438 3.713 1.00 0.27 O ATOM 1002 CB CYS A 70 1.524 -4.566 3.411 1.00 0.38 C ATOM 1003 SG CYS A 70 3.322 -4.745 3.205 1.00 1.26 S ATOM 0 H CYS A 70 1.154 -2.324 4.862 1.00 0.23 H new ATOM 0 HA CYS A 70 1.486 -2.999 1.987 1.00 0.27 H new ATOM 0 HB2 CYS A 70 1.260 -4.721 4.457 1.00 0.38 H new ATOM 0 HB3 CYS A 70 1.013 -5.338 2.835 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.878 -2.731 1.607 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.273 -2.462 1.316 1.00 0.19 C ATOM 1010 C CYS A 71 -2.992 -3.725 0.882 1.00 0.21 C ATOM 1011 O CYS A 71 -2.389 -4.656 0.347 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.368 -1.403 0.217 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.329 0.060 0.517 1.00 0.29 S ATOM 0 H CYS A 71 -0.252 -2.574 0.817 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.753 -2.095 2.223 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -2.081 -1.852 -0.734 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.406 -1.086 0.119 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.287 -3.750 1.133 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.124 -4.857 0.760 1.00 0.24 C ATOM 1020 C GLU A 72 -5.714 -4.610 -0.634 1.00 0.25 C ATOM 1021 O GLU A 72 -6.089 -5.540 -1.347 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.186 -5.028 1.848 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.451 -5.688 1.387 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.329 -6.093 2.544 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.164 -5.276 2.985 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.201 -7.236 3.012 1.00 1.37 O ATOM 0 H GLU A 72 -4.784 -2.994 1.605 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.561 -5.787 0.690 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -5.762 -5.615 2.663 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.431 -4.047 2.256 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.999 -5.007 0.736 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.205 -6.568 0.793 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.753 -3.338 -1.008 1.00 0.21 N ATOM 1034 CA ASP A 73 -6.090 -2.904 -2.362 1.00 0.24 C ATOM 1035 C ASP A 73 -5.536 -1.500 -2.550 1.00 0.22 C ATOM 1036 O ASP A 73 -5.206 -0.845 -1.565 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.599 -2.911 -2.597 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.958 -2.544 -4.023 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -9.056 -1.993 -4.249 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -7.137 -2.790 -4.922 1.00 1.03 O ATOM 0 H ASP A 73 -5.549 -2.566 -0.373 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.653 -3.595 -3.083 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.996 -3.900 -2.367 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -8.075 -2.209 -1.912 1.00 0.29 H new ATOM 1045 N VAL A 74 -5.382 -1.044 -3.785 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.921 0.322 -4.024 1.00 0.30 C ATOM 1047 C VAL A 74 -5.692 0.961 -5.182 1.00 0.43 C ATOM 1048 O VAL A 74 -6.150 0.274 -6.093 1.00 0.68 O ATOM 1049 CB VAL A 74 -3.394 0.407 -4.311 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.866 1.777 -3.935 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.620 -0.666 -3.565 1.00 1.07 C ATOM 0 H VAL A 74 -5.566 -1.588 -4.628 1.00 0.28 H new ATOM 0 HA VAL A 74 -5.113 0.871 -3.102 1.00 0.30 H new ATOM 0 HB VAL A 74 -3.251 0.242 -5.379 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.797 1.824 -4.140 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -3.382 2.539 -4.520 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -3.040 1.955 -2.874 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.558 -0.573 -3.792 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.774 -0.546 -2.493 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.972 -1.650 -3.874 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.851 2.275 -5.104 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.535 3.066 -6.118 1.00 0.46 C ATOM 1063 C GLU A 75 -5.526 3.962 -6.844 1.00 0.50 C ATOM 1064 O GLU A 75 -4.436 4.231 -6.320 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.619 3.910 -5.437 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.286 4.952 -6.320 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.128 4.356 -7.426 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -8.585 4.098 -8.523 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.344 4.170 -7.210 1.00 1.85 O ATOM 0 H GLU A 75 -5.503 2.830 -4.322 1.00 0.33 H new ATOM 0 HA GLU A 75 -7.001 2.411 -6.855 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.387 3.240 -5.051 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.176 4.416 -4.579 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.914 5.593 -5.701 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -7.518 5.588 -6.761 1.00 0.98 H new ATOM 1076 N ASP A 76 -5.901 4.427 -8.037 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.022 5.234 -8.884 1.00 0.65 C ATOM 1078 C ASP A 76 -3.774 4.444 -9.236 1.00 0.67 C ATOM 1079 O ASP A 76 -3.803 3.217 -9.280 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.621 6.552 -8.197 1.00 0.61 C ATOM 1081 CG ASP A 76 -5.779 7.508 -8.010 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -5.976 7.999 -6.878 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.519 7.749 -8.984 1.00 1.15 O ATOM 0 H ASP A 76 -6.821 4.255 -8.442 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.573 5.481 -9.791 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.184 6.328 -7.224 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -3.847 7.041 -8.789 1.00 0.61 H new ATOM 1088 N ASP A 77 -2.677 5.142 -9.475 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.394 4.487 -9.690 1.00 0.77 C ATOM 1090 C ASP A 77 -0.798 4.041 -8.359 1.00 0.67 C ATOM 1091 O ASP A 77 0.358 3.624 -8.290 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.421 5.424 -10.410 1.00 0.89 C ATOM 1093 CG ASP A 77 -0.835 5.709 -11.837 1.00 1.36 C ATOM 1094 OD1 ASP A 77 -0.229 5.129 -12.764 1.00 1.59 O ATOM 1095 OD2 ASP A 77 -1.777 6.502 -12.040 1.00 2.12 O ATOM 0 H ASP A 77 -2.647 6.160 -9.525 1.00 0.70 H new ATOM 0 HA ASP A 77 -1.560 3.611 -10.317 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -0.354 6.363 -9.861 1.00 0.89 H new ATOM 0 HB3 ASP A 77 0.575 4.980 -10.406 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.600 4.117 -7.305 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.135 3.739 -5.990 1.00 0.44 C ATOM 1102 C GLY A 78 -1.055 4.919 -5.042 1.00 0.33 C ATOM 1103 O GLY A 78 -0.284 4.904 -4.082 1.00 0.35 O ATOM 0 H GLY A 78 -2.568 4.436 -7.341 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.805 2.987 -5.573 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.151 3.278 -6.075 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.835 5.956 -5.322 1.00 0.27 N ATOM 1108 CA LEU A 79 -1.843 7.156 -4.490 1.00 0.22 C ATOM 1109 C LEU A 79 -2.830 7.029 -3.342 1.00 0.19 C ATOM 1110 O LEU A 79 -2.723 7.726 -2.340 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.199 8.380 -5.323 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.187 8.737 -6.411 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -1.749 9.798 -7.340 1.00 1.10 C ATOM 1114 CD2 LEU A 79 0.111 9.214 -5.783 1.00 0.94 C ATOM 0 H LEU A 79 -2.471 5.991 -6.119 1.00 0.27 H new ATOM 0 HA LEU A 79 -0.841 7.272 -4.078 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.169 8.213 -5.791 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.310 9.235 -4.656 1.00 0.26 H new ATOM 0 HG LEU A 79 -0.983 7.843 -7.000 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.012 10.037 -8.107 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -2.657 9.424 -7.813 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -1.982 10.696 -6.768 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.824 9.465 -6.568 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.083 10.096 -5.173 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.524 8.423 -5.157 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.799 6.151 -3.499 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.800 5.929 -2.467 1.00 0.20 C ATOM 1128 C VAL A 80 -4.866 4.450 -2.144 1.00 0.20 C ATOM 1129 O VAL A 80 -5.264 3.652 -2.981 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.194 6.427 -2.911 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.251 6.082 -1.872 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.173 7.925 -3.179 1.00 0.33 C ATOM 0 H VAL A 80 -3.918 5.576 -4.333 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.509 6.495 -1.582 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.453 5.918 -3.839 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.223 6.443 -2.208 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.292 5.001 -1.739 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.997 6.555 -0.923 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.165 8.253 -3.490 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -5.885 8.453 -2.270 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.454 8.143 -3.969 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.465 4.080 -0.944 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.380 2.677 -0.620 1.00 0.21 C ATOM 1144 C GLY A 81 -5.460 2.229 0.331 1.00 0.20 C ATOM 1145 O GLY A 81 -5.838 2.955 1.251 1.00 0.26 O ATOM 0 H GLY A 81 -4.199 4.718 -0.194 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.445 2.093 -1.538 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.405 2.469 -0.179 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.949 1.022 0.110 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.984 0.447 0.938 1.00 0.17 C ATOM 1151 C ILE A 82 -6.358 -0.431 2.001 1.00 0.17 C ATOM 1152 O ILE A 82 -5.668 -1.408 1.690 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.991 -0.389 0.110 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -9.012 0.512 -0.593 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.698 -1.412 0.989 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.410 1.393 -1.662 1.00 0.30 C ATOM 0 H ILE A 82 -5.637 0.416 -0.649 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.530 1.269 1.400 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.428 -0.923 -0.655 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.785 -0.111 -1.042 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.501 1.141 0.151 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.400 -1.987 0.385 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.962 -2.085 1.429 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.239 -0.897 1.783 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.192 2.002 -2.115 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.657 2.043 -1.216 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.946 0.771 -2.427 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.578 -0.052 3.247 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.147 -0.847 4.387 1.00 0.21 C ATOM 1170 C ASN A 83 -4.637 -1.027 4.380 1.00 0.22 C ATOM 1171 O ASN A 83 -4.125 -2.118 4.625 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.867 -2.201 4.386 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.325 -2.073 4.785 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.702 -1.162 5.523 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.158 -2.978 4.304 1.00 0.29 N ATOM 0 H ASN A 83 -7.058 0.812 3.499 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.411 -0.319 5.303 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.801 -2.645 3.393 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.362 -2.880 5.073 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.149 -2.936 4.541 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.810 -3.719 3.695 1.00 0.29 H new ATOM 1182 N CYS A 84 -3.930 0.057 4.084 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.477 0.043 4.087 1.00 0.23 C ATOM 1184 C CYS A 84 -1.962 0.119 5.513 1.00 0.25 C ATOM 1185 O CYS A 84 -1.713 1.197 6.048 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.920 1.206 3.271 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.549 1.291 1.568 1.00 0.81 S ATOM 0 H CYS A 84 -4.343 0.957 3.839 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.142 -0.888 3.631 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.158 2.140 3.781 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.833 1.127 3.241 1.00 0.26 H new ATOM 1192 N THR A 85 -1.827 -1.037 6.126 1.00 0.25 N ATOM 1193 CA THR A 85 -1.376 -1.124 7.498 1.00 0.28 C ATOM 1194 C THR A 85 0.145 -1.064 7.558 1.00 0.24 C ATOM 1195 O THR A 85 0.836 -1.714 6.770 1.00 0.23 O ATOM 1196 CB THR A 85 -1.891 -2.422 8.148 1.00 0.36 C ATOM 1197 OG1 THR A 85 -3.312 -2.520 7.966 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.566 -2.455 9.631 1.00 0.44 C ATOM 0 H THR A 85 -2.025 -1.938 5.691 1.00 0.25 H new ATOM 0 HA THR A 85 -1.778 -0.276 8.053 1.00 0.28 H new ATOM 0 HB THR A 85 -1.396 -3.266 7.668 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.638 -3.347 8.378 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.941 -3.382 10.065 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.486 -2.401 9.768 1.00 0.44 H new ATOM 0 HG23 THR A 85 -2.038 -1.606 10.126 1.00 0.44 H new ATOM 1206 N PRO A 86 0.672 -0.250 8.481 1.00 0.26 N ATOM 1207 CA PRO A 86 2.093 -0.058 8.639 1.00 0.28 C ATOM 1208 C PRO A 86 2.763 -1.293 9.213 1.00 0.33 C ATOM 1209 O PRO A 86 2.452 -1.733 10.323 1.00 0.39 O ATOM 1210 CB PRO A 86 2.217 1.136 9.574 1.00 0.37 C ATOM 1211 CG PRO A 86 0.895 1.319 10.208 1.00 0.35 C ATOM 1212 CD PRO A 86 -0.099 0.521 9.445 1.00 0.29 C ATOM 0 HA PRO A 86 2.592 0.117 7.686 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.986 0.960 10.326 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.509 2.030 9.023 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.924 0.996 11.249 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.616 2.373 10.209 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.666 -0.134 10.106 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.819 1.168 8.943 1.00 0.29 H new ATOM 1220 N ILE A 87 3.671 -1.851 8.442 1.00 0.37 N ATOM 1221 CA ILE A 87 4.292 -3.109 8.777 1.00 0.47 C ATOM 1222 C ILE A 87 5.525 -2.913 9.645 1.00 0.57 C ATOM 1223 O ILE A 87 6.295 -1.968 9.448 1.00 0.56 O ATOM 1224 CB ILE A 87 4.674 -3.878 7.505 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.251 -2.916 6.457 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.456 -4.612 6.967 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.938 -3.597 5.293 1.00 0.49 C ATOM 0 H ILE A 87 3.998 -1.444 7.566 1.00 0.37 H new ATOM 0 HA ILE A 87 3.563 -3.688 9.345 1.00 0.47 H new ATOM 0 HB ILE A 87 5.443 -4.614 7.742 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.445 -2.291 6.072 1.00 0.41 H new ATOM 0 HG13 ILE A 87 5.964 -2.251 6.945 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.729 -5.157 6.064 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.093 -5.313 7.718 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.672 -3.892 6.733 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.315 -2.843 4.602 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.768 -4.199 5.662 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.226 -4.240 4.776 1.00 0.49 H new ATOM 1239 N PRO A 88 5.714 -3.796 10.634 1.00 0.73 N ATOM 1240 CA PRO A 88 6.877 -3.782 11.508 1.00 0.86 C ATOM 1241 C PRO A 88 8.115 -4.309 10.804 1.00 0.92 C ATOM 1242 O PRO A 88 8.027 -5.144 9.902 1.00 0.96 O ATOM 1243 CB PRO A 88 6.491 -4.734 12.649 1.00 1.05 C ATOM 1244 CG PRO A 88 5.042 -4.993 12.468 1.00 1.04 C ATOM 1245 CD PRO A 88 4.813 -4.889 10.997 1.00 0.85 C ATOM 0 HA PRO A 88 7.120 -2.773 11.840 1.00 0.86 H new ATOM 0 HB2 PRO A 88 7.065 -5.659 12.601 1.00 1.05 H new ATOM 0 HB3 PRO A 88 6.692 -4.285 13.621 1.00 1.05 H new ATOM 0 HG2 PRO A 88 4.768 -5.980 12.842 1.00 1.04 H new ATOM 0 HG3 PRO A 88 4.440 -4.267 13.014 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.062 -5.814 10.477 1.00 0.85 H new ATOM 0 HD3 PRO A 88 3.774 -4.659 10.760 1.00 0.85 H new