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 -50:sc= 0.134 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 156:sc= 0.862 USER MOD Single : A 10 SER OG : rot -154:sc= 1.18 USER MOD Single : A 12 ASN : amide:sc= -1.85! C(o=-1.9!,f=-3!) USER MOD Single : A 13 THR OG1 : rot 161:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0204) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00346 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.0165 (180deg=-0.187) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0641 (180deg=-0.327) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= -0.0101 (180deg=-0.108) USER MOD Single : A 28 SER OG : rot 141:sc= -0.0286 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.299 K(o=-0.3,f=-0.98) USER MOD Single : A 48 GLN : amide:sc= -0.268 K(o=-0.27,f=-0.97) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.51 K(o=-2.5,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0456 (180deg=-0.38) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 41:sc= 1.26 USER MOD Single : A 83 ASN : amide:sc= 1.98 K(o=2,f=-5.2!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 5.593 -6.024 -5.001 1.00 0.81 N ATOM 29 CA TRP A 4 6.792 -5.601 -4.293 1.00 0.60 C ATOM 30 C TRP A 4 7.479 -6.770 -3.617 1.00 0.62 C ATOM 31 O TRP A 4 6.927 -7.869 -3.524 1.00 0.74 O ATOM 32 CB TRP A 4 6.465 -4.545 -3.245 1.00 0.45 C ATOM 33 CG TRP A 4 6.336 -3.170 -3.806 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.183 -2.504 -4.084 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.407 -2.293 -4.161 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.468 -1.254 -4.569 1.00 0.40 N ATOM 37 CE2 TRP A 4 6.829 -1.103 -4.633 1.00 0.37 C ATOM 38 CE3 TRP A 4 8.801 -2.398 -4.121 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.596 -0.024 -5.059 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.561 -1.326 -4.547 1.00 0.52 C ATOM 41 CH2 TRP A 4 8.958 -0.153 -5.009 1.00 0.52 C ATOM 0 HA TRP A 4 7.465 -5.177 -5.038 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.533 -4.815 -2.747 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.245 -4.546 -2.484 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.189 -2.902 -3.943 1.00 0.42 H new ATOM 0 HE1 TRP A 4 4.780 -0.551 -4.838 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.275 -3.300 -3.764 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.133 0.884 -5.417 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.638 -1.396 -4.523 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.579 0.669 -5.333 1.00 0.52 H new ATOM 52 N GLU A 5 8.688 -6.511 -3.146 1.00 0.66 N ATOM 53 CA GLU A 5 9.462 -7.495 -2.417 1.00 0.73 C ATOM 54 C GLU A 5 8.789 -7.810 -1.087 1.00 0.67 C ATOM 55 O GLU A 5 8.627 -6.930 -0.240 1.00 0.78 O ATOM 56 CB GLU A 5 10.877 -6.975 -2.166 1.00 0.96 C ATOM 57 CG GLU A 5 11.581 -6.485 -3.420 1.00 1.49 C ATOM 58 CD GLU A 5 11.640 -7.532 -4.511 1.00 2.14 C ATOM 59 OE1 GLU A 5 12.428 -8.488 -4.381 1.00 2.65 O ATOM 60 OE2 GLU A 5 10.909 -7.395 -5.513 1.00 2.73 O ATOM 0 H GLU A 5 9.158 -5.613 -3.260 1.00 0.66 H new ATOM 0 HA GLU A 5 9.518 -8.405 -3.015 1.00 0.73 H new ATOM 0 HB2 GLU A 5 10.832 -6.160 -1.444 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.471 -7.769 -1.714 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.065 -5.602 -3.798 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.595 -6.177 -3.164 1.00 1.49 H new ATOM 67 N SER A 6 8.387 -9.055 -0.915 1.00 0.74 N ATOM 68 CA SER A 6 7.792 -9.497 0.333 1.00 0.87 C ATOM 69 C SER A 6 8.788 -10.387 1.066 1.00 0.88 C ATOM 70 O SER A 6 8.415 -11.262 1.849 1.00 0.90 O ATOM 71 CB SER A 6 6.476 -10.240 0.073 1.00 1.16 C ATOM 72 OG SER A 6 5.715 -10.371 1.264 1.00 1.75 O ATOM 0 H SER A 6 8.462 -9.781 -1.627 1.00 0.74 H new ATOM 0 HA SER A 6 7.559 -8.632 0.954 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.894 -9.703 -0.676 1.00 1.16 H new ATOM 0 HB3 SER A 6 6.688 -11.228 -0.336 1.00 1.16 H new ATOM 0 HG SER A 6 6.284 -10.727 1.978 1.00 1.75 H new ATOM 78 N LYS A 7 10.065 -10.146 0.793 1.00 0.95 N ATOM 79 CA LYS A 7 11.149 -10.917 1.381 1.00 1.09 C ATOM 80 C LYS A 7 11.145 -10.790 2.900 1.00 1.03 C ATOM 81 O LYS A 7 11.406 -11.753 3.620 1.00 1.09 O ATOM 82 CB LYS A 7 12.485 -10.452 0.805 1.00 1.37 C ATOM 83 CG LYS A 7 13.690 -11.151 1.407 1.00 1.65 C ATOM 84 CD LYS A 7 13.504 -12.652 1.374 1.00 2.11 C ATOM 85 CE LYS A 7 14.634 -13.375 2.086 1.00 2.79 C ATOM 86 NZ LYS A 7 14.468 -14.852 2.023 1.00 3.24 N ATOM 0 H LYS A 7 10.376 -9.411 0.158 1.00 0.95 H new ATOM 0 HA LYS A 7 11.004 -11.969 1.135 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.482 -10.617 -0.272 1.00 1.37 H new ATOM 0 HB3 LYS A 7 12.584 -9.378 0.963 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.589 -10.878 0.855 1.00 1.65 H new ATOM 0 HG3 LYS A 7 13.834 -10.819 2.435 1.00 1.65 H new ATOM 0 HD2 LYS A 7 12.554 -12.911 1.842 1.00 2.11 H new ATOM 0 HD3 LYS A 7 13.452 -12.989 0.339 1.00 2.11 H new ATOM 0 HE2 LYS A 7 15.586 -13.096 1.634 1.00 2.79 H new ATOM 0 HE3 LYS A 7 14.670 -13.057 3.128 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 15.258 -15.312 2.519 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 13.571 -15.120 2.476 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 14.459 -15.158 1.029 1.00 3.24 H new ATOM 100 N THR A 8 10.840 -9.598 3.373 1.00 1.01 N ATOM 101 CA THR A 8 10.754 -9.332 4.802 1.00 1.08 C ATOM 102 C THR A 8 9.596 -10.113 5.435 1.00 0.93 C ATOM 103 O THR A 8 9.587 -10.369 6.637 1.00 1.03 O ATOM 104 CB THR A 8 10.577 -7.822 5.070 1.00 1.25 C ATOM 105 OG1 THR A 8 11.454 -7.076 4.213 1.00 2.05 O ATOM 106 CG2 THR A 8 10.890 -7.484 6.518 1.00 1.66 C ATOM 0 H THR A 8 10.645 -8.788 2.784 1.00 1.01 H new ATOM 0 HA THR A 8 11.688 -9.662 5.257 1.00 1.08 H new ATOM 0 HB THR A 8 9.539 -7.559 4.867 1.00 1.25 H new ATOM 0 HG1 THR A 8 11.098 -6.171 4.088 1.00 2.05 H new ATOM 0 HG21 THR A 8 10.757 -6.414 6.679 1.00 1.66 H new ATOM 0 HG22 THR A 8 10.217 -8.036 7.174 1.00 1.66 H new ATOM 0 HG23 THR A 8 11.921 -7.759 6.741 1.00 1.66 H new ATOM 114 N GLY A 9 8.626 -10.500 4.604 1.00 0.79 N ATOM 115 CA GLY A 9 7.512 -11.309 5.071 1.00 0.79 C ATOM 116 C GLY A 9 6.517 -10.522 5.899 1.00 0.69 C ATOM 117 O GLY A 9 5.690 -11.099 6.599 1.00 0.88 O ATOM 0 H GLY A 9 8.594 -10.265 3.612 1.00 0.79 H new ATOM 0 HA2 GLY A 9 7.000 -11.743 4.212 1.00 0.79 H new ATOM 0 HA3 GLY A 9 7.896 -12.138 5.665 1.00 0.79 H new ATOM 121 N SER A 10 6.592 -9.204 5.817 1.00 0.61 N ATOM 122 CA SER A 10 5.755 -8.344 6.637 1.00 0.73 C ATOM 123 C SER A 10 4.361 -8.157 6.034 1.00 0.64 C ATOM 124 O SER A 10 3.423 -7.770 6.731 1.00 0.73 O ATOM 125 CB SER A 10 6.437 -6.989 6.812 1.00 0.96 C ATOM 126 OG SER A 10 7.796 -7.150 7.181 1.00 1.72 O ATOM 0 H SER A 10 7.224 -8.706 5.190 1.00 0.61 H new ATOM 0 HA SER A 10 5.627 -8.824 7.607 1.00 0.73 H new ATOM 0 HB2 SER A 10 6.373 -6.423 5.883 1.00 0.96 H new ATOM 0 HB3 SER A 10 5.915 -6.411 7.574 1.00 0.96 H new ATOM 0 HG SER A 10 8.095 -6.362 7.680 1.00 1.72 H new ATOM 132 N CYS A 11 4.218 -8.442 4.747 1.00 0.52 N ATOM 133 CA CYS A 11 2.948 -8.215 4.070 1.00 0.44 C ATOM 134 C CYS A 11 2.356 -9.533 3.581 1.00 0.41 C ATOM 135 O CYS A 11 3.077 -10.416 3.118 1.00 0.43 O ATOM 136 CB CYS A 11 3.159 -7.255 2.899 1.00 0.41 C ATOM 137 SG CYS A 11 1.636 -6.779 2.015 1.00 1.19 S ATOM 0 H CYS A 11 4.956 -8.826 4.156 1.00 0.52 H new ATOM 0 HA CYS A 11 2.244 -7.771 4.774 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.644 -6.352 3.271 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.845 -7.716 2.189 1.00 0.41 H new ATOM 142 N ASN A 12 1.037 -9.657 3.687 1.00 0.46 N ATOM 143 CA ASN A 12 0.346 -10.879 3.284 1.00 0.53 C ATOM 144 C ASN A 12 -0.144 -10.804 1.840 1.00 0.47 C ATOM 145 O ASN A 12 -0.296 -11.827 1.176 1.00 0.57 O ATOM 146 CB ASN A 12 -0.830 -11.177 4.225 1.00 0.69 C ATOM 147 CG ASN A 12 -1.906 -10.107 4.202 1.00 0.90 C ATOM 148 OD1 ASN A 12 -2.868 -10.196 3.444 1.00 1.66 O ATOM 149 ND2 ASN A 12 -1.755 -9.095 5.041 1.00 1.03 N ATOM 0 H ASN A 12 0.424 -8.926 4.049 1.00 0.46 H new ATOM 0 HA ASN A 12 1.068 -11.693 3.351 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.273 -12.134 3.949 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.454 -11.282 5.243 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -2.453 -8.352 5.074 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -0.941 -9.058 5.655 1.00 1.03 H new ATOM 156 N THR A 13 -0.384 -9.598 1.353 1.00 0.38 N ATOM 157 CA THR A 13 -0.978 -9.420 0.038 1.00 0.37 C ATOM 158 C THR A 13 0.075 -9.206 -1.040 1.00 0.35 C ATOM 159 O THR A 13 -0.113 -9.589 -2.195 1.00 0.44 O ATOM 160 CB THR A 13 -1.936 -8.220 0.041 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.258 -7.079 0.578 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.175 -8.521 0.867 1.00 0.52 C ATOM 0 H THR A 13 -0.177 -8.730 1.847 1.00 0.38 H new ATOM 0 HA THR A 13 -1.524 -10.336 -0.189 1.00 0.37 H new ATOM 0 HB THR A 13 -2.251 -8.016 -0.982 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.730 -6.263 0.311 1.00 0.43 H new ATOM 0 HG21 THR A 13 -3.839 -7.657 0.855 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.693 -9.383 0.446 1.00 0.52 H new ATOM 0 HG23 THR A 13 -2.883 -8.740 1.894 1.00 0.52 H new ATOM 170 N GLY A 14 1.186 -8.600 -0.654 1.00 0.29 N ATOM 171 CA GLY A 14 2.216 -8.270 -1.614 1.00 0.31 C ATOM 172 C GLY A 14 2.034 -6.873 -2.165 1.00 0.30 C ATOM 173 O GLY A 14 2.843 -6.399 -2.966 1.00 0.43 O ATOM 0 H GLY A 14 1.393 -8.331 0.308 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.195 -8.351 -1.141 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.197 -8.990 -2.432 1.00 0.31 H new ATOM 177 N LYS A 15 0.972 -6.205 -1.721 1.00 0.24 N ATOM 178 CA LYS A 15 0.699 -4.844 -2.145 1.00 0.25 C ATOM 179 C LYS A 15 1.325 -3.876 -1.159 1.00 0.24 C ATOM 180 O LYS A 15 0.693 -3.457 -0.188 1.00 0.25 O ATOM 181 CB LYS A 15 -0.810 -4.595 -2.228 1.00 0.31 C ATOM 182 CG LYS A 15 -1.514 -5.365 -3.335 1.00 0.41 C ATOM 183 CD LYS A 15 -3.011 -5.094 -3.315 1.00 0.57 C ATOM 184 CE LYS A 15 -3.717 -5.680 -4.528 1.00 0.69 C ATOM 185 NZ LYS A 15 -3.553 -7.154 -4.622 1.00 1.64 N ATOM 0 H LYS A 15 0.289 -6.589 -1.068 1.00 0.24 H new ATOM 0 HA LYS A 15 1.128 -4.691 -3.135 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.263 -4.861 -1.273 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.982 -3.529 -2.377 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -1.101 -5.079 -4.302 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.332 -6.433 -3.214 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.443 -5.515 -2.407 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -3.183 -4.018 -3.281 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -4.779 -5.438 -4.479 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.325 -5.215 -5.433 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.107 -7.514 -5.425 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -2.549 -7.383 -4.764 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -3.889 -7.597 -3.743 1.00 1.64 H new ATOM 199 N LEU A 16 2.577 -3.539 -1.398 1.00 0.26 N ATOM 200 CA LEU A 16 3.287 -2.619 -0.542 1.00 0.30 C ATOM 201 C LEU A 16 3.245 -1.218 -1.114 1.00 0.33 C ATOM 202 O LEU A 16 3.356 -1.018 -2.322 1.00 0.55 O ATOM 203 CB LEU A 16 4.739 -3.060 -0.348 1.00 0.35 C ATOM 204 CG LEU A 16 4.943 -4.234 0.609 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.336 -5.497 0.044 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.418 -4.438 0.915 1.00 0.43 C ATOM 0 H LEU A 16 3.123 -3.893 -2.183 1.00 0.26 H new ATOM 0 HA LEU A 16 2.793 -2.619 0.429 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.153 -3.329 -1.320 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.314 -2.210 0.019 1.00 0.35 H new ATOM 0 HG LEU A 16 4.434 -3.998 1.543 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.493 -6.320 0.742 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.267 -5.350 -0.109 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.810 -5.734 -0.909 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.535 -5.279 1.598 1.00 0.43 H new ATOM 0 HD22 LEU A 16 6.956 -4.644 -0.010 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.822 -3.537 1.377 1.00 0.43 H new ATOM 218 N ALA A 17 3.068 -0.261 -0.242 1.00 0.27 N ATOM 219 CA ALA A 17 3.092 1.133 -0.616 1.00 0.27 C ATOM 220 C ALA A 17 3.652 1.923 0.547 1.00 0.24 C ATOM 221 O ALA A 17 3.651 1.434 1.675 1.00 0.28 O ATOM 222 CB ALA A 17 1.692 1.607 -0.987 1.00 0.29 C ATOM 0 H ALA A 17 2.902 -0.424 0.751 1.00 0.27 H new ATOM 0 HA ALA A 17 3.723 1.281 -1.492 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.727 2.660 -1.267 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.320 1.020 -1.827 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.027 1.480 -0.133 1.00 0.29 H new ATOM 228 N CYS A 18 4.194 3.093 0.284 1.00 0.26 N ATOM 229 CA CYS A 18 4.636 3.954 1.364 1.00 0.26 C ATOM 230 C CYS A 18 3.593 5.025 1.624 1.00 0.24 C ATOM 231 O CYS A 18 3.560 6.060 0.952 1.00 0.32 O ATOM 232 CB CYS A 18 5.981 4.581 1.038 1.00 0.36 C ATOM 233 SG CYS A 18 7.342 3.380 0.945 1.00 0.74 S ATOM 0 H CYS A 18 4.339 3.467 -0.654 1.00 0.26 H new ATOM 0 HA CYS A 18 4.758 3.354 2.265 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.906 5.107 0.086 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.218 5.327 1.796 1.00 0.36 H new ATOM 238 N CYS A 19 2.756 4.780 2.616 1.00 0.21 N ATOM 239 CA CYS A 19 1.569 5.587 2.824 1.00 0.21 C ATOM 240 C CYS A 19 1.693 6.430 4.081 1.00 0.23 C ATOM 241 O CYS A 19 2.463 6.108 4.989 1.00 0.30 O ATOM 242 CB CYS A 19 0.332 4.692 2.916 1.00 0.23 C ATOM 243 SG CYS A 19 0.018 3.679 1.430 1.00 0.50 S ATOM 0 H CYS A 19 2.878 4.026 3.292 1.00 0.21 H new ATOM 0 HA CYS A 19 1.464 6.258 1.972 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.441 4.030 3.775 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.540 5.318 3.105 1.00 0.23 H new ATOM 248 N ASP A 20 0.941 7.518 4.125 1.00 0.23 N ATOM 249 CA ASP A 20 0.893 8.359 5.303 1.00 0.28 C ATOM 250 C ASP A 20 -0.353 8.038 6.094 1.00 0.28 C ATOM 251 O ASP A 20 -1.464 8.347 5.675 1.00 0.34 O ATOM 252 CB ASP A 20 0.915 9.842 4.935 1.00 0.37 C ATOM 253 CG ASP A 20 2.232 10.261 4.322 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.271 10.527 3.105 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.241 10.312 5.058 1.00 1.33 O ATOM 0 H ASP A 20 0.355 7.838 3.354 1.00 0.23 H new ATOM 0 HA ASP A 20 1.778 8.157 5.907 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.107 10.052 4.234 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.726 10.439 5.827 1.00 0.37 H new ATOM 260 N THR A 21 -0.161 7.420 7.239 1.00 0.31 N ATOM 261 CA THR A 21 -1.267 6.969 8.065 1.00 0.36 C ATOM 262 C THR A 21 -1.980 8.144 8.725 1.00 0.42 C ATOM 263 O THR A 21 -3.040 7.983 9.331 1.00 0.52 O ATOM 264 CB THR A 21 -0.774 5.991 9.140 1.00 0.41 C ATOM 265 OG1 THR A 21 0.326 6.571 9.857 1.00 0.41 O ATOM 266 CG2 THR A 21 -0.335 4.675 8.517 1.00 0.43 C ATOM 0 H THR A 21 0.761 7.215 7.625 1.00 0.31 H new ATOM 0 HA THR A 21 -1.976 6.457 7.414 1.00 0.36 H new ATOM 0 HB THR A 21 -1.598 5.793 9.826 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.636 5.944 10.543 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.010 3.999 9.300 1.00 0.43 H new ATOM 0 HG22 THR A 21 -1.176 4.223 7.992 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.476 4.859 7.813 1.00 0.43 H new ATOM 274 N ASN A 22 -1.400 9.327 8.586 1.00 0.43 N ATOM 275 CA ASN A 22 -1.972 10.531 9.154 1.00 0.56 C ATOM 276 C ASN A 22 -2.688 11.306 8.065 1.00 0.50 C ATOM 277 O ASN A 22 -3.362 12.302 8.323 1.00 0.63 O ATOM 278 CB ASN A 22 -0.878 11.395 9.780 1.00 0.70 C ATOM 279 CG ASN A 22 -0.110 10.668 10.866 1.00 1.35 C ATOM 280 OD1 ASN A 22 0.929 10.058 10.611 1.00 1.87 O ATOM 281 ND2 ASN A 22 -0.624 10.714 12.082 1.00 2.20 N ATOM 0 H ASN A 22 -0.527 9.475 8.080 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.683 10.258 9.934 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.185 11.716 9.003 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.327 12.296 10.199 1.00 0.70 H new ATOM 0 HD21 ASN A 22 -0.158 10.233 12.851 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -1.487 11.231 12.252 1.00 2.20 H new ATOM 288 N LYS A 23 -2.531 10.826 6.843 1.00 0.40 N ATOM 289 CA LYS A 23 -3.124 11.454 5.685 1.00 0.39 C ATOM 290 C LYS A 23 -4.119 10.516 5.048 1.00 0.32 C ATOM 291 O LYS A 23 -3.756 9.450 4.567 1.00 0.39 O ATOM 292 CB LYS A 23 -2.040 11.824 4.679 1.00 0.47 C ATOM 293 CG LYS A 23 -1.015 12.811 5.206 1.00 0.95 C ATOM 294 CD LYS A 23 -0.043 13.242 4.127 1.00 1.53 C ATOM 295 CE LYS A 23 -0.720 14.151 3.116 1.00 1.84 C ATOM 296 NZ LYS A 23 -1.051 15.483 3.692 1.00 2.60 N ATOM 0 H LYS A 23 -1.988 9.989 6.631 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.639 12.362 5.998 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.526 10.916 4.365 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.512 12.246 3.792 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -1.526 13.687 5.606 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.465 12.358 6.031 1.00 0.95 H new ATOM 0 HD2 LYS A 23 0.802 13.761 4.580 1.00 1.53 H new ATOM 0 HD3 LYS A 23 0.357 12.363 3.621 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -0.067 14.282 2.253 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -1.632 13.676 2.756 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 -1.288 16.144 2.925 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -1.864 15.391 4.334 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 -0.232 15.846 4.221 1.00 2.60 H new ATOM 310 N LYS A 24 -5.370 10.915 5.024 1.00 0.49 N ATOM 311 CA LYS A 24 -6.412 10.016 4.597 1.00 0.49 C ATOM 312 C LYS A 24 -7.301 10.621 3.524 1.00 0.45 C ATOM 313 O LYS A 24 -7.449 11.840 3.429 1.00 0.48 O ATOM 314 CB LYS A 24 -7.202 9.559 5.796 1.00 0.61 C ATOM 315 CG LYS A 24 -7.598 10.673 6.722 1.00 0.91 C ATOM 316 CD LYS A 24 -7.453 10.203 8.145 1.00 1.32 C ATOM 317 CE LYS A 24 -8.504 9.164 8.512 1.00 1.88 C ATOM 318 NZ LYS A 24 -9.884 9.712 8.431 1.00 2.17 N ATOM 0 H LYS A 24 -5.687 11.847 5.293 1.00 0.49 H new ATOM 0 HA LYS A 24 -5.945 9.148 4.131 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -8.101 9.047 5.453 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -6.612 8.830 6.351 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -6.971 11.547 6.549 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -8.627 10.975 6.528 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -6.459 9.779 8.287 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -7.535 11.056 8.819 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -8.415 8.307 7.844 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -8.317 8.801 9.523 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -10.535 9.090 8.951 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -9.905 10.664 8.850 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -10.178 9.766 7.435 1.00 2.17 H new ATOM 332 N VAL A 25 -7.870 9.749 2.708 1.00 0.46 N ATOM 333 CA VAL A 25 -8.658 10.156 1.560 1.00 0.50 C ATOM 334 C VAL A 25 -10.145 10.091 1.886 1.00 0.56 C ATOM 335 O VAL A 25 -10.582 9.281 2.707 1.00 0.57 O ATOM 336 CB VAL A 25 -8.366 9.251 0.339 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.916 9.855 -0.946 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.875 8.985 0.209 1.00 0.44 C ATOM 0 H VAL A 25 -7.798 8.738 2.824 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.382 11.182 1.316 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.874 8.301 0.505 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.693 9.194 -1.783 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.995 9.978 -0.858 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.453 10.827 -1.118 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.693 8.347 -0.656 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.347 9.930 0.080 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.514 8.487 1.109 1.00 0.44 H new ATOM 348 N GLN A 26 -10.911 10.952 1.238 1.00 0.66 N ATOM 349 CA GLN A 26 -12.348 11.022 1.430 1.00 0.78 C ATOM 350 C GLN A 26 -13.056 10.114 0.427 1.00 0.75 C ATOM 351 O GLN A 26 -14.269 10.193 0.232 1.00 0.87 O ATOM 352 CB GLN A 26 -12.804 12.468 1.262 1.00 0.97 C ATOM 353 CG GLN A 26 -12.237 13.403 2.317 1.00 1.71 C ATOM 354 CD GLN A 26 -12.454 14.867 1.989 1.00 2.23 C ATOM 355 OE1 GLN A 26 -13.424 15.235 1.326 1.00 2.62 O ATOM 356 NE2 GLN A 26 -11.548 15.714 2.455 1.00 2.83 N ATOM 0 H GLN A 26 -10.551 11.625 0.561 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.602 10.681 2.434 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.508 12.823 0.275 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -13.893 12.505 1.301 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -12.699 13.179 3.279 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -11.169 13.215 2.425 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -10.759 15.368 3.000 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -11.640 16.713 2.268 1.00 2.83 H new ATOM 365 N LYS A 27 -12.269 9.259 -0.208 1.00 0.96 N ATOM 366 CA LYS A 27 -12.770 8.282 -1.161 1.00 1.06 C ATOM 367 C LYS A 27 -12.178 6.923 -0.825 1.00 0.94 C ATOM 368 O LYS A 27 -11.018 6.839 -0.428 1.00 1.56 O ATOM 369 CB LYS A 27 -12.382 8.676 -2.592 1.00 1.81 C ATOM 370 CG LYS A 27 -13.034 9.960 -3.090 1.00 2.36 C ATOM 371 CD LYS A 27 -14.533 9.811 -3.291 1.00 2.79 C ATOM 372 CE LYS A 27 -14.849 8.745 -4.319 1.00 3.33 C ATOM 373 NZ LYS A 27 -14.346 9.096 -5.674 1.00 4.07 N ATOM 0 H LYS A 27 -11.258 9.224 -0.075 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.858 8.244 -1.099 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.299 8.789 -2.644 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -12.650 7.862 -3.265 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -12.844 10.761 -2.375 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -12.572 10.257 -4.032 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -15.005 9.555 -2.342 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -14.955 10.764 -3.611 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -14.408 7.799 -4.005 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -15.928 8.595 -4.363 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -14.729 8.426 -6.371 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -14.649 10.060 -5.918 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -13.307 9.048 -5.682 1.00 4.07 H new ATOM 387 N SER A 28 -12.965 5.873 -0.974 1.00 0.83 N ATOM 388 CA SER A 28 -12.506 4.534 -0.651 1.00 1.35 C ATOM 389 C SER A 28 -12.997 3.548 -1.701 1.00 1.17 C ATOM 390 O SER A 28 -14.006 2.860 -1.523 1.00 1.46 O ATOM 391 CB SER A 28 -12.986 4.140 0.745 1.00 2.09 C ATOM 392 OG SER A 28 -12.397 2.928 1.186 1.00 2.46 O ATOM 0 H SER A 28 -13.925 5.921 -1.316 1.00 0.83 H new ATOM 0 HA SER A 28 -11.416 4.515 -0.652 1.00 1.35 H new ATOM 0 HB2 SER A 28 -12.747 4.937 1.449 1.00 2.09 H new ATOM 0 HB3 SER A 28 -14.071 4.035 0.739 1.00 2.09 H new ATOM 0 HG SER A 28 -12.183 2.996 2.140 1.00 2.46 H new ATOM 398 N THR A 29 -12.290 3.518 -2.813 1.00 1.02 N ATOM 399 CA THR A 29 -12.620 2.630 -3.914 1.00 1.07 C ATOM 400 C THR A 29 -11.492 1.625 -4.128 1.00 1.17 C ATOM 401 O THR A 29 -10.317 1.959 -3.974 1.00 2.00 O ATOM 402 CB THR A 29 -12.854 3.429 -5.211 1.00 1.24 C ATOM 403 OG1 THR A 29 -13.644 4.594 -4.927 1.00 1.64 O ATOM 404 CG2 THR A 29 -13.565 2.579 -6.256 1.00 1.64 C ATOM 0 H THR A 29 -11.473 4.105 -2.980 1.00 1.02 H new ATOM 0 HA THR A 29 -13.538 2.099 -3.662 1.00 1.07 H new ATOM 0 HB THR A 29 -11.883 3.727 -5.607 1.00 1.24 H new ATOM 0 HG1 THR A 29 -13.789 5.100 -5.753 1.00 1.64 H new ATOM 0 HG21 THR A 29 -13.718 3.167 -7.161 1.00 1.64 H new ATOM 0 HG22 THR A 29 -12.957 1.705 -6.489 1.00 1.64 H new ATOM 0 HG23 THR A 29 -14.530 2.256 -5.866 1.00 1.64 H new ATOM 412 N GLY A 30 -11.848 0.396 -4.473 1.00 0.96 N ATOM 413 CA GLY A 30 -10.854 -0.636 -4.652 1.00 1.02 C ATOM 414 C GLY A 30 -10.768 -1.106 -6.088 1.00 1.05 C ATOM 415 O GLY A 30 -11.762 -1.098 -6.813 1.00 1.39 O ATOM 0 H GLY A 30 -12.810 0.097 -4.632 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.881 -0.259 -4.336 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -11.092 -1.483 -4.008 1.00 1.02 H new ATOM 419 N GLU A 31 -9.580 -1.517 -6.497 1.00 1.00 N ATOM 420 CA GLU A 31 -9.361 -2.016 -7.833 1.00 1.18 C ATOM 421 C GLU A 31 -9.382 -3.540 -7.814 1.00 0.94 C ATOM 422 O GLU A 31 -10.119 -4.167 -8.570 1.00 1.04 O ATOM 423 CB GLU A 31 -8.026 -1.504 -8.366 1.00 1.63 C ATOM 424 CG GLU A 31 -7.716 -2.012 -9.753 1.00 2.14 C ATOM 425 CD GLU A 31 -6.347 -1.597 -10.243 1.00 2.60 C ATOM 426 OE1 GLU A 31 -5.494 -2.480 -10.468 1.00 2.90 O ATOM 427 OE2 GLU A 31 -6.108 -0.381 -10.394 1.00 3.06 O ATOM 0 H GLU A 31 -8.746 -1.512 -5.910 1.00 1.00 H new ATOM 0 HA GLU A 31 -10.154 -1.660 -8.491 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -8.039 -0.414 -8.378 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -7.229 -1.806 -7.687 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -7.783 -3.100 -9.759 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -8.471 -1.642 -10.446 1.00 2.14 H new ATOM 434 N GLU A 32 -8.600 -4.124 -6.915 1.00 0.85 N ATOM 435 CA GLU A 32 -8.579 -5.567 -6.746 1.00 1.01 C ATOM 436 C GLU A 32 -9.574 -5.977 -5.676 1.00 1.08 C ATOM 437 O GLU A 32 -10.139 -7.071 -5.717 1.00 1.36 O ATOM 438 CB GLU A 32 -7.174 -6.049 -6.386 1.00 1.26 C ATOM 439 CG GLU A 32 -6.194 -5.977 -7.545 1.00 1.66 C ATOM 440 CD GLU A 32 -6.580 -6.901 -8.682 1.00 1.90 C ATOM 441 OE1 GLU A 32 -6.277 -8.109 -8.597 1.00 2.09 O ATOM 442 OE2 GLU A 32 -7.191 -6.427 -9.665 1.00 2.44 O ATOM 0 H GLU A 32 -7.972 -3.617 -6.292 1.00 0.85 H new ATOM 0 HA GLU A 32 -8.864 -6.033 -7.689 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.793 -5.448 -5.560 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.231 -7.078 -6.032 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -6.145 -4.952 -7.913 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -5.196 -6.237 -7.191 1.00 1.66 H new ATOM 603 N GLN A 44 -13.334 0.528 4.469 1.00 0.64 N ATOM 604 CA GLN A 44 -11.923 0.376 4.136 1.00 0.45 C ATOM 605 C GLN A 44 -11.166 1.675 4.378 1.00 0.42 C ATOM 606 O GLN A 44 -11.623 2.757 4.000 1.00 0.57 O ATOM 607 CB GLN A 44 -11.747 -0.018 2.676 1.00 0.42 C ATOM 608 CG GLN A 44 -12.714 -1.084 2.198 1.00 0.57 C ATOM 609 CD GLN A 44 -12.429 -1.523 0.775 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.695 -2.487 0.541 1.00 1.40 O ATOM 611 NE2 GLN A 44 -12.998 -0.815 -0.188 1.00 1.18 N ATOM 0 HA GLN A 44 -11.524 -0.409 4.778 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -11.867 0.870 2.055 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.728 -0.375 2.528 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.656 -1.947 2.861 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.733 -0.702 2.261 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -13.599 -0.025 0.047 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.836 -1.060 -1.165 1.00 1.18 H new ATOM 620 N VAL A 45 -10.006 1.559 4.988 1.00 0.33 N ATOM 621 CA VAL A 45 -9.206 2.721 5.330 1.00 0.36 C ATOM 622 C VAL A 45 -8.377 3.153 4.139 1.00 0.27 C ATOM 623 O VAL A 45 -7.473 2.444 3.706 1.00 0.33 O ATOM 624 CB VAL A 45 -8.274 2.451 6.528 1.00 0.48 C ATOM 625 CG1 VAL A 45 -7.487 3.701 6.890 1.00 1.19 C ATOM 626 CG2 VAL A 45 -9.069 1.958 7.725 1.00 1.37 C ATOM 0 H VAL A 45 -9.592 0.667 5.260 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.897 3.515 5.612 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.568 1.673 6.240 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.836 3.488 7.738 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.883 4.010 6.037 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -8.178 4.502 7.155 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -8.393 1.773 8.560 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -9.801 2.713 8.011 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -9.584 1.034 7.464 1.00 1.37 H new ATOM 636 N ALA A 46 -8.705 4.309 3.614 1.00 0.24 N ATOM 637 CA ALA A 46 -8.016 4.855 2.464 1.00 0.21 C ATOM 638 C ALA A 46 -7.102 5.993 2.881 1.00 0.20 C ATOM 639 O ALA A 46 -7.563 7.090 3.195 1.00 0.30 O ATOM 640 CB ALA A 46 -9.028 5.335 1.439 1.00 0.29 C ATOM 0 H ALA A 46 -9.457 4.900 3.970 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.402 4.073 2.017 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.505 5.745 0.575 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.650 4.498 1.122 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.657 6.107 1.882 1.00 0.29 H new ATOM 646 N ILE A 47 -5.809 5.727 2.896 1.00 0.21 N ATOM 647 CA ILE A 47 -4.841 6.746 3.249 1.00 0.21 C ATOM 648 C ILE A 47 -4.026 7.165 2.039 1.00 0.20 C ATOM 649 O ILE A 47 -3.854 6.393 1.091 1.00 0.21 O ATOM 650 CB ILE A 47 -3.899 6.293 4.384 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.346 4.892 4.107 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.625 6.345 5.723 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.390 4.394 5.170 1.00 0.23 C ATOM 0 H ILE A 47 -5.407 4.818 2.669 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.410 7.602 3.611 1.00 0.21 H new ATOM 0 HB ILE A 47 -3.052 6.978 4.428 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -4.178 4.193 4.023 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.835 4.897 3.144 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.950 6.023 6.516 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.954 7.365 5.919 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.491 5.684 5.693 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -2.040 3.396 4.906 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.538 5.071 5.239 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.902 4.356 6.131 1.00 0.23 H new ATOM 665 N GLN A 48 -3.546 8.400 2.074 1.00 0.24 N ATOM 666 CA GLN A 48 -2.754 8.946 0.989 1.00 0.25 C ATOM 667 C GLN A 48 -1.388 8.316 0.972 1.00 0.22 C ATOM 668 O GLN A 48 -0.780 8.063 2.014 1.00 0.36 O ATOM 669 CB GLN A 48 -2.635 10.462 1.091 1.00 0.36 C ATOM 670 CG GLN A 48 -3.596 11.181 0.171 1.00 0.47 C ATOM 671 CD GLN A 48 -3.331 10.890 -1.293 1.00 1.43 C ATOM 672 OE1 GLN A 48 -2.193 10.645 -1.696 1.00 2.38 O ATOM 673 NE2 GLN A 48 -4.381 10.911 -2.100 1.00 1.78 N ATOM 0 H GLN A 48 -3.695 9.045 2.850 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.265 8.714 0.055 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -2.823 10.770 2.120 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.615 10.760 0.850 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -4.617 10.888 0.417 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -3.523 12.255 0.343 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -5.307 11.118 -1.726 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -4.263 10.720 -3.095 1.00 1.78 H new ATOM 682 N CYS A 49 -0.912 8.085 -0.221 1.00 0.26 N ATOM 683 CA CYS A 49 0.280 7.299 -0.419 1.00 0.25 C ATOM 684 C CYS A 49 1.075 7.847 -1.594 1.00 0.28 C ATOM 685 O CYS A 49 0.563 8.654 -2.373 1.00 0.32 O ATOM 686 CB CYS A 49 -0.132 5.850 -0.664 1.00 0.25 C ATOM 687 SG CYS A 49 1.043 4.617 -0.053 1.00 1.15 S ATOM 0 H CYS A 49 -1.335 8.433 -1.081 1.00 0.26 H new ATOM 0 HA CYS A 49 0.917 7.348 0.464 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -1.099 5.676 -0.191 1.00 0.25 H new ATOM 0 HB3 CYS A 49 -0.270 5.702 -1.735 1.00 0.25 H new ATOM 692 N THR A 50 2.322 7.424 -1.719 1.00 0.28 N ATOM 693 CA THR A 50 3.183 7.922 -2.774 1.00 0.36 C ATOM 694 C THR A 50 4.341 6.962 -3.006 1.00 0.38 C ATOM 695 O THR A 50 4.731 6.217 -2.104 1.00 0.45 O ATOM 696 CB THR A 50 3.720 9.336 -2.444 1.00 0.46 C ATOM 697 OG1 THR A 50 4.500 9.848 -3.534 1.00 0.60 O ATOM 698 CG2 THR A 50 4.563 9.314 -1.181 1.00 0.54 C ATOM 0 H THR A 50 2.758 6.738 -1.103 1.00 0.28 H new ATOM 0 HA THR A 50 2.589 7.992 -3.685 1.00 0.36 H new ATOM 0 HB THR A 50 2.862 9.988 -2.283 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.830 10.743 -3.308 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.929 10.319 -0.970 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.957 8.966 -0.345 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.410 8.642 -1.320 1.00 0.54 H new ATOM 706 N GLN A 51 4.862 6.964 -4.219 1.00 0.39 N ATOM 707 CA GLN A 51 5.983 6.119 -4.567 1.00 0.42 C ATOM 708 C GLN A 51 7.147 6.987 -5.031 1.00 0.42 C ATOM 709 O GLN A 51 7.008 7.775 -5.969 1.00 0.58 O ATOM 710 CB GLN A 51 5.569 5.127 -5.659 1.00 0.57 C ATOM 711 CG GLN A 51 6.197 3.753 -5.497 1.00 0.66 C ATOM 712 CD GLN A 51 7.684 3.736 -5.789 1.00 1.01 C ATOM 713 OE1 GLN A 51 8.170 4.448 -6.670 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.415 2.950 -5.022 1.00 0.74 N ATOM 0 H GLN A 51 4.522 7.547 -4.983 1.00 0.39 H new ATOM 0 HA GLN A 51 6.300 5.549 -3.693 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.484 5.025 -5.654 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.847 5.533 -6.632 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.030 3.402 -4.479 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.695 3.051 -6.163 1.00 0.66 H new ATOM 0 HE21 GLN A 51 7.968 2.378 -4.305 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.427 2.914 -5.146 1.00 0.74 H new ATOM 723 N ILE A 52 8.283 6.849 -4.366 1.00 0.43 N ATOM 724 CA ILE A 52 9.459 7.637 -4.693 1.00 0.50 C ATOM 725 C ILE A 52 10.325 6.871 -5.687 1.00 0.56 C ATOM 726 O ILE A 52 10.597 5.690 -5.489 1.00 0.65 O ATOM 727 CB ILE A 52 10.265 7.984 -3.419 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.412 8.857 -2.491 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.576 8.683 -3.763 1.00 0.85 C ATOM 730 CD1 ILE A 52 10.133 9.332 -1.247 1.00 0.95 C ATOM 0 H ILE A 52 8.415 6.196 -3.594 1.00 0.43 H new ATOM 0 HA ILE A 52 9.139 8.575 -5.147 1.00 0.50 H new ATOM 0 HB ILE A 52 10.517 7.056 -2.906 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.062 9.726 -3.048 1.00 0.72 H new ATOM 0 HG13 ILE A 52 8.528 8.293 -2.192 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.118 8.913 -2.845 1.00 0.85 H new ATOM 0 HG22 ILE A 52 12.184 8.029 -4.389 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.365 9.607 -4.301 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.459 9.943 -0.646 1.00 0.95 H new ATOM 0 HD12 ILE A 52 10.459 8.471 -0.664 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.001 9.925 -1.534 1.00 0.95 H new ATOM 742 N PRO A 53 10.756 7.556 -6.772 1.00 0.66 N ATOM 743 CA PRO A 53 11.504 6.964 -7.888 1.00 0.80 C ATOM 744 C PRO A 53 12.442 5.841 -7.463 1.00 0.82 C ATOM 745 O PRO A 53 13.551 6.079 -6.972 1.00 0.87 O ATOM 746 CB PRO A 53 12.292 8.158 -8.412 1.00 0.95 C ATOM 747 CG PRO A 53 11.396 9.329 -8.183 1.00 0.85 C ATOM 748 CD PRO A 53 10.526 8.992 -6.994 1.00 0.70 C ATOM 0 HA PRO A 53 10.848 6.491 -8.619 1.00 0.80 H new ATOM 0 HB2 PRO A 53 13.238 8.273 -7.882 1.00 0.95 H new ATOM 0 HB3 PRO A 53 12.531 8.042 -9.469 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.979 10.230 -7.991 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.786 9.526 -9.064 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.803 9.579 -6.119 1.00 0.70 H new ATOM 0 HD3 PRO A 53 9.476 9.200 -7.198 1.00 0.70 H new ATOM 756 N LEU A 54 11.974 4.617 -7.658 1.00 0.90 N ATOM 757 CA LEU A 54 12.668 3.433 -7.200 1.00 0.96 C ATOM 758 C LEU A 54 13.823 3.075 -8.122 1.00 0.90 C ATOM 759 O LEU A 54 13.728 3.211 -9.343 1.00 1.03 O ATOM 760 CB LEU A 54 11.679 2.260 -7.087 1.00 1.27 C ATOM 761 CG LEU A 54 10.963 1.859 -8.386 1.00 1.07 C ATOM 762 CD1 LEU A 54 11.748 0.794 -9.141 1.00 1.67 C ATOM 763 CD2 LEU A 54 9.555 1.369 -8.092 1.00 1.08 C ATOM 0 H LEU A 54 11.097 4.421 -8.141 1.00 0.90 H new ATOM 0 HA LEU A 54 13.088 3.641 -6.216 1.00 0.96 H new ATOM 0 HB2 LEU A 54 12.217 1.391 -6.709 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.925 2.516 -6.343 1.00 1.27 H new ATOM 0 HG LEU A 54 10.899 2.744 -9.018 1.00 1.07 H new ATOM 0 HD11 LEU A 54 11.217 0.530 -10.056 1.00 1.67 H new ATOM 0 HD12 LEU A 54 12.735 1.180 -9.393 1.00 1.67 H new ATOM 0 HD13 LEU A 54 11.854 -0.092 -8.515 1.00 1.67 H new ATOM 0 HD21 LEU A 54 9.065 1.090 -9.025 1.00 1.08 H new ATOM 0 HD22 LEU A 54 9.602 0.502 -7.433 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.987 2.163 -7.607 1.00 1.08 H new ATOM 775 N LEU A 55 14.920 2.648 -7.526 1.00 0.88 N ATOM 776 CA LEU A 55 16.030 2.103 -8.281 1.00 0.96 C ATOM 777 C LEU A 55 15.678 0.679 -8.682 1.00 0.93 C ATOM 778 O LEU A 55 15.092 -0.058 -7.888 1.00 0.85 O ATOM 779 CB LEU A 55 17.317 2.122 -7.454 1.00 1.08 C ATOM 780 CG LEU A 55 17.855 3.513 -7.096 1.00 1.26 C ATOM 781 CD1 LEU A 55 17.785 4.451 -8.291 1.00 1.52 C ATOM 782 CD2 LEU A 55 17.121 4.100 -5.897 1.00 1.58 C ATOM 0 H LEU A 55 15.066 2.669 -6.517 1.00 0.88 H new ATOM 0 HA LEU A 55 16.204 2.712 -9.168 1.00 0.96 H new ATOM 0 HB2 LEU A 55 17.142 1.571 -6.530 1.00 1.08 H new ATOM 0 HB3 LEU A 55 18.089 1.584 -8.004 1.00 1.08 H new ATOM 0 HG LEU A 55 18.903 3.399 -6.819 1.00 1.26 H new ATOM 0 HD11 LEU A 55 18.173 5.430 -8.008 1.00 1.52 H new ATOM 0 HD12 LEU A 55 18.383 4.046 -9.107 1.00 1.52 H new ATOM 0 HD13 LEU A 55 16.749 4.551 -8.615 1.00 1.52 H new ATOM 0 HD21 LEU A 55 17.526 5.086 -5.669 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.059 4.188 -6.128 1.00 1.58 H new ATOM 0 HD23 LEU A 55 17.251 3.446 -5.035 1.00 1.58 H new ATOM 794 N ILE A 56 16.004 0.298 -9.908 1.00 1.10 N ATOM 795 CA ILE A 56 15.623 -1.014 -10.412 1.00 1.16 C ATOM 796 C ILE A 56 16.246 -2.111 -9.561 1.00 1.07 C ATOM 797 O ILE A 56 17.452 -2.104 -9.297 1.00 1.14 O ATOM 798 CB ILE A 56 16.040 -1.221 -11.878 1.00 1.45 C ATOM 799 CG1 ILE A 56 15.611 -0.022 -12.731 1.00 1.68 C ATOM 800 CG2 ILE A 56 15.432 -2.509 -12.424 1.00 1.58 C ATOM 801 CD1 ILE A 56 16.060 -0.105 -14.175 1.00 2.11 C ATOM 0 H ILE A 56 16.527 0.873 -10.568 1.00 1.10 H new ATOM 0 HA ILE A 56 14.536 -1.067 -10.357 1.00 1.16 H new ATOM 0 HB ILE A 56 17.126 -1.304 -11.922 1.00 1.45 H new ATOM 0 HG12 ILE A 56 14.525 0.062 -12.703 1.00 1.68 H new ATOM 0 HG13 ILE A 56 16.012 0.889 -12.288 1.00 1.68 H new ATOM 0 HG21 ILE A 56 15.735 -2.643 -13.462 1.00 1.58 H new ATOM 0 HG22 ILE A 56 15.781 -3.355 -11.832 1.00 1.58 H new ATOM 0 HG23 ILE A 56 14.345 -2.450 -12.368 1.00 1.58 H new ATOM 0 HD11 ILE A 56 15.719 0.779 -14.714 1.00 2.11 H new ATOM 0 HD12 ILE A 56 17.148 -0.157 -14.215 1.00 2.11 H new ATOM 0 HD13 ILE A 56 15.637 -0.997 -14.637 1.00 2.11 H new ATOM 813 N GLY A 57 15.412 -3.038 -9.129 1.00 1.03 N ATOM 814 CA GLY A 57 15.867 -4.121 -8.278 1.00 1.00 C ATOM 815 C GLY A 57 15.905 -3.738 -6.810 1.00 0.86 C ATOM 816 O GLY A 57 16.323 -4.531 -5.966 1.00 0.90 O ATOM 0 H GLY A 57 14.417 -3.063 -9.353 1.00 1.03 H new ATOM 0 HA2 GLY A 57 15.209 -4.980 -8.408 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.863 -4.432 -8.594 1.00 1.00 H new ATOM 820 N ILE A 58 15.474 -2.524 -6.495 1.00 0.77 N ATOM 821 CA ILE A 58 15.487 -2.052 -5.121 1.00 0.66 C ATOM 822 C ILE A 58 14.137 -2.252 -4.447 1.00 0.61 C ATOM 823 O ILE A 58 13.090 -2.287 -5.093 1.00 0.69 O ATOM 824 CB ILE A 58 15.941 -0.569 -5.034 1.00 0.67 C ATOM 825 CG1 ILE A 58 17.371 -0.494 -4.494 1.00 0.72 C ATOM 826 CG2 ILE A 58 15.003 0.282 -4.181 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.520 -1.030 -3.082 1.00 0.71 C ATOM 0 H ILE A 58 15.112 -1.852 -7.171 1.00 0.77 H new ATOM 0 HA ILE A 58 16.217 -2.655 -4.581 1.00 0.66 H new ATOM 0 HB ILE A 58 15.908 -0.158 -6.043 1.00 0.67 H new ATOM 0 HG12 ILE A 58 18.030 -1.055 -5.157 1.00 0.72 H new ATOM 0 HG13 ILE A 58 17.704 0.544 -4.516 1.00 0.72 H new ATOM 0 HG21 ILE A 58 15.367 1.309 -4.154 1.00 0.60 H new ATOM 0 HG22 ILE A 58 14.002 0.263 -4.612 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.970 -0.118 -3.168 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.560 -0.944 -2.768 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.888 -0.454 -2.406 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.219 -2.077 -3.057 1.00 0.71 H new ATOM 839 N ALA A 59 14.198 -2.396 -3.137 1.00 0.57 N ATOM 840 CA ALA A 59 13.032 -2.638 -2.317 1.00 0.59 C ATOM 841 C ALA A 59 12.346 -1.335 -1.928 1.00 0.49 C ATOM 842 O ALA A 59 12.995 -0.295 -1.818 1.00 0.50 O ATOM 843 CB ALA A 59 13.461 -3.391 -1.076 1.00 0.68 C ATOM 0 H ALA A 59 15.069 -2.347 -2.609 1.00 0.57 H new ATOM 0 HA ALA A 59 12.314 -3.228 -2.887 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.591 -3.581 -0.447 1.00 0.68 H new ATOM 0 HB2 ALA A 59 13.914 -4.339 -1.364 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.187 -2.796 -0.522 1.00 0.68 H new ATOM 849 N ILE A 60 11.040 -1.411 -1.701 1.00 0.46 N ATOM 850 CA ILE A 60 10.240 -0.263 -1.264 1.00 0.42 C ATOM 851 C ILE A 60 10.863 0.398 -0.029 1.00 0.40 C ATOM 852 O ILE A 60 10.914 1.621 0.099 1.00 0.39 O ATOM 853 CB ILE A 60 8.808 -0.717 -0.913 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.968 0.473 -0.456 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.848 -1.802 0.160 1.00 0.62 C ATOM 856 CD1 ILE A 60 6.544 0.119 -0.108 1.00 0.69 C ATOM 0 H ILE A 60 10.501 -2.270 -1.814 1.00 0.46 H new ATOM 0 HA ILE A 60 10.213 0.457 -2.082 1.00 0.42 H new ATOM 0 HB ILE A 60 8.342 -1.135 -1.805 1.00 0.53 H new ATOM 0 HG12 ILE A 60 8.442 0.927 0.414 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.963 1.225 -1.245 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.832 -2.114 0.400 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.413 -2.658 -0.209 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.328 -1.410 1.057 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.013 1.017 0.207 1.00 0.69 H new ATOM 0 HD12 ILE A 60 6.051 -0.307 -0.982 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.538 -0.610 0.703 1.00 0.69 H new ATOM 868 N GLU A 61 11.376 -0.444 0.852 1.00 0.49 N ATOM 869 CA GLU A 61 11.932 -0.022 2.124 1.00 0.60 C ATOM 870 C GLU A 61 13.169 0.861 1.938 1.00 0.58 C ATOM 871 O GLU A 61 13.608 1.538 2.868 1.00 0.71 O ATOM 872 CB GLU A 61 12.287 -1.270 2.926 1.00 0.83 C ATOM 873 CG GLU A 61 11.089 -2.046 3.448 1.00 0.73 C ATOM 874 CD GLU A 61 11.485 -3.401 4.007 1.00 1.47 C ATOM 875 OE1 GLU A 61 11.175 -4.429 3.363 1.00 2.20 O ATOM 876 OE2 GLU A 61 12.132 -3.444 5.074 1.00 1.82 O ATOM 0 H GLU A 61 11.418 -1.452 0.701 1.00 0.49 H new ATOM 0 HA GLU A 61 11.192 0.577 2.655 1.00 0.60 H new ATOM 0 HB2 GLU A 61 12.887 -1.930 2.300 1.00 0.83 H new ATOM 0 HB3 GLU A 61 12.911 -0.978 3.771 1.00 0.83 H new ATOM 0 HG2 GLU A 61 10.592 -1.465 4.225 1.00 0.73 H new ATOM 0 HG3 GLU A 61 10.368 -2.184 2.642 1.00 0.73 H new ATOM 883 N ASP A 62 13.737 0.843 0.738 1.00 0.54 N ATOM 884 CA ASP A 62 14.942 1.612 0.456 1.00 0.60 C ATOM 885 C ASP A 62 14.673 2.765 -0.504 1.00 0.51 C ATOM 886 O ASP A 62 15.548 3.601 -0.733 1.00 0.65 O ATOM 887 CB ASP A 62 16.037 0.710 -0.114 1.00 0.75 C ATOM 888 CG ASP A 62 16.662 -0.175 0.942 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.562 0.306 1.666 1.00 1.22 O ATOM 890 OD2 ASP A 62 16.257 -1.346 1.063 1.00 1.98 O ATOM 0 H ASP A 62 13.383 0.306 -0.053 1.00 0.54 H new ATOM 0 HA ASP A 62 15.278 2.035 1.403 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.617 0.087 -0.904 1.00 0.75 H new ATOM 0 HB3 ASP A 62 16.810 1.327 -0.572 1.00 0.75 H new ATOM 895 N GLU A 63 13.476 2.819 -1.070 1.00 0.40 N ATOM 896 CA GLU A 63 13.166 3.858 -2.043 1.00 0.40 C ATOM 897 C GLU A 63 12.489 5.056 -1.388 1.00 0.34 C ATOM 898 O GLU A 63 12.718 6.200 -1.788 1.00 0.42 O ATOM 899 CB GLU A 63 12.325 3.307 -3.209 1.00 0.43 C ATOM 900 CG GLU A 63 11.047 2.596 -2.804 1.00 0.64 C ATOM 901 CD GLU A 63 9.864 3.522 -2.569 1.00 1.40 C ATOM 902 OE1 GLU A 63 9.984 4.740 -2.820 1.00 2.09 O ATOM 903 OE2 GLU A 63 8.799 3.024 -2.157 1.00 1.68 O ATOM 0 H GLU A 63 12.715 2.168 -0.877 1.00 0.40 H new ATOM 0 HA GLU A 63 14.113 4.205 -2.457 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.068 4.133 -3.873 1.00 0.43 H new ATOM 0 HB3 GLU A 63 12.940 2.615 -3.785 1.00 0.43 H new ATOM 0 HG2 GLU A 63 10.783 1.878 -3.580 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.234 2.027 -1.894 1.00 0.64 H new ATOM 910 N CYS A 64 11.689 4.805 -0.365 1.00 0.29 N ATOM 911 CA CYS A 64 10.892 5.863 0.228 1.00 0.32 C ATOM 912 C CYS A 64 11.344 6.169 1.651 1.00 0.40 C ATOM 913 O CYS A 64 11.952 5.331 2.319 1.00 0.60 O ATOM 914 CB CYS A 64 9.414 5.467 0.239 1.00 0.33 C ATOM 915 SG CYS A 64 8.944 4.404 1.643 1.00 0.47 S ATOM 0 H CYS A 64 11.575 3.888 0.067 1.00 0.29 H new ATOM 0 HA CYS A 64 11.029 6.759 -0.378 1.00 0.32 H new ATOM 0 HB2 CYS A 64 8.806 6.371 0.261 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.180 4.948 -0.691 1.00 0.33 H new ATOM 920 N LYS A 65 11.049 7.380 2.106 1.00 0.43 N ATOM 921 CA LYS A 65 11.293 7.761 3.491 1.00 0.51 C ATOM 922 C LYS A 65 9.949 7.934 4.204 1.00 0.45 C ATOM 923 O LYS A 65 9.813 8.685 5.168 1.00 0.60 O ATOM 924 CB LYS A 65 12.130 9.050 3.557 1.00 0.69 C ATOM 925 CG LYS A 65 12.582 9.435 4.964 1.00 1.41 C ATOM 926 CD LYS A 65 13.492 8.382 5.581 1.00 1.33 C ATOM 927 CE LYS A 65 14.875 8.390 4.950 1.00 1.77 C ATOM 928 NZ LYS A 65 15.595 9.665 5.210 1.00 2.32 N ATOM 0 H LYS A 65 10.639 8.118 1.533 1.00 0.43 H new ATOM 0 HA LYS A 65 11.862 6.978 3.993 1.00 0.51 H new ATOM 0 HB2 LYS A 65 13.010 8.930 2.925 1.00 0.69 H new ATOM 0 HB3 LYS A 65 11.546 9.870 3.138 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.106 10.390 4.927 1.00 1.41 H new ATOM 0 HG3 LYS A 65 11.708 9.575 5.600 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.581 8.561 6.653 1.00 1.33 H new ATOM 0 HD3 LYS A 65 13.043 7.397 5.459 1.00 1.33 H new ATOM 0 HE2 LYS A 65 15.458 7.557 5.343 1.00 1.77 H new ATOM 0 HE3 LYS A 65 14.784 8.237 3.875 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.614 9.525 5.058 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 15.246 10.399 4.561 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.429 9.963 6.192 1.00 2.32 H new ATOM 942 N ASN A 66 8.949 7.229 3.700 1.00 0.35 N ATOM 943 CA ASN A 66 7.618 7.251 4.288 1.00 0.30 C ATOM 944 C ASN A 66 7.377 5.955 5.045 1.00 0.29 C ATOM 945 O ASN A 66 8.312 5.181 5.255 1.00 0.41 O ATOM 946 CB ASN A 66 6.557 7.451 3.209 1.00 0.36 C ATOM 947 CG ASN A 66 6.478 8.882 2.723 1.00 0.59 C ATOM 948 OD1 ASN A 66 7.481 9.589 2.657 1.00 1.06 O ATOM 949 ND2 ASN A 66 5.279 9.321 2.398 1.00 1.02 N ATOM 0 H ASN A 66 9.035 6.630 2.879 1.00 0.35 H new ATOM 0 HA ASN A 66 7.549 8.087 4.984 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.776 6.797 2.365 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.585 7.151 3.601 1.00 0.36 H new ATOM 0 HD21 ASN A 66 5.157 10.281 2.077 1.00 1.02 H new ATOM 0 HD22 ASN A 66 4.473 8.700 2.467 1.00 1.02 H new ATOM 956 N THR A 67 6.140 5.705 5.444 1.00 0.28 N ATOM 957 CA THR A 67 5.839 4.535 6.239 1.00 0.27 C ATOM 958 C THR A 67 5.524 3.333 5.361 1.00 0.25 C ATOM 959 O THR A 67 4.657 3.386 4.488 1.00 0.26 O ATOM 960 CB THR A 67 4.665 4.778 7.205 1.00 0.29 C ATOM 961 OG1 THR A 67 4.912 5.960 7.979 1.00 0.34 O ATOM 962 CG2 THR A 67 4.490 3.584 8.136 1.00 0.31 C ATOM 0 H THR A 67 5.336 6.295 5.230 1.00 0.28 H new ATOM 0 HA THR A 67 6.734 4.327 6.826 1.00 0.27 H new ATOM 0 HB THR A 67 3.753 4.908 6.623 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.162 6.113 8.591 1.00 0.34 H new ATOM 0 HG21 THR A 67 3.656 3.770 8.813 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.286 2.690 7.547 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.402 3.437 8.715 1.00 0.31 H new ATOM 970 N PRO A 68 6.265 2.247 5.583 1.00 0.28 N ATOM 971 CA PRO A 68 6.010 0.965 4.946 1.00 0.30 C ATOM 972 C PRO A 68 4.620 0.448 5.297 1.00 0.25 C ATOM 973 O PRO A 68 4.337 0.141 6.454 1.00 0.28 O ATOM 974 CB PRO A 68 7.069 0.024 5.531 1.00 0.38 C ATOM 975 CG PRO A 68 8.033 0.871 6.291 1.00 0.45 C ATOM 976 CD PRO A 68 7.409 2.217 6.493 1.00 0.38 C ATOM 0 HA PRO A 68 6.057 1.039 3.860 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.608 -0.717 6.184 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.579 -0.524 4.738 1.00 0.38 H new ATOM 0 HG2 PRO A 68 8.268 0.412 7.251 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.971 0.964 5.744 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.094 2.354 7.527 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.114 3.017 6.266 1.00 0.38 H new ATOM 984 N THR A 69 3.751 0.365 4.311 1.00 0.23 N ATOM 985 CA THR A 69 2.400 -0.105 4.543 1.00 0.21 C ATOM 986 C THR A 69 2.053 -1.282 3.628 1.00 0.23 C ATOM 987 O THR A 69 2.436 -1.309 2.456 1.00 0.29 O ATOM 988 CB THR A 69 1.375 1.034 4.348 1.00 0.24 C ATOM 989 OG1 THR A 69 1.833 1.956 3.359 1.00 0.31 O ATOM 990 CG2 THR A 69 1.106 1.797 5.632 1.00 0.30 C ATOM 0 H THR A 69 3.955 0.616 3.344 1.00 0.23 H new ATOM 0 HA THR A 69 2.351 -0.447 5.577 1.00 0.21 H new ATOM 0 HB THR A 69 0.447 0.561 4.027 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.242 1.463 2.617 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.379 2.586 5.441 1.00 0.30 H new ATOM 0 HG22 THR A 69 0.711 1.115 6.385 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.034 2.239 5.994 1.00 0.30 H new ATOM 998 N CYS A 70 1.356 -2.264 4.188 1.00 0.23 N ATOM 999 CA CYS A 70 0.858 -3.405 3.427 1.00 0.27 C ATOM 1000 C CYS A 70 -0.634 -3.221 3.164 1.00 0.22 C ATOM 1001 O CYS A 70 -1.457 -3.366 4.073 1.00 0.27 O ATOM 1002 CB CYS A 70 1.109 -4.705 4.205 1.00 0.38 C ATOM 1003 SG CYS A 70 0.352 -6.201 3.479 1.00 1.26 S ATOM 0 H CYS A 70 1.120 -2.292 5.180 1.00 0.23 H new ATOM 0 HA CYS A 70 1.384 -3.467 2.475 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.185 -4.862 4.282 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.731 -4.582 5.220 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.978 -2.881 1.931 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.357 -2.564 1.579 1.00 0.19 C ATOM 1010 C CYS A 71 -3.104 -3.835 1.218 1.00 0.21 C ATOM 1011 O CYS A 71 -2.533 -4.761 0.643 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.414 -1.603 0.382 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.916 0.119 0.716 1.00 0.29 S ATOM 0 H CYS A 71 -0.320 -2.817 1.154 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.820 -2.086 2.442 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.775 -1.999 -0.407 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.433 -1.597 -0.006 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.381 -3.879 1.557 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.237 -4.957 1.129 1.00 0.24 C ATOM 1020 C GLU A 72 -5.597 -4.743 -0.341 1.00 0.25 C ATOM 1021 O GLU A 72 -5.908 -5.686 -1.076 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.474 -5.018 2.031 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.713 -5.502 1.317 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.808 -5.930 2.263 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.369 -5.058 2.960 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -9.128 -7.131 2.306 1.00 1.37 O ATOM 0 H GLU A 72 -4.844 -3.174 2.131 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.728 -5.917 1.215 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.268 -5.678 2.874 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.664 -4.026 2.442 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -8.088 -4.708 0.672 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.450 -6.340 0.671 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.523 -3.485 -0.755 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.702 -3.095 -2.145 1.00 0.24 C ATOM 1035 C ASP A 73 -5.151 -1.690 -2.326 1.00 0.22 C ATOM 1036 O ASP A 73 -5.016 -0.961 -1.350 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.176 -3.129 -2.528 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.386 -3.016 -4.020 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.499 -2.654 -4.451 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.429 -3.265 -4.767 1.00 1.03 O ATOM 0 H ASP A 73 -5.336 -2.701 -0.130 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.170 -3.794 -2.790 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.620 -4.058 -2.171 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.698 -2.313 -2.028 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.804 -1.311 -3.548 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.315 0.042 -3.801 1.00 0.30 C ATOM 1047 C VAL A 74 -4.916 0.583 -5.093 1.00 0.43 C ATOM 1048 O VAL A 74 -5.026 -0.137 -6.086 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.768 0.126 -3.894 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.300 1.521 -3.526 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.093 -0.901 -3.000 1.00 1.07 C ATOM 0 H VAL A 74 -4.850 -1.911 -4.372 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.626 0.643 -2.947 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.486 -0.093 -4.924 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.213 1.570 -3.594 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.740 2.245 -4.212 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.610 1.752 -2.507 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.011 -0.810 -3.094 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.383 -0.728 -1.964 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.400 -1.903 -3.301 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.310 1.847 -5.072 1.00 0.33 N ATOM 1062 CA GLU A 75 -5.908 2.487 -6.235 1.00 0.46 C ATOM 1063 C GLU A 75 -4.917 3.461 -6.873 1.00 0.50 C ATOM 1064 O GLU A 75 -4.001 3.953 -6.202 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.197 3.211 -5.829 1.00 0.54 C ATOM 1066 CG GLU A 75 -7.940 3.856 -6.986 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.261 4.466 -6.567 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -9.256 5.551 -5.951 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.313 3.869 -6.869 1.00 1.85 O ATOM 0 H GLU A 75 -5.226 2.454 -4.257 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.157 1.723 -6.972 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -7.861 2.500 -5.337 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -6.953 3.979 -5.095 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -7.312 4.629 -7.429 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -8.119 3.109 -7.759 1.00 0.98 H new ATOM 1076 N ASP A 76 -5.105 3.718 -8.169 1.00 0.61 N ATOM 1077 CA ASP A 76 -4.241 4.619 -8.937 1.00 0.65 C ATOM 1078 C ASP A 76 -2.845 4.013 -9.058 1.00 0.67 C ATOM 1079 O ASP A 76 -2.693 2.789 -9.013 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.168 6.006 -8.274 1.00 0.61 C ATOM 1081 CG ASP A 76 -3.951 7.123 -9.273 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -2.800 7.313 -9.713 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -4.929 7.810 -9.623 1.00 1.15 O ATOM 0 H ASP A 76 -5.861 3.307 -8.717 1.00 0.61 H new ATOM 0 HA ASP A 76 -4.665 4.745 -9.933 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -5.091 6.190 -7.725 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -3.357 6.013 -7.546 1.00 0.61 H new ATOM 1088 N ASP A 77 -1.831 4.857 -9.201 1.00 0.70 N ATOM 1089 CA ASP A 77 -0.438 4.402 -9.178 1.00 0.77 C ATOM 1090 C ASP A 77 -0.042 3.957 -7.775 1.00 0.67 C ATOM 1091 O ASP A 77 1.095 3.548 -7.534 1.00 0.81 O ATOM 1092 CB ASP A 77 0.512 5.513 -9.633 1.00 0.89 C ATOM 1093 CG ASP A 77 0.708 5.559 -11.135 1.00 1.36 C ATOM 1094 OD1 ASP A 77 1.441 4.703 -11.670 1.00 1.59 O ATOM 1095 OD2 ASP A 77 0.107 6.435 -11.791 1.00 2.12 O ATOM 0 H ASP A 77 -1.943 5.862 -9.334 1.00 0.70 H new ATOM 0 HA ASP A 77 -0.359 3.560 -9.866 1.00 0.77 H new ATOM 0 HB2 ASP A 77 0.124 6.474 -9.295 1.00 0.89 H new ATOM 0 HB3 ASP A 77 1.480 5.373 -9.152 1.00 0.89 H new ATOM 1100 N GLY A 78 -0.989 4.039 -6.853 1.00 0.51 N ATOM 1101 CA GLY A 78 -0.722 3.690 -5.480 1.00 0.44 C ATOM 1102 C GLY A 78 -0.850 4.882 -4.558 1.00 0.33 C ATOM 1103 O GLY A 78 -0.252 4.913 -3.489 1.00 0.35 O ATOM 0 H GLY A 78 -1.945 4.344 -7.037 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.414 2.910 -5.163 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.283 3.276 -5.400 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.620 5.880 -4.987 1.00 0.27 N ATOM 1108 CA LEU A 79 -1.810 7.093 -4.197 1.00 0.22 C ATOM 1109 C LEU A 79 -2.827 6.865 -3.089 1.00 0.19 C ATOM 1110 O LEU A 79 -2.826 7.559 -2.078 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.291 8.249 -5.075 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.465 8.509 -6.337 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -1.986 9.736 -7.069 1.00 1.10 C ATOM 1114 CD2 LEU A 79 0.008 8.677 -5.995 1.00 0.94 C ATOM 0 H LEU A 79 -2.121 5.872 -5.875 1.00 0.27 H new ATOM 0 HA LEU A 79 -0.845 7.347 -3.759 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.321 8.052 -5.371 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.300 9.159 -4.474 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.564 7.645 -6.994 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.388 9.907 -7.964 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.026 9.576 -7.353 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -1.918 10.606 -6.415 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.575 8.861 -6.908 1.00 0.94 H new ATOM 0 HD22 LEU A 79 0.130 9.521 -5.316 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.376 7.770 -5.516 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.707 5.901 -3.295 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.732 5.585 -2.317 1.00 0.20 C ATOM 1128 C VAL A 80 -4.640 4.119 -1.934 1.00 0.20 C ATOM 1129 O VAL A 80 -4.957 3.241 -2.738 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.148 5.884 -2.858 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.201 5.604 -1.796 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.252 7.321 -3.348 1.00 0.33 C ATOM 0 H VAL A 80 -3.732 5.322 -4.134 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.562 6.213 -1.443 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.330 5.223 -3.705 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.190 5.821 -2.198 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.151 4.556 -1.502 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.017 6.234 -0.926 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.258 7.505 -3.724 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.042 8.003 -2.524 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.530 7.486 -4.148 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.187 3.855 -0.720 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.038 2.487 -0.279 1.00 0.21 C ATOM 1144 C GLY A 81 -5.164 2.066 0.631 1.00 0.20 C ATOM 1145 O GLY A 81 -5.533 2.793 1.555 1.00 0.26 O ATOM 0 H GLY A 81 -3.921 4.561 -0.034 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.005 1.827 -1.146 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.088 2.375 0.243 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.711 0.892 0.368 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.842 0.385 1.116 1.00 0.17 C ATOM 1151 C ILE A 82 -6.366 -0.521 2.229 1.00 0.17 C ATOM 1152 O ILE A 82 -5.719 -1.542 1.977 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.834 -0.397 0.217 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.701 0.553 -0.613 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.707 -1.316 1.055 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -7.928 1.324 -1.654 1.00 0.30 C ATOM 0 H ILE A 82 -5.383 0.267 -0.368 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.365 1.248 1.529 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.248 -1.005 -0.472 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.485 -0.022 -1.107 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.196 1.258 0.056 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.396 -1.856 0.405 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -8.078 -2.029 1.588 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.274 -0.724 1.773 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -8.607 1.976 -2.203 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.162 1.926 -1.166 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.455 0.627 -2.346 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.669 -0.123 3.452 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.392 -0.942 4.627 1.00 0.21 C ATOM 1170 C ASN A 83 -4.913 -1.271 4.719 1.00 0.22 C ATOM 1171 O ASN A 83 -4.532 -2.403 5.010 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.220 -2.228 4.583 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.678 -1.986 4.896 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -9.026 -1.065 5.637 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.542 -2.808 4.333 1.00 0.29 N ATOM 0 H ASN A 83 -7.112 0.772 3.662 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.671 -0.373 5.514 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -7.134 -2.679 3.594 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.812 -2.944 5.297 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.541 -2.694 4.505 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -9.211 -3.558 3.726 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.089 -0.277 4.454 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.656 -0.448 4.501 1.00 0.23 C ATOM 1184 C CYS A 84 -2.169 -0.428 5.938 1.00 0.25 C ATOM 1185 O CYS A 84 -2.120 0.621 6.584 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.957 0.645 3.705 1.00 0.26 C ATOM 1187 SG CYS A 84 -0.827 0.029 2.417 1.00 0.81 S ATOM 0 H CYS A 84 -4.393 0.663 4.202 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.415 -1.413 4.056 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.712 1.277 3.237 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.395 1.276 4.393 1.00 0.26 H new ATOM 1192 N THR A 85 -1.834 -1.598 6.437 1.00 0.25 N ATOM 1193 CA THR A 85 -1.308 -1.732 7.777 1.00 0.28 C ATOM 1194 C THR A 85 0.188 -1.454 7.772 1.00 0.24 C ATOM 1195 O THR A 85 0.924 -2.019 6.958 1.00 0.23 O ATOM 1196 CB THR A 85 -1.571 -3.145 8.322 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.950 -3.486 8.130 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.228 -3.233 9.799 1.00 0.44 C ATOM 0 H THR A 85 -1.918 -2.478 5.928 1.00 0.25 H new ATOM 0 HA THR A 85 -1.810 -1.011 8.422 1.00 0.28 H new ATOM 0 HB THR A 85 -0.936 -3.845 7.779 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.115 -4.388 8.476 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.424 -4.243 10.158 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.174 -2.994 9.943 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.840 -2.524 10.357 1.00 0.44 H new ATOM 1206 N PRO A 86 0.653 -0.555 8.653 1.00 0.26 N ATOM 1207 CA PRO A 86 2.073 -0.228 8.768 1.00 0.28 C ATOM 1208 C PRO A 86 2.878 -1.454 9.162 1.00 0.33 C ATOM 1209 O PRO A 86 2.635 -2.060 10.208 1.00 0.39 O ATOM 1210 CB PRO A 86 2.113 0.833 9.874 1.00 0.37 C ATOM 1211 CG PRO A 86 0.726 1.367 9.930 1.00 0.35 C ATOM 1212 CD PRO A 86 -0.156 0.204 9.617 1.00 0.29 C ATOM 0 HA PRO A 86 2.504 0.124 7.831 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.410 0.400 10.829 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.832 1.619 9.644 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.502 1.777 10.915 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.585 2.173 9.210 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.385 -0.383 10.506 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -1.108 0.519 9.189 1.00 0.29 H new ATOM 1220 N ILE A 87 3.813 -1.831 8.314 1.00 0.37 N ATOM 1221 CA ILE A 87 4.563 -3.044 8.506 1.00 0.47 C ATOM 1222 C ILE A 87 5.986 -2.753 8.950 1.00 0.57 C ATOM 1223 O ILE A 87 6.580 -1.748 8.563 1.00 0.56 O ATOM 1224 CB ILE A 87 4.581 -3.892 7.224 1.00 0.47 C ATOM 1225 CG1 ILE A 87 4.835 -3.021 5.990 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.273 -4.651 7.097 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.025 -3.811 4.712 1.00 0.49 C ATOM 0 H ILE A 87 4.069 -1.305 7.479 1.00 0.37 H new ATOM 0 HA ILE A 87 4.064 -3.608 9.294 1.00 0.47 H new ATOM 0 HB ILE A 87 5.399 -4.609 7.288 1.00 0.47 H new ATOM 0 HG12 ILE A 87 3.997 -2.336 5.861 1.00 0.41 H new ATOM 0 HG13 ILE A 87 5.721 -2.411 6.164 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.288 -5.252 6.188 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.146 -5.304 7.961 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.445 -3.944 7.051 1.00 0.53 H new ATOM 0 HD11 ILE A 87 5.200 -3.125 3.883 1.00 0.49 H new ATOM 0 HD12 ILE A 87 5.882 -4.476 4.820 1.00 0.49 H new ATOM 0 HD13 ILE A 87 4.130 -4.401 4.512 1.00 0.49 H new ATOM 1239 N PRO A 88 6.541 -3.642 9.777 1.00 0.73 N ATOM 1240 CA PRO A 88 7.865 -3.493 10.334 1.00 0.86 C ATOM 1241 C PRO A 88 8.944 -4.062 9.421 1.00 0.92 C ATOM 1242 O PRO A 88 8.673 -4.906 8.562 1.00 0.96 O ATOM 1243 CB PRO A 88 7.746 -4.285 11.622 1.00 1.05 C ATOM 1244 CG PRO A 88 6.862 -5.410 11.275 1.00 1.04 C ATOM 1245 CD PRO A 88 5.918 -4.893 10.231 1.00 0.85 C ATOM 0 HA PRO A 88 8.164 -2.454 10.475 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.719 -4.635 11.965 1.00 1.05 H new ATOM 0 HB3 PRO A 88 7.324 -3.680 12.424 1.00 1.05 H new ATOM 0 HG2 PRO A 88 7.437 -6.255 10.896 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.318 -5.763 12.151 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.802 -5.602 9.411 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.924 -4.717 10.643 1.00 0.85 H new