USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 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 Set 1.1: A 27 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.519) USER MOD Set 1.2: A 29 THR OG1 : rot 70:sc= 0.332 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -154:sc= 1.21 (180deg=-0.127) USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 6 SER OG : rot 67:sc= -1.85! USER MOD Single : A 10 SER OG : rot 148:sc= -0.837! USER MOD Single : A 12 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.0076) USER MOD Single : A 13 THR OG1 : rot 155:sc= 0.948 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0947) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.588) USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00803 F(o=-1.3!,f=-0.008) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 48 GLN : amide:sc= -2.38! C(o=-2.4!,f=-4.9!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.911 K(o=-0.91,f=-1.9) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0674 (180deg=-0.264) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -52:sc= -0.212 USER MOD Single : A 83 ASN : amide:sc= -0.472 K(o=-0.47,f=-7.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 6.033 -5.974 -3.550 1.00 0.81 N ATOM 29 CA TRP A 4 7.291 -5.685 -2.879 1.00 0.60 C ATOM 30 C TRP A 4 7.676 -6.819 -1.942 1.00 0.62 C ATOM 31 O TRP A 4 6.984 -7.840 -1.878 1.00 0.74 O ATOM 32 CB TRP A 4 7.184 -4.378 -2.096 1.00 0.45 C ATOM 33 CG TRP A 4 6.937 -3.179 -2.956 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.725 -2.660 -3.306 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.923 -2.348 -3.578 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.897 -1.554 -4.099 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.236 -1.342 -4.281 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.319 -2.355 -3.604 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.899 -0.355 -5.000 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.975 -1.373 -4.320 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.267 -0.384 -5.008 1.00 0.52 C ATOM 0 HA TRP A 4 8.066 -5.584 -3.638 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.376 -4.465 -1.369 1.00 0.45 H new ATOM 0 HB3 TRP A 4 8.105 -4.226 -1.532 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.769 -3.061 -3.003 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.148 -0.982 -4.490 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.875 -3.114 -3.074 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.353 0.409 -5.534 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.055 -1.369 -4.349 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.810 0.372 -5.556 1.00 0.52 H new ATOM 52 N GLU A 5 8.769 -6.628 -1.209 1.00 0.66 N ATOM 53 CA GLU A 5 9.262 -7.638 -0.284 1.00 0.73 C ATOM 54 C GLU A 5 8.219 -7.970 0.775 1.00 0.67 C ATOM 55 O GLU A 5 7.960 -7.183 1.686 1.00 0.78 O ATOM 56 CB GLU A 5 10.550 -7.162 0.394 1.00 0.96 C ATOM 57 CG GLU A 5 11.798 -7.351 -0.449 1.00 1.49 C ATOM 58 CD GLU A 5 11.771 -6.538 -1.721 1.00 2.14 C ATOM 59 OE1 GLU A 5 11.506 -7.111 -2.795 1.00 2.65 O ATOM 60 OE2 GLU A 5 12.014 -5.321 -1.652 1.00 2.73 O ATOM 0 H GLU A 5 9.331 -5.778 -1.240 1.00 0.66 H new ATOM 0 HA GLU A 5 9.471 -8.539 -0.860 1.00 0.73 H new ATOM 0 HB2 GLU A 5 10.449 -6.106 0.643 1.00 0.96 H new ATOM 0 HB3 GLU A 5 10.674 -7.700 1.334 1.00 0.96 H new ATOM 0 HG2 GLU A 5 12.673 -7.071 0.137 1.00 1.49 H new ATOM 0 HG3 GLU A 5 11.906 -8.406 -0.699 1.00 1.49 H new ATOM 67 N SER A 6 7.624 -9.143 0.642 1.00 0.74 N ATOM 68 CA SER A 6 6.642 -9.617 1.596 1.00 0.87 C ATOM 69 C SER A 6 7.175 -10.822 2.367 1.00 0.88 C ATOM 70 O SER A 6 6.482 -11.388 3.212 1.00 0.90 O ATOM 71 CB SER A 6 5.347 -9.968 0.869 1.00 1.16 C ATOM 72 OG SER A 6 4.859 -8.847 0.151 1.00 1.75 O ATOM 0 H SER A 6 7.808 -9.789 -0.126 1.00 0.74 H new ATOM 0 HA SER A 6 6.438 -8.825 2.317 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.521 -10.798 0.184 1.00 1.16 H new ATOM 0 HB3 SER A 6 4.598 -10.300 1.588 1.00 1.16 H new ATOM 0 HG SER A 6 5.478 -8.630 -0.577 1.00 1.75 H new ATOM 78 N LYS A 7 8.423 -11.190 2.084 1.00 0.95 N ATOM 79 CA LYS A 7 9.035 -12.380 2.678 1.00 1.09 C ATOM 80 C LYS A 7 9.197 -12.239 4.190 1.00 1.03 C ATOM 81 O LYS A 7 9.405 -13.223 4.894 1.00 1.09 O ATOM 82 CB LYS A 7 10.398 -12.681 2.031 1.00 1.37 C ATOM 83 CG LYS A 7 11.554 -11.798 2.498 1.00 1.65 C ATOM 84 CD LYS A 7 11.388 -10.349 2.080 1.00 2.11 C ATOM 85 CE LYS A 7 12.606 -9.516 2.454 1.00 2.79 C ATOM 86 NZ LYS A 7 12.893 -9.550 3.916 1.00 3.24 N ATOM 0 H LYS A 7 9.033 -10.680 1.445 1.00 0.95 H new ATOM 0 HA LYS A 7 8.360 -13.214 2.485 1.00 1.09 H new ATOM 0 HB2 LYS A 7 10.654 -13.721 2.231 1.00 1.37 H new ATOM 0 HB3 LYS A 7 10.299 -12.579 0.950 1.00 1.37 H new ATOM 0 HG2 LYS A 7 11.632 -11.852 3.584 1.00 1.65 H new ATOM 0 HG3 LYS A 7 12.489 -12.185 2.092 1.00 1.65 H new ATOM 0 HD2 LYS A 7 11.227 -10.296 1.003 1.00 2.11 H new ATOM 0 HD3 LYS A 7 10.501 -9.932 2.556 1.00 2.11 H new ATOM 0 HE2 LYS A 7 13.475 -9.883 1.908 1.00 2.79 H new ATOM 0 HE3 LYS A 7 12.446 -8.484 2.142 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 13.400 -8.685 4.190 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 11.999 -9.609 4.444 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 13.480 -10.380 4.135 1.00 3.24 H new ATOM 100 N THR A 8 9.092 -11.016 4.686 1.00 1.01 N ATOM 101 CA THR A 8 9.254 -10.751 6.105 1.00 1.08 C ATOM 102 C THR A 8 7.929 -10.933 6.849 1.00 0.93 C ATOM 103 O THR A 8 7.836 -10.671 8.047 1.00 1.03 O ATOM 104 CB THR A 8 9.751 -9.310 6.323 1.00 1.25 C ATOM 105 OG1 THR A 8 10.545 -8.893 5.202 1.00 2.05 O ATOM 106 CG2 THR A 8 10.579 -9.203 7.594 1.00 1.66 C ATOM 0 H THR A 8 8.894 -10.189 4.123 1.00 1.01 H new ATOM 0 HA THR A 8 9.985 -11.459 6.495 1.00 1.08 H new ATOM 0 HB THR A 8 8.879 -8.663 6.420 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.857 -7.975 5.345 1.00 2.05 H new ATOM 0 HG21 THR A 8 10.917 -8.175 7.723 1.00 1.66 H new ATOM 0 HG22 THR A 8 9.971 -9.495 8.450 1.00 1.66 H new ATOM 0 HG23 THR A 8 11.444 -9.863 7.521 1.00 1.66 H new ATOM 114 N GLY A 9 6.903 -11.389 6.131 1.00 0.79 N ATOM 115 CA GLY A 9 5.567 -11.432 6.699 1.00 0.79 C ATOM 116 C GLY A 9 4.958 -10.049 6.707 1.00 0.69 C ATOM 117 O GLY A 9 3.972 -9.777 7.396 1.00 0.88 O ATOM 0 H GLY A 9 6.974 -11.727 5.171 1.00 0.79 H new ATOM 0 HA2 GLY A 9 4.940 -12.110 6.120 1.00 0.79 H new ATOM 0 HA3 GLY A 9 5.608 -11.825 7.715 1.00 0.79 H new ATOM 121 N SER A 10 5.574 -9.175 5.923 1.00 0.61 N ATOM 122 CA SER A 10 5.219 -7.772 5.868 1.00 0.73 C ATOM 123 C SER A 10 3.886 -7.552 5.169 1.00 0.64 C ATOM 124 O SER A 10 3.156 -6.614 5.484 1.00 0.73 O ATOM 125 CB SER A 10 6.334 -7.019 5.151 1.00 0.96 C ATOM 126 OG SER A 10 6.868 -7.809 4.098 1.00 1.72 O ATOM 0 H SER A 10 6.343 -9.428 5.302 1.00 0.61 H new ATOM 0 HA SER A 10 5.105 -7.396 6.885 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.949 -6.081 4.751 1.00 0.96 H new ATOM 0 HB3 SER A 10 7.123 -6.764 5.859 1.00 0.96 H new ATOM 0 HG SER A 10 7.158 -7.225 3.366 1.00 1.72 H new ATOM 132 N CYS A 11 3.559 -8.423 4.233 1.00 0.52 N ATOM 133 CA CYS A 11 2.315 -8.290 3.497 1.00 0.44 C ATOM 134 C CYS A 11 1.865 -9.635 2.941 1.00 0.41 C ATOM 135 O CYS A 11 2.689 -10.456 2.546 1.00 0.43 O ATOM 136 CB CYS A 11 2.499 -7.287 2.360 1.00 0.41 C ATOM 137 SG CYS A 11 0.934 -6.626 1.719 1.00 1.19 S ATOM 0 H CYS A 11 4.131 -9.224 3.966 1.00 0.52 H new ATOM 0 HA CYS A 11 1.544 -7.931 4.178 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.117 -6.461 2.711 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.042 -7.768 1.546 1.00 0.41 H new ATOM 142 N ASN A 12 0.554 -9.861 2.930 1.00 0.46 N ATOM 143 CA ASN A 12 -0.003 -11.107 2.403 1.00 0.53 C ATOM 144 C ASN A 12 -0.334 -10.951 0.930 1.00 0.47 C ATOM 145 O ASN A 12 -0.277 -11.907 0.159 1.00 0.57 O ATOM 146 CB ASN A 12 -1.275 -11.507 3.148 1.00 0.69 C ATOM 147 CG ASN A 12 -1.237 -11.159 4.620 1.00 0.90 C ATOM 148 OD1 ASN A 12 -0.752 -11.932 5.447 1.00 1.66 O ATOM 149 ND2 ASN A 12 -1.770 -9.993 4.953 1.00 1.03 N ATOM 0 H ASN A 12 -0.142 -9.201 3.278 1.00 0.46 H new ATOM 0 HA ASN A 12 0.749 -11.884 2.540 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -2.130 -11.013 2.686 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -1.430 -12.580 3.039 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -1.791 -9.702 5.930 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -2.160 -9.386 4.232 1.00 1.03 H new ATOM 156 N THR A 13 -0.685 -9.734 0.550 1.00 0.38 N ATOM 157 CA THR A 13 -1.101 -9.443 -0.811 1.00 0.37 C ATOM 158 C THR A 13 0.081 -9.001 -1.664 1.00 0.35 C ATOM 159 O THR A 13 0.001 -8.977 -2.889 1.00 0.44 O ATOM 160 CB THR A 13 -2.184 -8.350 -0.809 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.756 -7.256 0.015 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.502 -8.899 -0.285 1.00 0.52 C ATOM 0 H THR A 13 -0.690 -8.925 1.171 1.00 0.38 H new ATOM 0 HA THR A 13 -1.510 -10.356 -1.243 1.00 0.37 H new ATOM 0 HB THR A 13 -2.335 -8.006 -1.832 1.00 0.41 H new ATOM 0 HG1 THR A 13 -2.203 -6.434 -0.275 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.254 -8.110 -0.292 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.832 -9.720 -0.921 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.366 -9.261 0.734 1.00 0.52 H new ATOM 170 N GLY A 14 1.175 -8.646 -1.002 1.00 0.29 N ATOM 171 CA GLY A 14 2.374 -8.240 -1.708 1.00 0.31 C ATOM 172 C GLY A 14 2.374 -6.764 -2.049 1.00 0.30 C ATOM 173 O GLY A 14 3.386 -6.221 -2.491 1.00 0.43 O ATOM 0 H GLY A 14 1.253 -8.632 0.015 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.247 -8.468 -1.096 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.466 -8.822 -2.625 1.00 0.31 H new ATOM 177 N LYS A 15 1.244 -6.107 -1.822 1.00 0.24 N ATOM 178 CA LYS A 15 1.100 -4.704 -2.171 1.00 0.25 C ATOM 179 C LYS A 15 1.565 -3.809 -1.034 1.00 0.24 C ATOM 180 O LYS A 15 0.784 -3.438 -0.161 1.00 0.25 O ATOM 181 CB LYS A 15 -0.357 -4.382 -2.519 1.00 0.31 C ATOM 182 CG LYS A 15 -0.814 -4.951 -3.850 1.00 0.41 C ATOM 183 CD LYS A 15 -2.282 -4.649 -4.106 1.00 0.57 C ATOM 184 CE LYS A 15 -2.701 -5.051 -5.510 1.00 0.69 C ATOM 185 NZ LYS A 15 -2.473 -6.497 -5.771 1.00 1.64 N ATOM 0 H LYS A 15 0.416 -6.525 -1.398 1.00 0.24 H new ATOM 0 HA LYS A 15 1.725 -4.513 -3.043 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.002 -4.768 -1.730 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.485 -3.300 -2.535 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.209 -4.532 -4.654 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -0.655 -6.029 -3.861 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -2.895 -5.179 -3.377 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.465 -3.584 -3.962 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -3.757 -4.820 -5.653 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -2.144 -4.460 -6.237 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -2.910 -6.759 -6.678 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -1.451 -6.686 -5.812 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -2.899 -7.059 -5.006 1.00 1.64 H new ATOM 199 N LEU A 16 2.844 -3.481 -1.039 1.00 0.26 N ATOM 200 CA LEU A 16 3.373 -2.513 -0.105 1.00 0.30 C ATOM 201 C LEU A 16 3.286 -1.127 -0.716 1.00 0.33 C ATOM 202 O LEU A 16 3.487 -0.960 -1.921 1.00 0.55 O ATOM 203 CB LEU A 16 4.828 -2.822 0.265 1.00 0.35 C ATOM 204 CG LEU A 16 5.039 -3.988 1.233 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.656 -5.299 0.583 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.481 -4.029 1.715 1.00 0.43 C ATOM 0 H LEU A 16 3.533 -3.873 -1.681 1.00 0.26 H new ATOM 0 HA LEU A 16 2.779 -2.561 0.807 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.379 -3.032 -0.652 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.269 -1.927 0.704 1.00 0.35 H new ATOM 0 HG LEU A 16 4.393 -3.835 2.098 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.814 -6.115 1.289 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.606 -5.268 0.293 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.272 -5.460 -0.302 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.611 -4.865 2.402 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.147 -4.154 0.861 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.720 -3.097 2.228 1.00 0.43 H new ATOM 218 N ALA A 17 2.969 -0.142 0.097 1.00 0.27 N ATOM 219 CA ALA A 17 2.916 1.228 -0.373 1.00 0.27 C ATOM 220 C ALA A 17 3.476 2.175 0.672 1.00 0.24 C ATOM 221 O ALA A 17 3.354 1.935 1.878 1.00 0.28 O ATOM 222 CB ALA A 17 1.490 1.612 -0.737 1.00 0.29 C ATOM 0 H ALA A 17 2.744 -0.263 1.085 1.00 0.27 H new ATOM 0 HA ALA A 17 3.532 1.308 -1.269 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.469 2.644 -1.088 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.126 0.953 -1.525 1.00 0.29 H new ATOM 0 HB3 ALA A 17 0.852 1.514 0.141 1.00 0.29 H new ATOM 228 N CYS A 18 4.125 3.230 0.202 1.00 0.26 N ATOM 229 CA CYS A 18 4.608 4.282 1.078 1.00 0.26 C ATOM 230 C CYS A 18 3.448 5.199 1.420 1.00 0.24 C ATOM 231 O CYS A 18 3.051 6.036 0.608 1.00 0.32 O ATOM 232 CB CYS A 18 5.718 5.076 0.393 1.00 0.36 C ATOM 233 SG CYS A 18 7.038 4.042 -0.313 1.00 0.74 S ATOM 0 H CYS A 18 4.329 3.379 -0.786 1.00 0.26 H new ATOM 0 HA CYS A 18 5.016 3.842 1.988 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.281 5.682 -0.401 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.157 5.765 1.115 1.00 0.36 H new ATOM 238 N CYS A 19 2.902 5.034 2.608 1.00 0.21 N ATOM 239 CA CYS A 19 1.663 5.701 2.957 1.00 0.21 C ATOM 240 C CYS A 19 1.817 6.525 4.217 1.00 0.23 C ATOM 241 O CYS A 19 2.573 6.165 5.121 1.00 0.30 O ATOM 242 CB CYS A 19 0.548 4.675 3.144 1.00 0.23 C ATOM 243 SG CYS A 19 0.246 3.632 1.685 1.00 0.50 S ATOM 0 H CYS A 19 3.294 4.447 3.345 1.00 0.21 H new ATOM 0 HA CYS A 19 1.404 6.374 2.139 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.797 4.034 3.990 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.373 5.198 3.400 1.00 0.23 H new ATOM 248 N ASP A 20 1.098 7.631 4.267 1.00 0.23 N ATOM 249 CA ASP A 20 1.061 8.454 5.457 1.00 0.28 C ATOM 250 C ASP A 20 -0.133 8.062 6.287 1.00 0.28 C ATOM 251 O ASP A 20 -1.269 8.191 5.851 1.00 0.34 O ATOM 252 CB ASP A 20 0.992 9.941 5.112 1.00 0.37 C ATOM 253 CG ASP A 20 2.317 10.481 4.619 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.398 10.874 3.436 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.289 10.496 5.404 1.00 1.33 O ATOM 0 H ASP A 20 0.531 7.979 3.494 1.00 0.23 H new ATOM 0 HA ASP A 20 1.980 8.291 6.019 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.231 10.099 4.347 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.680 10.501 5.993 1.00 0.37 H new ATOM 260 N THR A 21 0.121 7.584 7.481 1.00 0.31 N ATOM 261 CA THR A 21 -0.941 7.124 8.355 1.00 0.36 C ATOM 262 C THR A 21 -1.626 8.302 9.037 1.00 0.42 C ATOM 263 O THR A 21 -2.569 8.131 9.811 1.00 0.52 O ATOM 264 CB THR A 21 -0.399 6.145 9.409 1.00 0.41 C ATOM 265 OG1 THR A 21 0.666 6.761 10.149 1.00 0.41 O ATOM 266 CG2 THR A 21 0.112 4.873 8.750 1.00 0.43 C ATOM 0 H THR A 21 1.058 7.502 7.875 1.00 0.31 H new ATOM 0 HA THR A 21 -1.675 6.600 7.742 1.00 0.36 H new ATOM 0 HB THR A 21 -1.213 5.887 10.086 1.00 0.41 H new ATOM 0 HG1 THR A 21 1.005 6.132 10.820 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.491 4.194 9.514 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.702 4.391 8.208 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.914 5.120 8.055 1.00 0.43 H new ATOM 274 N ASN A 22 -1.146 9.501 8.732 1.00 0.43 N ATOM 275 CA ASN A 22 -1.705 10.718 9.285 1.00 0.56 C ATOM 276 C ASN A 22 -2.545 11.414 8.230 1.00 0.50 C ATOM 277 O ASN A 22 -3.383 12.261 8.537 1.00 0.63 O ATOM 278 CB ASN A 22 -0.586 11.649 9.755 1.00 0.70 C ATOM 279 CG ASN A 22 0.283 11.033 10.835 1.00 1.35 C ATOM 280 OD1 ASN A 22 -0.178 10.218 11.638 1.00 1.87 O ATOM 281 ND2 ASN A 22 1.548 11.417 10.861 1.00 2.20 N ATOM 0 H ASN A 22 -0.362 9.652 8.097 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.332 10.465 10.140 1.00 0.56 H new ATOM 0 HB2 ASN A 22 0.038 11.917 8.903 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.024 12.573 10.132 1.00 0.70 H new ATOM 0 HD21 ASN A 22 2.182 11.037 11.564 1.00 2.20 H new ATOM 0 HD22 ASN A 22 1.890 12.094 10.178 1.00 2.20 H new ATOM 288 N LYS A 23 -2.323 11.030 6.981 1.00 0.40 N ATOM 289 CA LYS A 23 -3.010 11.632 5.854 1.00 0.39 C ATOM 290 C LYS A 23 -3.809 10.590 5.105 1.00 0.32 C ATOM 291 O LYS A 23 -3.340 9.484 4.863 1.00 0.39 O ATOM 292 CB LYS A 23 -2.016 12.301 4.918 1.00 0.47 C ATOM 293 CG LYS A 23 -1.550 13.652 5.420 1.00 0.95 C ATOM 294 CD LYS A 23 -0.768 14.407 4.366 1.00 1.53 C ATOM 295 CE LYS A 23 0.469 13.633 3.988 1.00 1.84 C ATOM 296 NZ LYS A 23 1.170 14.221 2.815 1.00 2.60 N ATOM 0 H LYS A 23 -1.664 10.295 6.724 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.694 12.390 6.236 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.152 11.650 4.788 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.474 12.422 3.936 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.413 14.244 5.725 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.929 13.516 6.305 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -1.390 14.567 3.485 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -0.490 15.391 4.743 1.00 1.53 H new ATOM 0 HE2 LYS A 23 1.150 13.605 4.838 1.00 1.84 H new ATOM 0 HE3 LYS A 23 0.195 12.602 3.765 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 2.013 13.654 2.594 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 0.531 14.225 1.995 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 1.457 15.196 3.035 1.00 2.60 H new ATOM 310 N LYS A 24 -5.007 10.949 4.719 1.00 0.49 N ATOM 311 CA LYS A 24 -5.928 9.975 4.184 1.00 0.49 C ATOM 312 C LYS A 24 -6.730 10.509 3.006 1.00 0.45 C ATOM 313 O LYS A 24 -6.833 11.719 2.797 1.00 0.48 O ATOM 314 CB LYS A 24 -6.861 9.480 5.283 1.00 0.61 C ATOM 315 CG LYS A 24 -7.813 10.531 5.824 1.00 0.91 C ATOM 316 CD LYS A 24 -7.141 11.565 6.722 1.00 1.32 C ATOM 317 CE LYS A 24 -6.682 10.961 8.038 1.00 1.88 C ATOM 318 NZ LYS A 24 -6.158 11.994 8.969 1.00 2.17 N ATOM 0 H LYS A 24 -5.367 11.902 4.764 1.00 0.49 H new ATOM 0 HA LYS A 24 -5.333 9.143 3.807 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.445 8.644 4.897 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -6.259 9.095 6.106 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -8.287 11.044 4.987 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -8.605 10.036 6.385 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -6.285 11.995 6.202 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -7.837 12.380 6.920 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -7.515 10.438 8.508 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -5.907 10.219 7.846 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -6.314 11.688 9.951 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -5.139 12.125 8.805 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -6.653 12.893 8.804 1.00 2.17 H new ATOM 332 N VAL A 25 -7.314 9.582 2.259 1.00 0.46 N ATOM 333 CA VAL A 25 -8.011 9.903 1.022 1.00 0.50 C ATOM 334 C VAL A 25 -9.507 9.674 1.177 1.00 0.56 C ATOM 335 O VAL A 25 -9.936 8.812 1.942 1.00 0.57 O ATOM 336 CB VAL A 25 -7.519 9.037 -0.152 1.00 0.47 C ATOM 337 CG1 VAL A 25 -7.714 9.772 -1.465 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.068 8.614 0.039 1.00 0.44 C ATOM 0 H VAL A 25 -7.318 8.589 2.493 1.00 0.46 H new ATOM 0 HA VAL A 25 -7.803 10.952 0.810 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.116 8.126 -0.179 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -7.362 9.148 -2.287 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -8.772 9.993 -1.605 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -7.148 10.703 -1.448 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -5.752 8.004 -0.807 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -5.436 9.500 0.103 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -5.976 8.035 0.958 1.00 0.44 H new ATOM 348 N GLN A 26 -10.292 10.442 0.433 1.00 0.66 N ATOM 349 CA GLN A 26 -11.743 10.347 0.474 1.00 0.78 C ATOM 350 C GLN A 26 -12.261 9.123 -0.279 1.00 0.75 C ATOM 351 O GLN A 26 -13.460 8.855 -0.287 1.00 0.87 O ATOM 352 CB GLN A 26 -12.357 11.599 -0.141 1.00 0.97 C ATOM 353 CG GLN A 26 -11.934 11.848 -1.576 1.00 1.71 C ATOM 354 CD GLN A 26 -12.628 13.047 -2.191 1.00 2.23 C ATOM 355 OE1 GLN A 26 -13.847 13.320 -1.749 1.00 2.62 O flip ATOM 356 NE2 GLN A 26 -12.076 13.723 -3.058 1.00 2.83 N flip ATOM 0 H GLN A 26 -9.940 11.147 -0.215 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.032 10.250 1.520 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -13.443 11.516 -0.102 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -12.081 12.462 0.464 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -10.855 12.000 -1.611 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -12.151 10.962 -2.173 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -11.136 13.481 -3.372 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -12.558 14.526 -3.463 1.00 2.83 H new ATOM 365 N LYS A 27 -11.363 8.394 -0.920 1.00 0.96 N ATOM 366 CA LYS A 27 -11.754 7.260 -1.740 1.00 1.06 C ATOM 367 C LYS A 27 -11.442 5.951 -1.036 1.00 0.94 C ATOM 368 O LYS A 27 -10.295 5.673 -0.717 1.00 1.56 O ATOM 369 CB LYS A 27 -11.031 7.315 -3.087 1.00 1.81 C ATOM 370 CG LYS A 27 -11.396 8.531 -3.929 1.00 2.36 C ATOM 371 CD LYS A 27 -12.831 8.486 -4.428 1.00 2.79 C ATOM 372 CE LYS A 27 -13.114 7.217 -5.206 1.00 3.33 C ATOM 373 NZ LYS A 27 -12.268 7.091 -6.424 1.00 4.07 N ATOM 0 H LYS A 27 -10.358 8.567 -0.888 1.00 0.96 H new ATOM 0 HA LYS A 27 -12.830 7.312 -1.907 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -9.955 7.315 -2.912 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -11.262 6.411 -3.651 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -11.249 9.435 -3.338 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -10.720 8.594 -4.782 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -13.513 8.553 -3.581 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -13.023 9.352 -5.062 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -12.946 6.355 -4.561 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.165 7.199 -5.495 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -12.726 6.446 -7.099 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -12.151 8.026 -6.864 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -11.336 6.713 -6.161 1.00 4.07 H new ATOM 387 N SER A 28 -12.471 5.158 -0.788 1.00 0.83 N ATOM 388 CA SER A 28 -12.295 3.857 -0.159 1.00 1.35 C ATOM 389 C SER A 28 -12.381 2.747 -1.202 1.00 1.17 C ATOM 390 O SER A 28 -12.413 1.563 -0.867 1.00 1.46 O ATOM 391 CB SER A 28 -13.354 3.656 0.926 1.00 2.09 C ATOM 392 OG SER A 28 -13.313 4.714 1.870 1.00 2.46 O ATOM 0 H SER A 28 -13.438 5.391 -1.012 1.00 0.83 H new ATOM 0 HA SER A 28 -11.308 3.818 0.302 1.00 1.35 H new ATOM 0 HB2 SER A 28 -14.343 3.607 0.471 1.00 2.09 H new ATOM 0 HB3 SER A 28 -13.188 2.705 1.431 1.00 2.09 H new ATOM 0 HG SER A 28 -13.999 4.568 2.555 1.00 2.46 H new ATOM 398 N THR A 29 -12.412 3.143 -2.464 1.00 1.02 N ATOM 399 CA THR A 29 -12.502 2.202 -3.563 1.00 1.07 C ATOM 400 C THR A 29 -11.117 1.729 -3.999 1.00 1.17 C ATOM 401 O THR A 29 -10.107 2.340 -3.655 1.00 2.00 O ATOM 402 CB THR A 29 -13.230 2.837 -4.758 1.00 1.24 C ATOM 403 OG1 THR A 29 -12.701 4.145 -5.002 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.725 2.929 -4.498 1.00 1.64 C ATOM 0 H THR A 29 -12.376 4.121 -2.752 1.00 1.02 H new ATOM 0 HA THR A 29 -13.070 1.340 -3.213 1.00 1.07 H new ATOM 0 HB THR A 29 -13.072 2.207 -5.633 1.00 1.24 H new ATOM 0 HG1 THR A 29 -11.792 4.069 -5.361 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.217 3.382 -5.359 1.00 1.64 H new ATOM 0 HG22 THR A 29 -15.128 1.930 -4.334 1.00 1.64 H new ATOM 0 HG23 THR A 29 -14.904 3.542 -3.614 1.00 1.64 H new ATOM 412 N GLY A 30 -11.084 0.652 -4.767 1.00 0.96 N ATOM 413 CA GLY A 30 -9.829 0.069 -5.196 1.00 1.02 C ATOM 414 C GLY A 30 -9.987 -0.659 -6.512 1.00 1.05 C ATOM 415 O GLY A 30 -11.065 -0.624 -7.105 1.00 1.39 O ATOM 0 H GLY A 30 -11.914 0.165 -5.105 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.077 0.852 -5.298 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -9.467 -0.623 -4.435 1.00 1.02 H new ATOM 419 N GLU A 31 -8.938 -1.331 -6.962 1.00 1.00 N ATOM 420 CA GLU A 31 -8.963 -1.988 -8.263 1.00 1.18 C ATOM 421 C GLU A 31 -9.216 -3.488 -8.131 1.00 0.94 C ATOM 422 O GLU A 31 -9.709 -4.122 -9.061 1.00 1.04 O ATOM 423 CB GLU A 31 -7.653 -1.741 -9.013 1.00 1.63 C ATOM 424 CG GLU A 31 -7.332 -0.269 -9.204 1.00 2.14 C ATOM 425 CD GLU A 31 -6.130 -0.045 -10.099 1.00 2.60 C ATOM 426 OE1 GLU A 31 -4.995 -0.343 -9.668 1.00 2.90 O ATOM 427 OE2 GLU A 31 -6.314 0.433 -11.239 1.00 3.06 O ATOM 0 H GLU A 31 -8.062 -1.436 -6.450 1.00 1.00 H new ATOM 0 HA GLU A 31 -9.787 -1.557 -8.832 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -6.837 -2.215 -8.468 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -7.706 -2.223 -9.989 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -8.198 0.235 -9.633 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -7.146 0.187 -8.232 1.00 2.14 H new ATOM 434 N GLU A 32 -8.890 -4.051 -6.977 1.00 0.85 N ATOM 435 CA GLU A 32 -9.047 -5.482 -6.757 1.00 1.01 C ATOM 436 C GLU A 32 -10.307 -5.781 -5.957 1.00 1.08 C ATOM 437 O GLU A 32 -11.276 -6.333 -6.481 1.00 1.36 O ATOM 438 CB GLU A 32 -7.818 -6.055 -6.047 1.00 1.26 C ATOM 439 CG GLU A 32 -6.611 -6.206 -6.959 1.00 1.66 C ATOM 440 CD GLU A 32 -6.797 -7.301 -7.992 1.00 1.90 C ATOM 441 OE1 GLU A 32 -6.302 -8.427 -7.780 1.00 2.09 O ATOM 442 OE2 GLU A 32 -7.447 -7.042 -9.025 1.00 2.44 O ATOM 0 H GLU A 32 -8.515 -3.539 -6.178 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.143 -5.961 -7.731 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.554 -5.406 -5.212 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -8.071 -7.028 -5.627 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -6.423 -5.260 -7.467 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -5.730 -6.425 -6.356 1.00 1.66 H new ATOM 603 N GLN A 44 -12.724 -0.311 5.522 1.00 0.64 N ATOM 604 CA GLN A 44 -11.417 -0.225 4.894 1.00 0.45 C ATOM 605 C GLN A 44 -10.783 1.130 5.166 1.00 0.42 C ATOM 606 O GLN A 44 -11.465 2.153 5.186 1.00 0.57 O ATOM 607 CB GLN A 44 -11.538 -0.413 3.391 1.00 0.42 C ATOM 608 CG GLN A 44 -12.267 -1.685 2.992 1.00 0.57 C ATOM 609 CD GLN A 44 -12.303 -1.918 1.490 1.00 0.64 C ATOM 610 OE1 GLN A 44 -12.350 -0.849 0.711 1.00 1.40 O flip ATOM 611 NE2 GLN A 44 -12.302 -3.056 1.034 1.00 1.18 N flip ATOM 0 HA GLN A 44 -10.792 -1.013 5.314 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.062 0.444 2.967 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.540 -0.424 2.953 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.785 -2.536 3.472 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.289 -1.642 3.370 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -12.265 -3.858 1.664 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.338 -3.201 0.025 1.00 1.18 H new ATOM 620 N VAL A 45 -9.482 1.131 5.355 1.00 0.33 N ATOM 621 CA VAL A 45 -8.769 2.353 5.660 1.00 0.36 C ATOM 622 C VAL A 45 -8.029 2.861 4.434 1.00 0.27 C ATOM 623 O VAL A 45 -7.178 2.174 3.874 1.00 0.33 O ATOM 624 CB VAL A 45 -7.804 2.171 6.849 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.780 1.109 6.567 1.00 1.19 C ATOM 626 CG2 VAL A 45 -7.144 3.487 7.228 1.00 1.37 C ATOM 0 H VAL A 45 -8.895 0.298 5.303 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.507 3.100 5.953 1.00 0.36 H new ATOM 0 HB VAL A 45 -8.394 1.838 7.703 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.116 1.007 7.425 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.282 0.160 6.381 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -6.198 1.389 5.689 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -6.469 3.327 8.069 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -6.579 3.869 6.378 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -7.909 4.210 7.509 1.00 1.37 H new ATOM 636 N ALA A 46 -8.398 4.048 4.002 1.00 0.24 N ATOM 637 CA ALA A 46 -7.788 4.661 2.837 1.00 0.21 C ATOM 638 C ALA A 46 -6.885 5.808 3.233 1.00 0.20 C ATOM 639 O ALA A 46 -7.350 6.919 3.499 1.00 0.30 O ATOM 640 CB ALA A 46 -8.853 5.152 1.881 1.00 0.29 C ATOM 0 H ALA A 46 -9.123 4.613 4.443 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.183 3.903 2.340 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.379 5.609 1.012 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.468 4.312 1.559 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.480 5.889 2.382 1.00 0.29 H new ATOM 646 N ILE A 47 -5.595 5.543 3.270 1.00 0.21 N ATOM 647 CA ILE A 47 -4.630 6.577 3.561 1.00 0.21 C ATOM 648 C ILE A 47 -3.888 6.976 2.295 1.00 0.20 C ATOM 649 O ILE A 47 -3.818 6.207 1.336 1.00 0.21 O ATOM 650 CB ILE A 47 -3.640 6.158 4.665 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.055 4.771 4.381 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.341 6.193 6.016 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.099 4.286 5.451 1.00 0.23 C ATOM 0 H ILE A 47 -5.193 4.621 3.102 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.179 7.439 3.939 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.808 6.862 4.682 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.871 4.055 4.283 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.534 4.794 3.424 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.641 5.897 6.797 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.699 7.203 6.214 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.186 5.504 6.006 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.724 3.298 5.183 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.263 4.981 5.534 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.621 4.230 6.406 1.00 0.23 H new ATOM 665 N GLN A 48 -3.371 8.195 2.285 1.00 0.24 N ATOM 666 CA GLN A 48 -2.721 8.743 1.107 1.00 0.25 C ATOM 667 C GLN A 48 -1.333 8.163 0.963 1.00 0.22 C ATOM 668 O GLN A 48 -0.509 8.226 1.882 1.00 0.36 O ATOM 669 CB GLN A 48 -2.644 10.264 1.205 1.00 0.36 C ATOM 670 CG GLN A 48 -2.540 10.943 -0.143 1.00 0.47 C ATOM 671 CD GLN A 48 -3.893 11.270 -0.735 1.00 1.43 C ATOM 672 OE1 GLN A 48 -4.852 11.535 -0.012 1.00 2.38 O ATOM 673 NE2 GLN A 48 -3.983 11.260 -2.055 1.00 1.78 N ATOM 0 H GLN A 48 -3.390 8.826 3.086 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.309 8.477 0.228 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.529 10.634 1.724 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.781 10.539 1.811 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -1.961 11.861 -0.040 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -1.993 10.297 -0.830 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -3.164 11.035 -2.620 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -4.871 11.477 -2.507 1.00 1.78 H new ATOM 682 N CYS A 49 -1.086 7.612 -0.201 1.00 0.26 N ATOM 683 CA CYS A 49 0.141 6.916 -0.476 1.00 0.25 C ATOM 684 C CYS A 49 0.825 7.512 -1.696 1.00 0.28 C ATOM 685 O CYS A 49 0.205 8.242 -2.470 1.00 0.32 O ATOM 686 CB CYS A 49 -0.167 5.443 -0.708 1.00 0.25 C ATOM 687 SG CYS A 49 -1.138 4.664 0.622 1.00 1.15 S ATOM 0 H CYS A 49 -1.736 7.636 -0.986 1.00 0.26 H new ATOM 0 HA CYS A 49 0.816 7.017 0.374 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.711 5.341 -1.647 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.772 4.901 -0.822 1.00 0.25 H new ATOM 692 N THR A 50 2.101 7.213 -1.856 1.00 0.28 N ATOM 693 CA THR A 50 2.861 7.692 -2.995 1.00 0.36 C ATOM 694 C THR A 50 4.102 6.828 -3.189 1.00 0.38 C ATOM 695 O THR A 50 4.706 6.368 -2.219 1.00 0.45 O ATOM 696 CB THR A 50 3.260 9.176 -2.823 1.00 0.46 C ATOM 697 OG1 THR A 50 3.976 9.643 -3.974 1.00 0.60 O ATOM 698 CG2 THR A 50 4.109 9.370 -1.578 1.00 0.54 C ATOM 0 H THR A 50 2.636 6.636 -1.206 1.00 0.28 H new ATOM 0 HA THR A 50 2.230 7.620 -3.881 1.00 0.36 H new ATOM 0 HB THR A 50 2.343 9.756 -2.715 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.219 10.584 -3.849 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.376 10.422 -1.480 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.545 9.056 -0.700 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.016 8.771 -1.659 1.00 0.54 H new ATOM 706 N GLN A 51 4.466 6.576 -4.437 1.00 0.39 N ATOM 707 CA GLN A 51 5.636 5.770 -4.722 1.00 0.42 C ATOM 708 C GLN A 51 6.646 6.571 -5.541 1.00 0.42 C ATOM 709 O GLN A 51 6.358 7.009 -6.656 1.00 0.58 O ATOM 710 CB GLN A 51 5.238 4.479 -5.443 1.00 0.57 C ATOM 711 CG GLN A 51 6.023 3.261 -4.974 1.00 0.66 C ATOM 712 CD GLN A 51 7.481 3.301 -5.386 1.00 1.01 C ATOM 713 OE1 GLN A 51 7.818 3.803 -6.454 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.355 2.796 -4.529 1.00 0.74 N ATOM 0 H GLN A 51 3.970 6.916 -5.261 1.00 0.39 H new ATOM 0 HA GLN A 51 6.108 5.494 -3.779 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.174 4.298 -5.289 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.388 4.609 -6.515 1.00 0.57 H new ATOM 0 HG2 GLN A 51 5.960 3.191 -3.888 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.561 2.360 -5.379 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.032 2.388 -3.652 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.351 2.815 -4.746 1.00 0.74 H new ATOM 723 N ILE A 52 7.818 6.768 -4.960 1.00 0.43 N ATOM 724 CA ILE A 52 8.896 7.512 -5.598 1.00 0.50 C ATOM 725 C ILE A 52 9.700 6.574 -6.503 1.00 0.56 C ATOM 726 O ILE A 52 9.992 5.450 -6.097 1.00 0.65 O ATOM 727 CB ILE A 52 9.806 8.137 -4.515 1.00 0.63 C ATOM 728 CG1 ILE A 52 8.955 8.990 -3.573 1.00 0.72 C ATOM 729 CG2 ILE A 52 10.915 8.979 -5.137 1.00 0.85 C ATOM 730 CD1 ILE A 52 9.736 9.623 -2.448 1.00 0.95 C ATOM 0 H ILE A 52 8.051 6.417 -4.031 1.00 0.43 H new ATOM 0 HA ILE A 52 8.480 8.314 -6.208 1.00 0.50 H new ATOM 0 HB ILE A 52 10.282 7.333 -3.954 1.00 0.63 H new ATOM 0 HG12 ILE A 52 8.467 9.775 -4.151 1.00 0.72 H new ATOM 0 HG13 ILE A 52 8.166 8.369 -3.150 1.00 0.72 H new ATOM 0 HG21 ILE A 52 11.536 9.403 -4.348 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.529 8.352 -5.784 1.00 0.85 H new ATOM 0 HG23 ILE A 52 10.474 9.784 -5.725 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.063 10.211 -1.824 1.00 0.95 H new ATOM 0 HD12 ILE A 52 10.202 8.844 -1.845 1.00 0.95 H new ATOM 0 HD13 ILE A 52 10.508 10.272 -2.861 1.00 0.95 H new ATOM 742 N PRO A 53 10.069 7.037 -7.729 1.00 0.66 N ATOM 743 CA PRO A 53 10.702 6.227 -8.781 1.00 0.80 C ATOM 744 C PRO A 53 11.611 5.127 -8.247 1.00 0.82 C ATOM 745 O PRO A 53 12.627 5.393 -7.603 1.00 0.87 O ATOM 746 CB PRO A 53 11.520 7.257 -9.572 1.00 0.95 C ATOM 747 CG PRO A 53 11.095 8.610 -9.076 1.00 0.85 C ATOM 748 CD PRO A 53 9.881 8.403 -8.214 1.00 0.70 C ATOM 0 HA PRO A 53 9.955 5.693 -9.369 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.588 7.105 -9.418 1.00 0.95 H new ATOM 0 HB3 PRO A 53 11.335 7.160 -10.642 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.896 9.081 -8.506 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.866 9.272 -9.911 1.00 0.85 H new ATOM 0 HD2 PRO A 53 9.836 9.122 -7.396 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.957 8.509 -8.782 1.00 0.70 H new ATOM 756 N LEU A 54 11.229 3.893 -8.546 1.00 0.90 N ATOM 757 CA LEU A 54 11.829 2.719 -7.950 1.00 0.96 C ATOM 758 C LEU A 54 12.822 2.038 -8.884 1.00 0.90 C ATOM 759 O LEU A 54 12.634 2.010 -10.104 1.00 1.03 O ATOM 760 CB LEU A 54 10.726 1.728 -7.538 1.00 1.27 C ATOM 761 CG LEU A 54 9.855 1.181 -8.682 1.00 1.07 C ATOM 762 CD1 LEU A 54 10.437 -0.107 -9.249 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.429 0.951 -8.211 1.00 1.08 C ATOM 0 H LEU A 54 10.488 3.683 -9.215 1.00 0.90 H new ATOM 0 HA LEU A 54 12.386 3.043 -7.071 1.00 0.96 H new ATOM 0 HB2 LEU A 54 11.193 0.886 -7.028 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.075 2.218 -6.814 1.00 1.27 H new ATOM 0 HG LEU A 54 9.844 1.928 -9.476 1.00 1.07 H new ATOM 0 HD11 LEU A 54 9.800 -0.470 -10.056 1.00 1.67 H new ATOM 0 HD12 LEU A 54 11.438 0.085 -9.635 1.00 1.67 H new ATOM 0 HD13 LEU A 54 10.490 -0.860 -8.462 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.831 0.564 -9.036 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.428 0.230 -7.393 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.004 1.893 -7.865 1.00 1.08 H new ATOM 775 N LEU A 55 13.898 1.534 -8.309 1.00 0.88 N ATOM 776 CA LEU A 55 14.782 0.623 -9.011 1.00 0.96 C ATOM 777 C LEU A 55 14.341 -0.807 -8.724 1.00 0.93 C ATOM 778 O LEU A 55 14.080 -1.159 -7.575 1.00 0.85 O ATOM 779 CB LEU A 55 16.234 0.823 -8.568 1.00 1.08 C ATOM 780 CG LEU A 55 16.870 2.155 -8.974 1.00 1.26 C ATOM 781 CD1 LEU A 55 18.308 2.227 -8.483 1.00 1.52 C ATOM 782 CD2 LEU A 55 16.815 2.338 -10.482 1.00 1.58 C ATOM 0 H LEU A 55 14.182 1.742 -7.352 1.00 0.88 H new ATOM 0 HA LEU A 55 14.727 0.823 -10.081 1.00 0.96 H new ATOM 0 HB2 LEU A 55 16.280 0.735 -7.483 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.836 0.013 -8.979 1.00 1.08 H new ATOM 0 HG LEU A 55 16.303 2.962 -8.510 1.00 1.26 H new ATOM 0 HD11 LEU A 55 18.746 3.180 -8.780 1.00 1.52 H new ATOM 0 HD12 LEU A 55 18.326 2.142 -7.397 1.00 1.52 H new ATOM 0 HD13 LEU A 55 18.883 1.411 -8.921 1.00 1.52 H new ATOM 0 HD21 LEU A 55 17.272 3.291 -10.750 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.357 1.526 -10.967 1.00 1.58 H new ATOM 0 HD23 LEU A 55 15.776 2.328 -10.812 1.00 1.58 H new ATOM 794 N ILE A 56 14.240 -1.623 -9.766 1.00 1.10 N ATOM 795 CA ILE A 56 13.753 -2.988 -9.610 1.00 1.16 C ATOM 796 C ILE A 56 14.704 -3.796 -8.740 1.00 1.07 C ATOM 797 O ILE A 56 15.924 -3.739 -8.910 1.00 1.14 O ATOM 798 CB ILE A 56 13.589 -3.709 -10.963 1.00 1.45 C ATOM 799 CG1 ILE A 56 12.796 -2.844 -11.946 1.00 1.68 C ATOM 800 CG2 ILE A 56 12.899 -5.055 -10.765 1.00 1.58 C ATOM 801 CD1 ILE A 56 12.593 -3.495 -13.298 1.00 2.11 C ATOM 0 H ILE A 56 14.487 -1.366 -10.722 1.00 1.10 H new ATOM 0 HA ILE A 56 12.774 -2.916 -9.136 1.00 1.16 H new ATOM 0 HB ILE A 56 14.580 -3.881 -11.382 1.00 1.45 H new ATOM 0 HG12 ILE A 56 11.823 -2.615 -11.512 1.00 1.68 H new ATOM 0 HG13 ILE A 56 13.315 -1.895 -12.083 1.00 1.68 H new ATOM 0 HG21 ILE A 56 12.790 -5.553 -11.728 1.00 1.58 H new ATOM 0 HG22 ILE A 56 13.499 -5.677 -10.101 1.00 1.58 H new ATOM 0 HG23 ILE A 56 11.915 -4.898 -10.324 1.00 1.58 H new ATOM 0 HD11 ILE A 56 12.024 -2.825 -13.942 1.00 2.11 H new ATOM 0 HD12 ILE A 56 13.562 -3.699 -13.753 1.00 2.11 H new ATOM 0 HD13 ILE A 56 12.047 -4.430 -13.173 1.00 2.11 H new ATOM 813 N GLY A 57 14.138 -4.544 -7.815 1.00 1.03 N ATOM 814 CA GLY A 57 14.938 -5.337 -6.907 1.00 1.00 C ATOM 815 C GLY A 57 15.282 -4.584 -5.639 1.00 0.86 C ATOM 816 O GLY A 57 16.147 -5.007 -4.874 1.00 0.90 O ATOM 0 H GLY A 57 13.131 -4.619 -7.673 1.00 1.03 H new ATOM 0 HA2 GLY A 57 14.398 -6.248 -6.651 1.00 1.00 H new ATOM 0 HA3 GLY A 57 15.857 -5.642 -7.407 1.00 1.00 H new ATOM 820 N ILE A 58 14.624 -3.454 -5.424 1.00 0.77 N ATOM 821 CA ILE A 58 14.864 -2.645 -4.243 1.00 0.66 C ATOM 822 C ILE A 58 13.695 -2.698 -3.274 1.00 0.61 C ATOM 823 O ILE A 58 12.540 -2.849 -3.665 1.00 0.69 O ATOM 824 CB ILE A 58 15.184 -1.181 -4.635 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.681 -0.923 -4.481 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.374 -0.164 -3.834 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.163 -0.949 -3.043 1.00 0.71 C ATOM 0 H ILE A 58 13.918 -3.077 -6.056 1.00 0.77 H new ATOM 0 HA ILE A 58 15.731 -3.065 -3.733 1.00 0.66 H new ATOM 0 HB ILE A 58 14.895 -1.050 -5.678 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.230 -1.672 -5.052 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.920 0.047 -4.917 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.640 0.844 -4.151 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.310 -0.330 -4.006 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.593 -0.280 -2.772 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.236 -0.758 -3.015 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.643 -0.181 -2.471 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.958 -1.927 -2.608 1.00 0.71 H new ATOM 839 N ALA A 59 14.039 -2.595 -2.008 1.00 0.57 N ATOM 840 CA ALA A 59 13.076 -2.554 -0.925 1.00 0.59 C ATOM 841 C ALA A 59 12.373 -1.203 -0.902 1.00 0.49 C ATOM 842 O ALA A 59 13.019 -0.157 -0.892 1.00 0.50 O ATOM 843 CB ALA A 59 13.812 -2.786 0.379 1.00 0.68 C ATOM 0 H ALA A 59 15.008 -2.536 -1.696 1.00 0.57 H new ATOM 0 HA ALA A 59 12.321 -3.328 -1.066 1.00 0.59 H new ATOM 0 HB1 ALA A 59 13.103 -2.759 1.207 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.301 -3.760 0.352 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.562 -2.007 0.517 1.00 0.68 H new ATOM 849 N ILE A 60 11.045 -1.238 -0.886 1.00 0.46 N ATOM 850 CA ILE A 60 10.226 -0.026 -0.930 1.00 0.42 C ATOM 851 C ILE A 60 10.555 0.926 0.216 1.00 0.40 C ATOM 852 O ILE A 60 10.499 2.142 0.055 1.00 0.39 O ATOM 853 CB ILE A 60 8.719 -0.365 -0.882 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.887 0.897 -1.113 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.355 -1.017 0.450 1.00 0.62 C ATOM 856 CD1 ILE A 60 6.399 0.648 -1.183 1.00 0.69 C ATOM 0 H ILE A 60 10.505 -2.102 -0.842 1.00 0.46 H new ATOM 0 HA ILE A 60 10.458 0.466 -1.874 1.00 0.42 H new ATOM 0 HB ILE A 60 8.497 -1.077 -1.677 1.00 0.53 H new ATOM 0 HG12 ILE A 60 8.089 1.605 -0.309 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.210 1.368 -2.041 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.290 -1.248 0.463 1.00 0.62 H new ATOM 0 HG22 ILE A 60 8.927 -1.937 0.573 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.588 -0.333 1.266 1.00 0.62 H new ATOM 0 HD11 ILE A 60 5.880 1.592 -1.349 1.00 0.69 H new ATOM 0 HD12 ILE A 60 6.183 -0.034 -2.005 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.059 0.207 -0.246 1.00 0.69 H new ATOM 868 N GLU A 61 10.922 0.368 1.361 1.00 0.49 N ATOM 869 CA GLU A 61 11.199 1.168 2.543 1.00 0.60 C ATOM 870 C GLU A 61 12.586 1.796 2.443 1.00 0.58 C ATOM 871 O GLU A 61 12.959 2.656 3.240 1.00 0.71 O ATOM 872 CB GLU A 61 11.050 0.301 3.801 1.00 0.83 C ATOM 873 CG GLU A 61 11.989 -0.899 3.867 1.00 0.73 C ATOM 874 CD GLU A 61 13.321 -0.585 4.525 1.00 1.47 C ATOM 875 OE1 GLU A 61 14.275 -0.238 3.802 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.414 -0.661 5.764 1.00 1.82 O ATOM 0 H GLU A 61 11.035 -0.637 1.495 1.00 0.49 H new ATOM 0 HA GLU A 61 10.479 1.983 2.611 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.220 0.926 4.678 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.022 -0.057 3.859 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.501 -1.704 4.417 1.00 0.73 H new ATOM 0 HG3 GLU A 61 12.169 -1.267 2.857 1.00 0.73 H new ATOM 883 N ASP A 62 13.339 1.352 1.450 1.00 0.54 N ATOM 884 CA ASP A 62 14.653 1.903 1.165 1.00 0.60 C ATOM 885 C ASP A 62 14.536 2.898 0.024 1.00 0.51 C ATOM 886 O ASP A 62 15.218 3.922 -0.012 1.00 0.65 O ATOM 887 CB ASP A 62 15.623 0.783 0.783 1.00 0.75 C ATOM 888 CG ASP A 62 17.055 1.260 0.671 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.809 1.096 1.652 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.436 1.790 -0.396 1.00 1.98 O ATOM 0 H ASP A 62 13.057 0.601 0.820 1.00 0.54 H new ATOM 0 HA ASP A 62 15.036 2.406 2.053 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.566 -0.010 1.528 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.314 0.349 -0.168 1.00 0.75 H new ATOM 895 N GLU A 63 13.642 2.573 -0.901 1.00 0.40 N ATOM 896 CA GLU A 63 13.386 3.391 -2.069 1.00 0.40 C ATOM 897 C GLU A 63 12.713 4.703 -1.669 1.00 0.34 C ATOM 898 O GLU A 63 13.026 5.765 -2.205 1.00 0.42 O ATOM 899 CB GLU A 63 12.501 2.607 -3.044 1.00 0.43 C ATOM 900 CG GLU A 63 12.427 3.209 -4.432 1.00 0.64 C ATOM 901 CD GLU A 63 13.793 3.424 -5.055 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.399 4.490 -4.827 1.00 2.09 O ATOM 903 OE2 GLU A 63 14.271 2.523 -5.777 1.00 1.68 O ATOM 0 H GLU A 63 13.073 1.728 -0.857 1.00 0.40 H new ATOM 0 HA GLU A 63 14.331 3.635 -2.554 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.879 1.587 -3.121 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.494 2.543 -2.633 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.839 2.555 -5.075 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.902 4.163 -4.381 1.00 0.64 H new ATOM 910 N CYS A 64 11.798 4.627 -0.714 1.00 0.29 N ATOM 911 CA CYS A 64 11.088 5.811 -0.260 1.00 0.32 C ATOM 912 C CYS A 64 11.348 6.044 1.225 1.00 0.40 C ATOM 913 O CYS A 64 11.518 5.096 1.991 1.00 0.60 O ATOM 914 CB CYS A 64 9.587 5.661 -0.525 1.00 0.33 C ATOM 915 SG CYS A 64 8.702 4.626 0.686 1.00 0.47 S ATOM 0 H CYS A 64 11.532 3.763 -0.242 1.00 0.29 H new ATOM 0 HA CYS A 64 11.453 6.675 -0.815 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.133 6.652 -0.537 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.448 5.234 -1.518 1.00 0.33 H new ATOM 920 N LYS A 65 11.382 7.307 1.634 1.00 0.43 N ATOM 921 CA LYS A 65 11.623 7.645 3.030 1.00 0.51 C ATOM 922 C LYS A 65 10.311 7.953 3.748 1.00 0.45 C ATOM 923 O LYS A 65 10.186 8.963 4.440 1.00 0.60 O ATOM 924 CB LYS A 65 12.578 8.838 3.141 1.00 0.69 C ATOM 925 CG LYS A 65 13.935 8.610 2.493 1.00 1.41 C ATOM 926 CD LYS A 65 14.697 7.482 3.167 1.00 1.33 C ATOM 927 CE LYS A 65 15.083 7.825 4.597 1.00 1.77 C ATOM 928 NZ LYS A 65 15.942 9.035 4.674 1.00 2.32 N ATOM 0 H LYS A 65 11.246 8.111 1.021 1.00 0.43 H new ATOM 0 HA LYS A 65 12.086 6.782 3.509 1.00 0.51 H new ATOM 0 HB2 LYS A 65 12.110 9.708 2.682 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.726 9.075 4.195 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.799 8.377 1.437 1.00 1.41 H new ATOM 0 HG3 LYS A 65 14.522 9.527 2.545 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.085 6.580 3.164 1.00 1.33 H new ATOM 0 HD3 LYS A 65 15.596 7.259 2.593 1.00 1.33 H new ATOM 0 HE2 LYS A 65 14.180 7.985 5.186 1.00 1.77 H new ATOM 0 HE3 LYS A 65 15.609 6.980 5.042 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.385 9.087 5.613 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 16.682 8.983 3.945 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.361 9.884 4.518 1.00 2.32 H new ATOM 942 N ASN A 66 9.335 7.075 3.571 1.00 0.35 N ATOM 943 CA ASN A 66 8.050 7.202 4.249 1.00 0.30 C ATOM 944 C ASN A 66 7.715 5.896 4.950 1.00 0.29 C ATOM 945 O ASN A 66 8.540 4.983 4.991 1.00 0.41 O ATOM 946 CB ASN A 66 6.930 7.570 3.269 1.00 0.36 C ATOM 947 CG ASN A 66 7.034 8.993 2.752 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.510 9.926 3.361 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.694 9.168 1.620 1.00 1.02 N ATOM 0 H ASN A 66 9.408 6.261 2.960 1.00 0.35 H new ATOM 0 HA ASN A 66 8.130 8.006 4.981 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.953 6.881 2.425 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.967 7.438 3.762 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.783 10.102 1.221 1.00 1.02 H new ATOM 0 HD22 ASN A 66 8.114 8.369 1.146 1.00 1.02 H new ATOM 956 N THR A 67 6.509 5.798 5.489 1.00 0.28 N ATOM 957 CA THR A 67 6.114 4.613 6.218 1.00 0.27 C ATOM 958 C THR A 67 5.632 3.526 5.265 1.00 0.25 C ATOM 959 O THR A 67 4.780 3.763 4.406 1.00 0.26 O ATOM 960 CB THR A 67 5.018 4.926 7.254 1.00 0.29 C ATOM 961 OG1 THR A 67 5.469 5.964 8.135 1.00 0.34 O ATOM 962 CG2 THR A 67 4.680 3.685 8.065 1.00 0.31 C ATOM 0 H THR A 67 5.794 6.523 5.433 1.00 0.28 H new ATOM 0 HA THR A 67 6.994 4.252 6.751 1.00 0.27 H new ATOM 0 HB THR A 67 4.123 5.255 6.725 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.769 6.162 8.792 1.00 0.34 H new ATOM 0 HG21 THR A 67 3.904 3.925 8.792 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.322 2.901 7.398 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.571 3.338 8.588 1.00 0.31 H new ATOM 970 N PRO A 68 6.198 2.323 5.401 1.00 0.28 N ATOM 971 CA PRO A 68 5.824 1.179 4.590 1.00 0.30 C ATOM 972 C PRO A 68 4.573 0.502 5.133 1.00 0.25 C ATOM 973 O PRO A 68 4.461 0.245 6.335 1.00 0.28 O ATOM 974 CB PRO A 68 7.037 0.257 4.705 1.00 0.38 C ATOM 975 CG PRO A 68 7.668 0.589 6.019 1.00 0.45 C ATOM 976 CD PRO A 68 7.238 1.988 6.385 1.00 0.38 C ATOM 0 HA PRO A 68 5.585 1.449 3.561 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.739 -0.791 4.667 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.734 0.420 3.883 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.356 -0.121 6.785 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.754 0.527 5.950 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.850 2.030 7.403 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.073 2.686 6.333 1.00 0.38 H new ATOM 984 N THR A 69 3.624 0.234 4.258 1.00 0.23 N ATOM 985 CA THR A 69 2.376 -0.371 4.672 1.00 0.21 C ATOM 986 C THR A 69 1.999 -1.526 3.748 1.00 0.23 C ATOM 987 O THR A 69 2.414 -1.560 2.589 1.00 0.29 O ATOM 988 CB THR A 69 1.236 0.667 4.669 1.00 0.24 C ATOM 989 OG1 THR A 69 1.065 1.193 3.351 1.00 0.31 O ATOM 990 CG2 THR A 69 1.513 1.815 5.631 1.00 0.30 C ATOM 0 H THR A 69 3.694 0.425 3.259 1.00 0.23 H new ATOM 0 HA THR A 69 2.517 -0.750 5.684 1.00 0.21 H new ATOM 0 HB THR A 69 0.328 0.159 4.996 1.00 0.24 H new ATOM 0 HG1 THR A 69 1.928 1.508 3.010 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.686 2.524 5.599 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.617 1.424 6.643 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.435 2.319 5.340 1.00 0.30 H new ATOM 998 N CYS A 70 1.241 -2.477 4.272 1.00 0.23 N ATOM 999 CA CYS A 70 0.701 -3.563 3.466 1.00 0.27 C ATOM 1000 C CYS A 70 -0.748 -3.268 3.108 1.00 0.22 C ATOM 1001 O CYS A 70 -1.620 -3.276 3.976 1.00 0.27 O ATOM 1002 CB CYS A 70 0.783 -4.889 4.219 1.00 0.38 C ATOM 1003 SG CYS A 70 -0.117 -6.260 3.415 1.00 1.26 S ATOM 0 H CYS A 70 0.984 -2.519 5.258 1.00 0.23 H new ATOM 0 HA CYS A 70 1.294 -3.643 2.555 1.00 0.27 H new ATOM 0 HB2 CYS A 70 1.831 -5.170 4.326 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.387 -4.749 5.225 1.00 0.38 H new ATOM 1008 N CYS A 71 -1.002 -3.007 1.837 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.333 -2.639 1.387 1.00 0.19 C ATOM 1010 C CYS A 71 -3.034 -3.827 0.750 1.00 0.21 C ATOM 1011 O CYS A 71 -2.433 -4.595 -0.006 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.253 -1.488 0.383 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.347 -0.033 0.995 1.00 0.29 S ATOM 0 H CYS A 71 -0.301 -3.043 1.097 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.908 -2.318 2.256 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.772 -1.846 -0.527 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.264 -1.186 0.111 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.308 -3.977 1.068 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.121 -5.025 0.498 1.00 0.24 C ATOM 1020 C GLU A 72 -5.544 -4.641 -0.920 1.00 0.25 C ATOM 1021 O GLU A 72 -5.757 -5.501 -1.777 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.324 -5.292 1.414 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.575 -5.692 0.671 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.644 -6.247 1.580 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.322 -5.452 2.258 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.819 -7.481 1.616 1.00 1.37 O ATOM 0 H GLU A 72 -4.802 -3.375 1.727 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.549 -5.950 0.424 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.064 -6.080 2.120 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.530 -4.396 1.999 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.970 -4.825 0.141 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.322 -6.438 -0.082 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.626 -3.340 -1.164 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.961 -2.811 -2.482 1.00 0.24 C ATOM 1035 C ASP A 73 -5.371 -1.412 -2.606 1.00 0.22 C ATOM 1036 O ASP A 73 -5.175 -0.743 -1.596 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.485 -2.756 -2.657 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.927 -2.732 -4.108 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -9.114 -3.021 -4.368 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -7.103 -2.442 -4.997 1.00 1.03 O ATOM 0 H ASP A 73 -5.463 -2.623 -0.457 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.550 -3.458 -3.256 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.931 -3.620 -2.164 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.869 -1.869 -2.154 1.00 0.29 H new ATOM 1045 N VAL A 74 -5.047 -0.982 -3.820 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.545 0.374 -4.034 1.00 0.30 C ATOM 1047 C VAL A 74 -5.137 0.950 -5.319 1.00 0.43 C ATOM 1048 O VAL A 74 -5.139 0.286 -6.358 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.995 0.442 -4.127 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.501 1.805 -3.680 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.327 -0.652 -3.306 1.00 1.07 C ATOM 0 H VAL A 74 -5.121 -1.546 -4.667 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.851 0.957 -3.166 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.723 0.283 -5.171 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.414 1.839 -3.750 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.930 2.576 -4.320 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.804 1.981 -2.648 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.244 -0.567 -3.399 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.610 -0.545 -2.259 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.647 -1.628 -3.671 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.637 2.175 -5.242 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.257 2.834 -6.388 1.00 0.46 C ATOM 1063 C GLU A 75 -5.285 3.843 -7.008 1.00 0.50 C ATOM 1064 O GLU A 75 -4.321 4.264 -6.356 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.563 3.522 -5.959 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.422 3.992 -7.124 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.765 4.543 -6.690 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -9.852 5.756 -6.409 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.739 3.760 -6.601 1.00 1.85 O ATOM 0 H GLU A 75 -5.626 2.738 -4.392 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.497 2.085 -7.142 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.143 2.830 -5.348 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.322 4.378 -5.329 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -7.883 4.761 -7.678 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -8.582 3.159 -7.808 1.00 0.98 H new ATOM 1076 N ASP A 76 -5.544 4.221 -8.266 1.00 0.61 N ATOM 1077 CA ASP A 76 -4.641 5.081 -9.037 1.00 0.65 C ATOM 1078 C ASP A 76 -3.276 4.421 -9.176 1.00 0.67 C ATOM 1079 O ASP A 76 -3.171 3.194 -9.126 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.500 6.480 -8.406 1.00 0.61 C ATOM 1081 CG ASP A 76 -5.710 7.359 -8.651 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -6.555 7.491 -7.744 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -5.816 7.935 -9.753 1.00 1.15 O ATOM 0 H ASP A 76 -6.382 3.940 -8.775 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.077 5.213 -10.027 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.344 6.375 -7.332 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -3.614 6.969 -8.811 1.00 0.61 H new ATOM 1088 N ASP A 77 -2.234 5.219 -9.353 1.00 0.70 N ATOM 1089 CA ASP A 77 -0.869 4.696 -9.421 1.00 0.77 C ATOM 1090 C ASP A 77 -0.332 4.403 -8.021 1.00 0.67 C ATOM 1091 O ASP A 77 0.879 4.401 -7.793 1.00 0.81 O ATOM 1092 CB ASP A 77 0.060 5.677 -10.138 1.00 0.89 C ATOM 1093 CG ASP A 77 -0.294 5.862 -11.598 1.00 1.36 C ATOM 1094 OD1 ASP A 77 0.152 5.046 -12.429 1.00 1.59 O ATOM 1095 OD2 ASP A 77 -1.019 6.822 -11.927 1.00 2.12 O ATOM 0 H ASP A 77 -2.303 6.232 -9.453 1.00 0.70 H new ATOM 0 HA ASP A 77 -0.899 3.767 -9.990 1.00 0.77 H new ATOM 0 HB2 ASP A 77 0.019 6.643 -9.634 1.00 0.89 H new ATOM 0 HB3 ASP A 77 1.087 5.320 -10.061 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.241 4.177 -7.083 1.00 0.51 N ATOM 1101 CA GLY A 78 -0.849 3.846 -5.730 1.00 0.44 C ATOM 1102 C GLY A 78 -0.982 5.019 -4.781 1.00 0.33 C ATOM 1103 O GLY A 78 -0.321 5.064 -3.749 1.00 0.35 O ATOM 0 H GLY A 78 -2.248 4.218 -7.237 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.463 3.021 -5.370 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.184 3.499 -5.730 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.826 5.980 -5.140 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.055 7.151 -4.307 1.00 0.22 C ATOM 1109 C LEU A 79 -2.987 6.831 -3.151 1.00 0.19 C ATOM 1110 O LEU A 79 -2.942 7.477 -2.108 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.681 8.277 -5.126 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.785 8.963 -6.166 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -0.670 9.740 -5.485 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -1.203 7.975 -7.167 1.00 0.94 C ATOM 0 H LEU A 79 -2.364 5.969 -6.006 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.086 7.462 -3.918 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.553 7.876 -5.642 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -3.042 9.039 -4.435 1.00 0.26 H new ATOM 0 HG LEU A 79 -2.416 9.657 -6.721 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -0.046 10.219 -6.240 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -1.101 10.501 -4.835 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -0.062 9.058 -4.891 1.00 1.10 H new ATOM 0 HD21 LEU A 79 -0.576 8.508 -7.882 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.602 7.234 -6.640 1.00 0.94 H new ATOM 0 HD23 LEU A 79 -2.013 7.474 -7.697 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.853 5.855 -3.350 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.867 5.533 -2.361 1.00 0.20 C ATOM 1128 C VAL A 80 -4.792 4.070 -1.973 1.00 0.20 C ATOM 1129 O VAL A 80 -5.155 3.198 -2.760 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.279 5.839 -2.895 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.324 5.640 -1.809 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.336 7.250 -3.458 1.00 0.33 C ATOM 0 H VAL A 80 -3.875 5.271 -4.186 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.675 6.152 -1.485 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.503 5.140 -3.701 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.313 5.862 -2.210 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.297 4.607 -1.463 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.113 6.308 -0.974 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.340 7.452 -3.832 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.090 7.965 -2.673 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.619 7.346 -4.273 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.315 3.805 -0.771 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.194 2.439 -0.326 1.00 0.21 C ATOM 1144 C GLY A 81 -5.320 2.038 0.599 1.00 0.20 C ATOM 1145 O GLY A 81 -5.735 2.813 1.462 1.00 0.26 O ATOM 0 H GLY A 81 -4.011 4.509 -0.098 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.184 1.776 -1.191 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.241 2.309 0.187 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.812 0.826 0.411 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.902 0.296 1.204 1.00 0.17 C ATOM 1151 C ILE A 82 -6.376 -0.714 2.206 1.00 0.17 C ATOM 1152 O ILE A 82 -5.711 -1.684 1.828 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.979 -0.372 0.310 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.929 0.675 -0.277 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.756 -1.434 1.076 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.267 1.622 -1.248 1.00 0.30 C ATOM 0 H ILE A 82 -5.464 0.181 -0.299 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.364 1.130 1.733 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.463 -0.866 -0.513 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.749 0.165 -0.783 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.367 1.252 0.538 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.503 -1.882 0.420 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -8.070 -2.205 1.426 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.253 -0.976 1.931 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.003 2.334 -1.621 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.466 2.160 -0.742 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.853 1.057 -2.083 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.659 -0.468 3.481 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.307 -1.403 4.543 1.00 0.21 C ATOM 1170 C ASN A 83 -4.800 -1.576 4.629 1.00 0.22 C ATOM 1171 O ASN A 83 -4.294 -2.685 4.788 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.012 -2.747 4.326 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.464 -2.695 4.747 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.832 -1.942 5.654 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.303 -3.479 4.095 1.00 0.29 N ATOM 0 H ASN A 83 -7.133 0.375 3.805 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.647 -0.994 5.495 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.948 -3.025 3.274 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.497 -3.523 4.892 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.294 -3.476 4.335 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.960 -4.087 3.352 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.094 -0.461 4.523 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.642 -0.464 4.543 1.00 0.23 C ATOM 1184 C CYS A 84 -2.114 -0.489 5.973 1.00 0.25 C ATOM 1185 O CYS A 84 -2.022 0.548 6.631 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.111 0.768 3.816 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.726 0.941 2.116 1.00 0.81 S ATOM 0 H CYS A 84 -4.509 0.465 4.421 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.295 -1.364 4.035 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.384 1.658 4.383 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.022 0.724 3.795 1.00 0.26 H new ATOM 1192 N THR A 85 -1.785 -1.676 6.454 1.00 0.25 N ATOM 1193 CA THR A 85 -1.229 -1.833 7.788 1.00 0.28 C ATOM 1194 C THR A 85 0.259 -1.476 7.795 1.00 0.24 C ATOM 1195 O THR A 85 1.034 -2.019 7.005 1.00 0.23 O ATOM 1196 CB THR A 85 -1.412 -3.273 8.297 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.783 -3.662 8.162 1.00 0.43 O ATOM 1198 CG2 THR A 85 -0.989 -3.394 9.755 1.00 0.44 C ATOM 0 H THR A 85 -1.894 -2.549 5.938 1.00 0.25 H new ATOM 0 HA THR A 85 -1.766 -1.155 8.452 1.00 0.28 H new ATOM 0 HB THR A 85 -0.781 -3.931 7.699 1.00 0.36 H new ATOM 0 HG1 THR A 85 -2.896 -4.580 8.485 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.128 -4.422 10.090 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.061 -3.120 9.853 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.597 -2.727 10.367 1.00 0.44 H new ATOM 1206 N PRO A 86 0.668 -0.542 8.669 1.00 0.26 N ATOM 1207 CA PRO A 86 2.065 -0.118 8.789 1.00 0.28 C ATOM 1208 C PRO A 86 2.953 -1.230 9.329 1.00 0.33 C ATOM 1209 O PRO A 86 2.653 -1.831 10.361 1.00 0.39 O ATOM 1210 CB PRO A 86 2.008 1.052 9.784 1.00 0.37 C ATOM 1211 CG PRO A 86 0.574 1.443 9.839 1.00 0.35 C ATOM 1212 CD PRO A 86 -0.193 0.184 9.612 1.00 0.29 C ATOM 0 HA PRO A 86 2.492 0.153 7.824 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.373 0.752 10.766 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.631 1.883 9.452 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.325 1.885 10.804 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.341 2.187 9.077 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.343 -0.373 10.537 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -1.180 0.379 9.194 1.00 0.29 H new ATOM 1220 N ILE A 87 4.038 -1.507 8.625 1.00 0.37 N ATOM 1221 CA ILE A 87 4.957 -2.553 9.013 1.00 0.47 C ATOM 1222 C ILE A 87 6.253 -1.964 9.561 1.00 0.57 C ATOM 1223 O ILE A 87 6.721 -0.927 9.085 1.00 0.56 O ATOM 1224 CB ILE A 87 5.274 -3.473 7.821 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.470 -2.649 6.546 1.00 0.41 C ATOM 1226 CG2 ILE A 87 4.165 -4.499 7.644 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.986 -3.444 5.369 1.00 0.49 C ATOM 0 H ILE A 87 4.302 -1.013 7.773 1.00 0.37 H new ATOM 0 HA ILE A 87 4.476 -3.139 9.796 1.00 0.47 H new ATOM 0 HB ILE A 87 6.204 -4.005 8.022 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.519 -2.192 6.273 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.166 -1.837 6.755 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.399 -5.145 6.798 1.00 0.53 H new ATOM 0 HG22 ILE A 87 4.079 -5.102 8.548 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.221 -3.986 7.459 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.097 -2.787 4.507 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.953 -3.880 5.620 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.281 -4.240 5.130 1.00 0.49 H new ATOM 1239 N PRO A 88 6.838 -2.605 10.585 1.00 0.73 N ATOM 1240 CA PRO A 88 8.085 -2.160 11.204 1.00 0.86 C ATOM 1241 C PRO A 88 9.291 -2.383 10.302 1.00 0.92 C ATOM 1242 O PRO A 88 9.280 -3.252 9.426 1.00 0.96 O ATOM 1243 CB PRO A 88 8.207 -3.044 12.453 1.00 1.05 C ATOM 1244 CG PRO A 88 6.875 -3.672 12.623 1.00 1.04 C ATOM 1245 CD PRO A 88 6.341 -3.819 11.237 1.00 0.85 C ATOM 0 HA PRO A 88 8.066 -1.091 11.415 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.984 -3.798 12.326 1.00 1.05 H new ATOM 0 HB3 PRO A 88 8.477 -2.453 13.328 1.00 1.05 H new ATOM 0 HG2 PRO A 88 6.954 -4.639 13.121 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.221 -3.051 13.235 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.710 -4.722 10.752 1.00 0.85 H new ATOM 0 HD3 PRO A 88 5.252 -3.872 11.223 1.00 0.85 H new