USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 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 120:sc= -0.0093 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot 173:sc= 1.3 USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 2.06 (180deg=0.786) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.565 K(o=0.56,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -136:sc= 1.21 (180deg=1.08) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= -0.0511 (180deg=-0.294) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 49:sc= 0.313 USER MOD Single : A 29 THR OG1 : rot -54:sc= 1.15 USER MOD Single : A 44 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.32! C(o=-3.3!,f=-4.7!) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.159) 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 139:sc= 1.45 USER MOD Single : A 83 ASN : amide:sc= -0.495! C(o=-0.49!,f=-9!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 6.596 -5.953 -5.304 1.00 0.81 N ATOM 29 CA TRP A 4 7.535 -5.632 -4.242 1.00 0.60 C ATOM 30 C TRP A 4 7.997 -6.887 -3.524 1.00 0.62 C ATOM 31 O TRP A 4 7.225 -7.833 -3.339 1.00 0.74 O ATOM 32 CB TRP A 4 6.902 -4.671 -3.237 1.00 0.45 C ATOM 33 CG TRP A 4 6.732 -3.287 -3.767 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.580 -2.709 -4.210 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.760 -2.310 -3.920 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.829 -1.419 -4.610 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.162 -1.155 -4.450 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.130 -2.301 -3.658 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.889 -0.003 -4.720 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.850 -1.156 -3.927 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.229 -0.021 -4.452 1.00 0.52 C ATOM 0 HA TRP A 4 8.400 -5.153 -4.700 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.929 -5.060 -2.937 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.521 -4.635 -2.340 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.615 -3.193 -4.242 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.134 -0.764 -4.968 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.618 -3.175 -3.252 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.412 0.876 -5.127 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.911 -1.137 -3.728 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.820 0.861 -4.650 1.00 0.52 H new ATOM 52 N GLU A 5 9.261 -6.884 -3.118 1.00 0.66 N ATOM 53 CA GLU A 5 9.836 -8.002 -2.390 1.00 0.73 C ATOM 54 C GLU A 5 9.186 -8.136 -1.021 1.00 0.67 C ATOM 55 O GLU A 5 9.409 -7.318 -0.127 1.00 0.78 O ATOM 56 CB GLU A 5 11.346 -7.819 -2.243 1.00 0.96 C ATOM 57 CG GLU A 5 12.088 -7.813 -3.567 1.00 1.49 C ATOM 58 CD GLU A 5 11.890 -9.098 -4.343 1.00 2.14 C ATOM 59 OE1 GLU A 5 12.691 -10.038 -4.157 1.00 2.65 O ATOM 60 OE2 GLU A 5 10.933 -9.177 -5.139 1.00 2.73 O ATOM 0 H GLU A 5 9.909 -6.113 -3.283 1.00 0.66 H new ATOM 0 HA GLU A 5 9.648 -8.915 -2.954 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.541 -6.882 -1.722 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.742 -8.619 -1.618 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.746 -6.971 -4.169 1.00 1.49 H new ATOM 0 HG3 GLU A 5 13.152 -7.662 -3.384 1.00 1.49 H new ATOM 67 N SER A 6 8.387 -9.177 -0.866 1.00 0.74 N ATOM 68 CA SER A 6 7.670 -9.418 0.370 1.00 0.87 C ATOM 69 C SER A 6 8.258 -10.618 1.101 1.00 0.88 C ATOM 70 O SER A 6 7.578 -11.270 1.890 1.00 0.90 O ATOM 71 CB SER A 6 6.187 -9.645 0.070 1.00 1.16 C ATOM 72 OG SER A 6 5.655 -8.564 -0.678 1.00 1.75 O ATOM 0 H SER A 6 8.219 -9.875 -1.591 1.00 0.74 H new ATOM 0 HA SER A 6 7.770 -8.545 1.015 1.00 0.87 H new ATOM 0 HB2 SER A 6 6.061 -10.574 -0.485 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.635 -9.754 1.003 1.00 1.16 H new ATOM 0 HG SER A 6 5.316 -8.895 -1.536 1.00 1.75 H new ATOM 78 N LYS A 7 9.538 -10.884 0.847 1.00 0.95 N ATOM 79 CA LYS A 7 10.231 -12.031 1.435 1.00 1.09 C ATOM 80 C LYS A 7 10.266 -11.940 2.958 1.00 1.03 C ATOM 81 O LYS A 7 10.461 -12.941 3.643 1.00 1.09 O ATOM 82 CB LYS A 7 11.651 -12.147 0.860 1.00 1.37 C ATOM 83 CG LYS A 7 12.534 -10.928 1.100 1.00 1.65 C ATOM 84 CD LYS A 7 13.275 -11.000 2.428 1.00 2.11 C ATOM 85 CE LYS A 7 14.343 -12.080 2.417 1.00 2.79 C ATOM 86 NZ LYS A 7 15.137 -12.090 3.674 1.00 3.24 N ATOM 0 H LYS A 7 10.121 -10.316 0.233 1.00 0.95 H new ATOM 0 HA LYS A 7 9.675 -12.932 1.175 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.135 -13.021 1.295 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.581 -12.323 -0.213 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.256 -10.841 0.288 1.00 1.65 H new ATOM 0 HG3 LYS A 7 11.920 -10.028 1.078 1.00 1.65 H new ATOM 0 HD2 LYS A 7 13.735 -10.035 2.641 1.00 2.11 H new ATOM 0 HD3 LYS A 7 12.565 -11.198 3.231 1.00 2.11 H new ATOM 0 HE2 LYS A 7 13.873 -13.053 2.277 1.00 2.79 H new ATOM 0 HE3 LYS A 7 15.009 -11.923 1.569 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 15.854 -12.841 3.625 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 15.607 -11.170 3.795 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 14.506 -12.266 4.482 1.00 3.24 H new ATOM 100 N THR A 8 10.075 -10.736 3.476 1.00 1.01 N ATOM 101 CA THR A 8 10.039 -10.517 4.909 1.00 1.08 C ATOM 102 C THR A 8 8.783 -11.144 5.521 1.00 0.93 C ATOM 103 O THR A 8 8.728 -11.418 6.721 1.00 1.03 O ATOM 104 CB THR A 8 10.067 -9.011 5.220 1.00 1.25 C ATOM 105 OG1 THR A 8 10.981 -8.354 4.328 1.00 2.05 O ATOM 106 CG2 THR A 8 10.492 -8.762 6.659 1.00 1.66 C ATOM 0 H THR A 8 9.942 -9.892 2.919 1.00 1.01 H new ATOM 0 HA THR A 8 10.918 -10.991 5.346 1.00 1.08 H new ATOM 0 HB THR A 8 9.063 -8.610 5.083 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.997 -7.394 4.525 1.00 2.05 H new ATOM 0 HG21 THR A 8 10.504 -7.690 6.854 1.00 1.66 H new ATOM 0 HG22 THR A 8 9.788 -9.246 7.335 1.00 1.66 H new ATOM 0 HG23 THR A 8 11.489 -9.171 6.820 1.00 1.66 H new ATOM 114 N GLY A 9 7.781 -11.379 4.676 1.00 0.79 N ATOM 115 CA GLY A 9 6.536 -11.976 5.126 1.00 0.79 C ATOM 116 C GLY A 9 5.639 -10.986 5.838 1.00 0.69 C ATOM 117 O GLY A 9 4.600 -11.356 6.384 1.00 0.88 O ATOM 0 H GLY A 9 7.812 -11.164 3.679 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.005 -12.390 4.269 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.757 -12.807 5.796 1.00 0.79 H new ATOM 121 N SER A 10 6.036 -9.723 5.819 1.00 0.61 N ATOM 122 CA SER A 10 5.318 -8.676 6.530 1.00 0.73 C ATOM 123 C SER A 10 3.979 -8.360 5.871 1.00 0.64 C ATOM 124 O SER A 10 3.042 -7.921 6.535 1.00 0.73 O ATOM 125 CB SER A 10 6.180 -7.420 6.586 1.00 0.96 C ATOM 126 OG SER A 10 7.500 -7.736 6.989 1.00 1.72 O ATOM 0 H SER A 10 6.860 -9.396 5.314 1.00 0.61 H new ATOM 0 HA SER A 10 5.111 -9.032 7.539 1.00 0.73 H new ATOM 0 HB2 SER A 10 6.198 -6.942 5.607 1.00 0.96 H new ATOM 0 HB3 SER A 10 5.743 -6.704 7.282 1.00 0.96 H new ATOM 0 HG SER A 10 8.038 -6.917 7.017 1.00 1.72 H new ATOM 132 N CYS A 11 3.889 -8.586 4.571 1.00 0.52 N ATOM 133 CA CYS A 11 2.678 -8.253 3.836 1.00 0.44 C ATOM 134 C CYS A 11 1.935 -9.522 3.434 1.00 0.41 C ATOM 135 O CYS A 11 2.554 -10.527 3.081 1.00 0.43 O ATOM 136 CB CYS A 11 3.039 -7.430 2.597 1.00 0.41 C ATOM 137 SG CYS A 11 1.606 -6.794 1.669 1.00 1.19 S ATOM 0 H CYS A 11 4.633 -8.995 4.006 1.00 0.52 H new ATOM 0 HA CYS A 11 2.023 -7.663 4.477 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.660 -6.588 2.904 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.643 -8.046 1.931 1.00 0.41 H new ATOM 142 N ASN A 12 0.608 -9.472 3.502 1.00 0.46 N ATOM 143 CA ASN A 12 -0.223 -10.631 3.189 1.00 0.53 C ATOM 144 C ASN A 12 -0.670 -10.641 1.728 1.00 0.47 C ATOM 145 O ASN A 12 -1.077 -11.679 1.209 1.00 0.57 O ATOM 146 CB ASN A 12 -1.448 -10.695 4.112 1.00 0.69 C ATOM 147 CG ASN A 12 -2.433 -9.560 3.898 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.351 -9.666 3.086 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.262 -8.475 4.636 1.00 1.03 N ATOM 0 H ASN A 12 0.084 -8.640 3.772 1.00 0.46 H new ATOM 0 HA ASN A 12 0.394 -11.514 3.355 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.961 -11.644 3.955 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -1.112 -10.682 5.149 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -2.904 -7.688 4.542 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.488 -8.426 5.299 1.00 1.03 H new ATOM 156 N THR A 13 -0.624 -9.487 1.077 1.00 0.38 N ATOM 157 CA THR A 13 -1.098 -9.374 -0.298 1.00 0.37 C ATOM 158 C THR A 13 0.050 -9.187 -1.283 1.00 0.35 C ATOM 159 O THR A 13 -0.026 -9.621 -2.433 1.00 0.44 O ATOM 160 CB THR A 13 -2.058 -8.187 -0.438 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.470 -7.036 0.178 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.403 -8.491 0.201 1.00 0.52 C ATOM 0 H THR A 13 -0.265 -8.619 1.475 1.00 0.38 H new ATOM 0 HA THR A 13 -1.612 -10.306 -0.531 1.00 0.37 H new ATOM 0 HB THR A 13 -2.229 -7.995 -1.497 1.00 0.41 H new ATOM 0 HG1 THR A 13 -2.027 -6.249 -0.000 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.063 -7.631 0.086 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.849 -9.358 -0.285 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.263 -8.702 1.261 1.00 0.52 H new ATOM 170 N GLY A 14 1.110 -8.542 -0.827 1.00 0.29 N ATOM 171 CA GLY A 14 2.235 -8.264 -1.692 1.00 0.31 C ATOM 172 C GLY A 14 2.202 -6.846 -2.226 1.00 0.30 C ATOM 173 O GLY A 14 3.067 -6.449 -3.009 1.00 0.43 O ATOM 0 H GLY A 14 1.212 -8.205 0.130 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.163 -8.423 -1.143 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.234 -8.966 -2.526 1.00 0.31 H new ATOM 177 N LYS A 15 1.203 -6.078 -1.801 1.00 0.24 N ATOM 178 CA LYS A 15 1.082 -4.689 -2.221 1.00 0.25 C ATOM 179 C LYS A 15 1.722 -3.766 -1.195 1.00 0.24 C ATOM 180 O LYS A 15 1.069 -3.307 -0.256 1.00 0.25 O ATOM 181 CB LYS A 15 -0.383 -4.293 -2.430 1.00 0.31 C ATOM 182 CG LYS A 15 -1.026 -4.910 -3.662 1.00 0.41 C ATOM 183 CD LYS A 15 -2.307 -4.177 -4.031 1.00 0.57 C ATOM 184 CE LYS A 15 -2.863 -4.646 -5.365 1.00 0.69 C ATOM 185 NZ LYS A 15 -3.930 -3.744 -5.872 1.00 1.64 N ATOM 0 H LYS A 15 0.468 -6.394 -1.168 1.00 0.24 H new ATOM 0 HA LYS A 15 1.603 -4.587 -3.173 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -0.956 -4.586 -1.550 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.447 -3.208 -2.506 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.328 -4.874 -4.498 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.245 -5.961 -3.475 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.053 -4.334 -3.251 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.112 -3.105 -4.075 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.056 -4.699 -6.096 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.262 -5.655 -5.257 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -3.987 -3.821 -6.908 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -4.842 -4.016 -5.454 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -3.708 -2.762 -5.610 1.00 1.64 H new ATOM 199 N LEU A 16 3.007 -3.515 -1.375 1.00 0.26 N ATOM 200 CA LEU A 16 3.747 -2.628 -0.502 1.00 0.30 C ATOM 201 C LEU A 16 3.754 -1.220 -1.076 1.00 0.33 C ATOM 202 O LEU A 16 4.082 -1.020 -2.241 1.00 0.55 O ATOM 203 CB LEU A 16 5.183 -3.133 -0.320 1.00 0.35 C ATOM 204 CG LEU A 16 5.347 -4.356 0.589 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.630 -5.557 0.014 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.819 -4.672 0.807 1.00 0.43 C ATOM 0 H LEU A 16 3.563 -3.920 -2.128 1.00 0.26 H new ATOM 0 HA LEU A 16 3.260 -2.610 0.473 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.590 -3.375 -1.301 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.786 -2.320 0.084 1.00 0.35 H new ATOM 0 HG LEU A 16 4.898 -4.119 1.553 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.762 -6.412 0.678 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.568 -5.334 -0.084 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.043 -5.792 -0.967 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.912 -5.543 1.455 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.292 -4.881 -0.152 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.309 -3.818 1.275 1.00 0.43 H new ATOM 218 N ALA A 17 3.381 -0.253 -0.265 1.00 0.27 N ATOM 219 CA ALA A 17 3.335 1.130 -0.706 1.00 0.27 C ATOM 220 C ALA A 17 3.911 2.043 0.362 1.00 0.24 C ATOM 221 O ALA A 17 3.987 1.672 1.532 1.00 0.28 O ATOM 222 CB ALA A 17 1.906 1.538 -1.041 1.00 0.29 C ATOM 0 H ALA A 17 3.104 -0.397 0.706 1.00 0.27 H new ATOM 0 HA ALA A 17 3.939 1.225 -1.608 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.892 2.577 -1.369 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.523 0.900 -1.838 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.279 1.429 -0.156 1.00 0.29 H new ATOM 228 N CYS A 18 4.367 3.209 -0.053 1.00 0.26 N ATOM 229 CA CYS A 18 4.802 4.224 0.890 1.00 0.26 C ATOM 230 C CYS A 18 3.634 5.137 1.218 1.00 0.24 C ATOM 231 O CYS A 18 3.342 6.077 0.476 1.00 0.32 O ATOM 232 CB CYS A 18 5.947 5.038 0.300 1.00 0.36 C ATOM 233 SG CYS A 18 7.409 4.050 -0.141 1.00 0.74 S ATOM 0 H CYS A 18 4.446 3.478 -1.034 1.00 0.26 H new ATOM 0 HA CYS A 18 5.154 3.740 1.801 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.590 5.556 -0.590 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.242 5.804 1.018 1.00 0.36 H new ATOM 238 N CYS A 19 2.978 4.872 2.333 1.00 0.21 N ATOM 239 CA CYS A 19 1.741 5.560 2.659 1.00 0.21 C ATOM 240 C CYS A 19 1.927 6.482 3.852 1.00 0.23 C ATOM 241 O CYS A 19 2.829 6.287 4.670 1.00 0.30 O ATOM 242 CB CYS A 19 0.620 4.560 2.963 1.00 0.23 C ATOM 243 SG CYS A 19 -0.015 3.625 1.523 1.00 0.50 S ATOM 0 H CYS A 19 3.279 4.188 3.027 1.00 0.21 H new ATOM 0 HA CYS A 19 1.463 6.155 1.789 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.983 3.848 3.705 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.210 5.099 3.419 1.00 0.23 H new ATOM 248 N ASP A 20 1.079 7.495 3.933 1.00 0.23 N ATOM 249 CA ASP A 20 1.027 8.352 5.101 1.00 0.28 C ATOM 250 C ASP A 20 -0.112 7.879 5.979 1.00 0.28 C ATOM 251 O ASP A 20 -1.232 7.725 5.503 1.00 0.34 O ATOM 252 CB ASP A 20 0.768 9.810 4.714 1.00 0.37 C ATOM 253 CG ASP A 20 1.139 10.783 5.821 1.00 1.01 C ATOM 254 OD1 ASP A 20 1.638 11.883 5.509 1.00 1.65 O ATOM 255 OD2 ASP A 20 0.936 10.457 7.004 1.00 1.33 O ATOM 0 H ASP A 20 0.416 7.742 3.199 1.00 0.23 H new ATOM 0 HA ASP A 20 1.985 8.299 5.619 1.00 0.28 H new ATOM 0 HB2 ASP A 20 1.339 10.051 3.817 1.00 0.37 H new ATOM 0 HB3 ASP A 20 -0.286 9.934 4.464 1.00 0.37 H new ATOM 260 N THR A 21 0.156 7.640 7.242 1.00 0.31 N ATOM 261 CA THR A 21 -0.889 7.203 8.145 1.00 0.36 C ATOM 262 C THR A 21 -1.523 8.400 8.848 1.00 0.42 C ATOM 263 O THR A 21 -2.419 8.254 9.679 1.00 0.52 O ATOM 264 CB THR A 21 -0.352 6.192 9.171 1.00 0.41 C ATOM 265 OG1 THR A 21 0.798 6.729 9.845 1.00 0.41 O ATOM 266 CG2 THR A 21 0.027 4.888 8.484 1.00 0.43 C ATOM 0 H THR A 21 1.078 7.739 7.666 1.00 0.31 H new ATOM 0 HA THR A 21 -1.656 6.702 7.554 1.00 0.36 H new ATOM 0 HB THR A 21 -1.138 5.996 9.901 1.00 0.41 H new ATOM 0 HG1 THR A 21 1.129 6.077 10.497 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.405 4.183 9.224 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.851 4.465 7.996 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.799 5.080 7.739 1.00 0.43 H new ATOM 274 N ASN A 22 -1.052 9.589 8.493 1.00 0.43 N ATOM 275 CA ASN A 22 -1.587 10.831 9.024 1.00 0.56 C ATOM 276 C ASN A 22 -2.428 11.503 7.955 1.00 0.50 C ATOM 277 O ASN A 22 -3.325 12.295 8.248 1.00 0.63 O ATOM 278 CB ASN A 22 -0.455 11.766 9.445 1.00 0.70 C ATOM 279 CG ASN A 22 0.516 11.119 10.397 1.00 1.35 C ATOM 280 OD1 ASN A 22 0.324 11.145 11.613 1.00 1.87 O ATOM 281 ND2 ASN A 22 1.572 10.550 9.853 1.00 2.20 N ATOM 0 H ASN A 22 -0.288 9.717 7.829 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.198 10.610 9.899 1.00 0.56 H new ATOM 0 HB2 ASN A 22 0.082 12.100 8.558 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -0.879 12.654 9.914 1.00 0.70 H new ATOM 0 HD21 ASN A 22 2.274 10.106 10.445 1.00 2.20 H new ATOM 0 HD22 ASN A 22 1.688 10.554 8.840 1.00 2.20 H new ATOM 288 N LYS A 23 -2.115 11.185 6.709 1.00 0.40 N ATOM 289 CA LYS A 23 -2.869 11.674 5.576 1.00 0.39 C ATOM 290 C LYS A 23 -3.784 10.593 5.057 1.00 0.32 C ATOM 291 O LYS A 23 -3.388 9.442 4.907 1.00 0.39 O ATOM 292 CB LYS A 23 -1.948 12.143 4.455 1.00 0.47 C ATOM 293 CG LYS A 23 -1.386 13.531 4.663 1.00 0.95 C ATOM 294 CD LYS A 23 -0.881 14.130 3.361 1.00 1.53 C ATOM 295 CE LYS A 23 0.201 13.267 2.747 1.00 1.84 C ATOM 296 NZ LYS A 23 1.516 13.442 3.418 1.00 2.60 N ATOM 0 H LYS A 23 -1.332 10.581 6.459 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.460 12.525 5.913 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.122 11.438 4.358 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.498 12.122 3.514 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.156 14.176 5.087 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.571 13.490 5.386 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -1.709 14.234 2.660 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -0.491 15.131 3.545 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -0.097 12.220 2.805 1.00 1.84 H new ATOM 0 HE3 LYS A 23 0.301 13.512 1.690 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 2.265 13.516 2.700 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 1.500 14.309 3.992 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 1.704 12.624 4.032 1.00 2.60 H new ATOM 310 N LYS A 24 -5.000 10.974 4.769 1.00 0.49 N ATOM 311 CA LYS A 24 -5.998 10.016 4.339 1.00 0.49 C ATOM 312 C LYS A 24 -6.871 10.567 3.220 1.00 0.45 C ATOM 313 O LYS A 24 -6.885 11.770 2.962 1.00 0.48 O ATOM 314 CB LYS A 24 -6.821 9.553 5.542 1.00 0.61 C ATOM 315 CG LYS A 24 -7.548 10.662 6.280 1.00 0.91 C ATOM 316 CD LYS A 24 -8.855 11.046 5.603 1.00 1.32 C ATOM 317 CE LYS A 24 -9.881 9.919 5.650 1.00 1.88 C ATOM 318 NZ LYS A 24 -10.197 9.497 7.042 1.00 2.17 N ATOM 0 H LYS A 24 -5.328 11.938 4.822 1.00 0.49 H new ATOM 0 HA LYS A 24 -5.489 9.148 3.919 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.553 8.820 5.203 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -6.160 9.042 6.242 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -7.751 10.343 7.302 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.902 11.538 6.342 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -9.267 11.931 6.088 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -8.659 11.314 4.565 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -10.796 10.244 5.155 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -9.503 9.063 5.091 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -11.225 9.376 7.143 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -9.720 8.596 7.248 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -9.867 10.224 7.709 1.00 2.17 H new ATOM 332 N VAL A 25 -7.583 9.670 2.555 1.00 0.46 N ATOM 333 CA VAL A 25 -8.378 10.018 1.387 1.00 0.50 C ATOM 334 C VAL A 25 -9.853 9.741 1.655 1.00 0.56 C ATOM 335 O VAL A 25 -10.193 8.826 2.407 1.00 0.57 O ATOM 336 CB VAL A 25 -7.933 9.192 0.160 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.363 9.861 -1.135 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.429 8.957 0.181 1.00 0.44 C ATOM 0 H VAL A 25 -7.626 8.683 2.809 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.230 11.078 1.183 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.426 8.221 0.212 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.036 9.258 -1.982 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.449 9.954 -1.153 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -7.913 10.851 -1.200 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.140 8.373 -0.693 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -5.911 9.916 0.165 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.158 8.413 1.086 1.00 0.44 H new ATOM 348 N GLN A 26 -10.723 10.539 1.044 1.00 0.66 N ATOM 349 CA GLN A 26 -12.158 10.384 1.212 1.00 0.78 C ATOM 350 C GLN A 26 -12.712 9.327 0.266 1.00 0.75 C ATOM 351 O GLN A 26 -13.790 8.785 0.496 1.00 0.87 O ATOM 352 CB GLN A 26 -12.865 11.710 0.968 1.00 0.97 C ATOM 353 CG GLN A 26 -12.639 12.734 2.065 1.00 1.71 C ATOM 354 CD GLN A 26 -13.389 14.023 1.807 1.00 2.23 C ATOM 355 OE1 GLN A 26 -14.539 14.181 2.217 1.00 2.62 O ATOM 356 NE2 GLN A 26 -12.749 14.950 1.114 1.00 2.83 N ATOM 0 H GLN A 26 -10.454 11.303 0.425 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.340 10.060 2.237 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.523 12.125 0.020 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -13.935 11.528 0.868 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -12.956 12.316 3.021 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -11.573 12.946 2.148 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -11.796 14.779 0.792 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -13.208 15.836 0.901 1.00 2.83 H new ATOM 365 N LYS A 27 -11.984 9.050 -0.803 1.00 0.96 N ATOM 366 CA LYS A 27 -12.380 8.008 -1.736 1.00 1.06 C ATOM 367 C LYS A 27 -11.689 6.707 -1.361 1.00 0.94 C ATOM 368 O LYS A 27 -10.503 6.703 -1.039 1.00 1.56 O ATOM 369 CB LYS A 27 -12.035 8.410 -3.176 1.00 1.81 C ATOM 370 CG LYS A 27 -12.688 9.709 -3.648 1.00 2.36 C ATOM 371 CD LYS A 27 -14.122 9.514 -4.148 1.00 2.79 C ATOM 372 CE LYS A 27 -15.105 9.209 -3.025 1.00 3.33 C ATOM 373 NZ LYS A 27 -16.513 9.208 -3.501 1.00 4.07 N ATOM 0 H LYS A 27 -11.118 9.531 -1.046 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.460 7.869 -1.679 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -10.953 8.511 -3.262 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -12.334 7.604 -3.846 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -12.690 10.426 -2.827 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -12.086 10.141 -4.448 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -14.444 10.414 -4.672 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -14.141 8.700 -4.872 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -14.869 8.238 -2.591 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.991 9.949 -2.233 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -17.148 8.996 -2.705 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -16.748 10.143 -3.892 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -16.629 8.484 -4.239 1.00 4.07 H new ATOM 387 N SER A 28 -12.432 5.609 -1.384 1.00 0.83 N ATOM 388 CA SER A 28 -11.911 4.334 -0.921 1.00 1.35 C ATOM 389 C SER A 28 -12.669 3.160 -1.535 1.00 1.17 C ATOM 390 O SER A 28 -13.740 2.780 -1.056 1.00 1.46 O ATOM 391 CB SER A 28 -11.999 4.275 0.607 1.00 2.09 C ATOM 392 OG SER A 28 -13.304 4.613 1.058 1.00 2.46 O ATOM 0 H SER A 28 -13.395 5.577 -1.718 1.00 0.83 H new ATOM 0 HA SER A 28 -10.871 4.254 -1.236 1.00 1.35 H new ATOM 0 HB2 SER A 28 -11.740 3.274 0.951 1.00 2.09 H new ATOM 0 HB3 SER A 28 -11.272 4.960 1.043 1.00 2.09 H new ATOM 0 HG SER A 28 -13.969 4.107 0.545 1.00 2.46 H new ATOM 398 N THR A 29 -12.130 2.598 -2.603 1.00 1.02 N ATOM 399 CA THR A 29 -12.721 1.412 -3.196 1.00 1.07 C ATOM 400 C THR A 29 -11.727 0.257 -3.243 1.00 1.17 C ATOM 401 O THR A 29 -11.873 -0.725 -2.513 1.00 2.00 O ATOM 402 CB THR A 29 -13.279 1.688 -4.609 1.00 1.24 C ATOM 403 OG1 THR A 29 -12.320 2.403 -5.399 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.580 2.474 -4.534 1.00 1.64 C ATOM 0 H THR A 29 -11.292 2.940 -3.073 1.00 1.02 H new ATOM 0 HA THR A 29 -13.555 1.128 -2.554 1.00 1.07 H new ATOM 0 HB THR A 29 -13.480 0.728 -5.084 1.00 1.24 H new ATOM 0 HG1 THR A 29 -12.043 3.213 -4.923 1.00 1.64 H new ATOM 0 HG21 THR A 29 -14.954 2.656 -5.542 1.00 1.64 H new ATOM 0 HG22 THR A 29 -15.318 1.903 -3.971 1.00 1.64 H new ATOM 0 HG23 THR A 29 -14.401 3.427 -4.036 1.00 1.64 H new ATOM 412 N GLY A 30 -10.715 0.389 -4.080 1.00 0.96 N ATOM 413 CA GLY A 30 -9.765 -0.690 -4.271 1.00 1.02 C ATOM 414 C GLY A 30 -10.393 -1.836 -5.036 1.00 1.05 C ATOM 415 O GLY A 30 -10.809 -2.835 -4.450 1.00 1.39 O ATOM 0 H GLY A 30 -10.531 1.225 -4.634 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -8.894 -0.321 -4.812 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -9.412 -1.044 -3.303 1.00 1.02 H new ATOM 419 N GLU A 31 -10.504 -1.667 -6.343 1.00 1.00 N ATOM 420 CA GLU A 31 -11.190 -2.638 -7.180 1.00 1.18 C ATOM 421 C GLU A 31 -10.220 -3.518 -7.968 1.00 0.94 C ATOM 422 O GLU A 31 -10.608 -4.119 -8.971 1.00 1.04 O ATOM 423 CB GLU A 31 -12.149 -1.918 -8.129 1.00 1.63 C ATOM 424 CG GLU A 31 -13.196 -1.092 -7.401 1.00 2.14 C ATOM 425 CD GLU A 31 -14.064 -0.280 -8.337 1.00 2.60 C ATOM 426 OE1 GLU A 31 -13.670 0.849 -8.691 1.00 2.90 O ATOM 427 OE2 GLU A 31 -15.154 -0.757 -8.710 1.00 3.06 O ATOM 0 H GLU A 31 -10.127 -0.865 -6.848 1.00 1.00 H new ATOM 0 HA GLU A 31 -11.753 -3.299 -6.522 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -11.577 -1.268 -8.791 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -12.648 -2.654 -8.759 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -13.829 -1.755 -6.811 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -12.699 -0.420 -6.701 1.00 2.14 H new ATOM 434 N GLU A 32 -8.967 -3.615 -7.527 1.00 0.85 N ATOM 435 CA GLU A 32 -7.998 -4.423 -8.253 1.00 1.01 C ATOM 436 C GLU A 32 -8.071 -5.865 -7.784 1.00 1.08 C ATOM 437 O GLU A 32 -8.356 -6.773 -8.565 1.00 1.36 O ATOM 438 CB GLU A 32 -6.580 -3.877 -8.090 1.00 1.26 C ATOM 439 CG GLU A 32 -6.361 -2.532 -8.766 1.00 1.66 C ATOM 440 CD GLU A 32 -4.911 -2.091 -8.726 1.00 1.90 C ATOM 441 OE1 GLU A 32 -4.037 -2.923 -8.403 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.636 -0.907 -9.014 1.00 2.44 O ATOM 0 H GLU A 32 -8.608 -3.155 -6.690 1.00 0.85 H new ATOM 0 HA GLU A 32 -8.246 -4.380 -9.313 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.357 -3.780 -7.027 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -5.873 -4.599 -8.499 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -6.690 -2.592 -9.803 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -6.980 -1.779 -8.278 1.00 1.66 H new ATOM 603 N GLN A 44 -12.851 -0.323 5.252 1.00 0.64 N ATOM 604 CA GLN A 44 -11.590 -0.127 4.548 1.00 0.45 C ATOM 605 C GLN A 44 -11.021 1.261 4.794 1.00 0.42 C ATOM 606 O GLN A 44 -11.718 2.270 4.666 1.00 0.57 O ATOM 607 CB GLN A 44 -11.763 -0.320 3.045 1.00 0.42 C ATOM 608 CG GLN A 44 -12.636 -1.502 2.669 1.00 0.57 C ATOM 609 CD GLN A 44 -12.777 -1.662 1.168 1.00 0.64 C ATOM 610 OE1 GLN A 44 -13.660 -1.071 0.552 1.00 1.40 O ATOM 611 NE2 GLN A 44 -11.929 -2.486 0.574 1.00 1.18 N ATOM 0 HA GLN A 44 -10.898 -0.874 4.938 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.195 0.586 2.620 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.781 -0.448 2.591 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.211 -2.413 3.090 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.624 -1.376 3.113 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -11.209 -2.958 1.121 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -11.995 -2.649 -0.431 1.00 1.18 H new ATOM 620 N VAL A 45 -9.751 1.293 5.129 1.00 0.33 N ATOM 621 CA VAL A 45 -9.063 2.530 5.438 1.00 0.36 C ATOM 622 C VAL A 45 -8.258 2.978 4.241 1.00 0.27 C ATOM 623 O VAL A 45 -7.423 2.236 3.731 1.00 0.33 O ATOM 624 CB VAL A 45 -8.126 2.378 6.656 1.00 0.48 C ATOM 625 CG1 VAL A 45 -7.380 3.675 6.935 1.00 1.19 C ATOM 626 CG2 VAL A 45 -8.913 1.946 7.878 1.00 1.37 C ATOM 0 H VAL A 45 -9.164 0.462 5.196 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.819 3.275 5.685 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.390 1.608 6.424 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.727 3.541 7.797 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.781 3.945 6.065 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -8.097 4.470 7.143 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -8.238 1.843 8.728 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -9.672 2.695 8.106 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -9.396 0.989 7.680 1.00 1.37 H new ATOM 636 N ALA A 46 -8.532 4.179 3.790 1.00 0.24 N ATOM 637 CA ALA A 46 -7.848 4.739 2.644 1.00 0.21 C ATOM 638 C ALA A 46 -6.930 5.866 3.068 1.00 0.20 C ATOM 639 O ALA A 46 -7.375 6.991 3.308 1.00 0.30 O ATOM 640 CB ALA A 46 -8.853 5.239 1.627 1.00 0.29 C ATOM 0 H ALA A 46 -9.232 4.795 4.204 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.244 3.955 2.187 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.326 5.658 0.770 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.480 4.411 1.298 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.477 6.009 2.081 1.00 0.29 H new ATOM 646 N ILE A 47 -5.654 5.561 3.170 1.00 0.21 N ATOM 647 CA ILE A 47 -4.673 6.567 3.503 1.00 0.21 C ATOM 648 C ILE A 47 -3.942 7.032 2.258 1.00 0.20 C ATOM 649 O ILE A 47 -3.783 6.275 1.296 1.00 0.21 O ATOM 650 CB ILE A 47 -3.668 6.080 4.565 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.111 4.699 4.210 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.334 6.061 5.930 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.103 4.184 5.216 1.00 0.23 C ATOM 0 H ILE A 47 -5.274 4.625 3.027 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.215 7.408 3.935 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.827 6.773 4.591 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.936 3.990 4.137 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.642 4.745 3.227 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.620 5.716 6.678 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.670 7.066 6.185 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.190 5.387 5.908 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.748 3.202 4.905 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.260 4.873 5.272 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.574 4.106 6.196 1.00 0.23 H new ATOM 665 N GLN A 48 -3.521 8.285 2.280 1.00 0.24 N ATOM 666 CA GLN A 48 -2.875 8.904 1.134 1.00 0.25 C ATOM 667 C GLN A 48 -1.484 8.312 0.978 1.00 0.22 C ATOM 668 O GLN A 48 -0.693 8.298 1.922 1.00 0.36 O ATOM 669 CB GLN A 48 -2.809 10.421 1.339 1.00 0.36 C ATOM 670 CG GLN A 48 -2.841 11.250 0.058 1.00 0.47 C ATOM 671 CD GLN A 48 -1.703 10.944 -0.892 1.00 1.43 C ATOM 672 OE1 GLN A 48 -0.612 11.495 -0.766 1.00 2.38 O ATOM 673 NE2 GLN A 48 -1.966 10.106 -1.879 1.00 1.78 N ATOM 0 H GLN A 48 -3.616 8.900 3.088 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.445 8.710 0.225 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.645 10.723 1.970 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.896 10.659 1.884 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.787 11.075 -0.454 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.810 12.308 0.319 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.886 9.670 -1.946 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -1.249 9.895 -2.573 1.00 1.78 H new ATOM 682 N CYS A 49 -1.199 7.822 -0.207 1.00 0.26 N ATOM 683 CA CYS A 49 0.022 7.090 -0.455 1.00 0.25 C ATOM 684 C CYS A 49 0.773 7.703 -1.626 1.00 0.28 C ATOM 685 O CYS A 49 0.186 8.406 -2.451 1.00 0.32 O ATOM 686 CB CYS A 49 -0.309 5.627 -0.745 1.00 0.25 C ATOM 687 SG CYS A 49 0.904 4.445 -0.091 1.00 1.15 S ATOM 0 H CYS A 49 -1.804 7.919 -1.023 1.00 0.26 H new ATOM 0 HA CYS A 49 0.658 7.144 0.429 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -1.287 5.397 -0.323 1.00 0.25 H new ATOM 0 HB3 CYS A 49 -0.387 5.491 -1.824 1.00 0.25 H new ATOM 692 N THR A 50 2.063 7.440 -1.693 1.00 0.28 N ATOM 693 CA THR A 50 2.906 8.011 -2.728 1.00 0.36 C ATOM 694 C THR A 50 4.186 7.200 -2.867 1.00 0.38 C ATOM 695 O THR A 50 4.881 6.938 -1.883 1.00 0.45 O ATOM 696 CB THR A 50 3.235 9.495 -2.439 1.00 0.46 C ATOM 697 OG1 THR A 50 4.135 10.015 -3.428 1.00 0.60 O ATOM 698 CG2 THR A 50 3.843 9.664 -1.058 1.00 0.54 C ATOM 0 H THR A 50 2.554 6.831 -1.039 1.00 0.28 H new ATOM 0 HA THR A 50 2.356 7.973 -3.668 1.00 0.36 H new ATOM 0 HB THR A 50 2.299 10.052 -2.477 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.331 10.955 -3.230 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.063 10.717 -0.884 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.139 9.311 -0.305 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.764 9.085 -0.993 1.00 0.54 H new ATOM 706 N GLN A 51 4.496 6.780 -4.081 1.00 0.39 N ATOM 707 CA GLN A 51 5.655 5.937 -4.286 1.00 0.42 C ATOM 708 C GLN A 51 6.692 6.635 -5.157 1.00 0.42 C ATOM 709 O GLN A 51 6.509 6.807 -6.361 1.00 0.58 O ATOM 710 CB GLN A 51 5.240 4.590 -4.880 1.00 0.57 C ATOM 711 CG GLN A 51 6.029 3.431 -4.296 1.00 0.66 C ATOM 712 CD GLN A 51 7.471 3.417 -4.747 1.00 1.01 C ATOM 713 OE1 GLN A 51 7.778 3.785 -5.875 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.368 3.030 -3.853 1.00 0.74 N ATOM 0 H GLN A 51 3.970 7.005 -4.925 1.00 0.39 H new ATOM 0 HA GLN A 51 6.118 5.748 -3.317 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.177 4.429 -4.701 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.381 4.614 -5.961 1.00 0.57 H new ATOM 0 HG2 GLN A 51 5.994 3.486 -3.208 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.554 2.493 -4.584 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.067 2.731 -2.925 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.360 3.031 -4.092 1.00 0.74 H new ATOM 723 N ILE A 52 7.776 7.042 -4.514 1.00 0.43 N ATOM 724 CA ILE A 52 8.894 7.702 -5.180 1.00 0.50 C ATOM 725 C ILE A 52 9.552 6.732 -6.166 1.00 0.56 C ATOM 726 O ILE A 52 9.812 5.588 -5.805 1.00 0.65 O ATOM 727 CB ILE A 52 9.917 8.176 -4.123 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.198 9.010 -3.061 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.038 8.985 -4.763 1.00 0.85 C ATOM 730 CD1 ILE A 52 10.101 9.507 -1.960 1.00 0.95 C ATOM 0 H ILE A 52 7.908 6.924 -3.509 1.00 0.43 H new ATOM 0 HA ILE A 52 8.532 8.569 -5.733 1.00 0.50 H new ATOM 0 HB ILE A 52 10.368 7.300 -3.656 1.00 0.63 H new ATOM 0 HG12 ILE A 52 8.725 9.865 -3.544 1.00 0.72 H new ATOM 0 HG13 ILE A 52 8.401 8.411 -2.621 1.00 0.72 H new ATOM 0 HG21 ILE A 52 11.741 9.304 -3.994 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.558 8.369 -5.497 1.00 0.85 H new ATOM 0 HG23 ILE A 52 10.618 9.861 -5.257 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.518 10.090 -1.247 1.00 0.95 H new ATOM 0 HD12 ILE A 52 10.555 8.657 -1.450 1.00 0.95 H new ATOM 0 HD13 ILE A 52 10.884 10.134 -2.387 1.00 0.95 H new ATOM 742 N PRO A 53 9.846 7.204 -7.410 1.00 0.66 N ATOM 743 CA PRO A 53 10.283 6.369 -8.542 1.00 0.80 C ATOM 744 C PRO A 53 11.112 5.151 -8.140 1.00 0.82 C ATOM 745 O PRO A 53 12.312 5.245 -7.870 1.00 0.87 O ATOM 746 CB PRO A 53 11.118 7.354 -9.349 1.00 0.95 C ATOM 747 CG PRO A 53 10.403 8.651 -9.186 1.00 0.85 C ATOM 748 CD PRO A 53 9.761 8.622 -7.817 1.00 0.70 C ATOM 0 HA PRO A 53 9.440 5.928 -9.074 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.140 7.412 -8.974 1.00 0.95 H new ATOM 0 HB3 PRO A 53 11.179 7.061 -10.397 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.095 9.488 -9.271 1.00 0.85 H new ATOM 0 HG3 PRO A 53 9.650 8.779 -9.964 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.287 9.270 -7.116 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.727 8.965 -7.854 1.00 0.70 H new ATOM 756 N LEU A 54 10.433 4.013 -8.128 1.00 0.90 N ATOM 757 CA LEU A 54 10.960 2.764 -7.607 1.00 0.96 C ATOM 758 C LEU A 54 11.963 2.101 -8.544 1.00 0.90 C ATOM 759 O LEU A 54 11.832 2.159 -9.770 1.00 1.03 O ATOM 760 CB LEU A 54 9.797 1.803 -7.313 1.00 1.27 C ATOM 761 CG LEU A 54 8.813 1.560 -8.472 1.00 1.07 C ATOM 762 CD1 LEU A 54 9.317 0.477 -9.411 1.00 1.67 C ATOM 763 CD2 LEU A 54 7.436 1.200 -7.942 1.00 1.08 C ATOM 0 H LEU A 54 9.482 3.933 -8.488 1.00 0.90 H new ATOM 0 HA LEU A 54 11.501 2.999 -6.690 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.213 0.843 -7.009 1.00 1.27 H new ATOM 0 HB3 LEU A 54 9.237 2.191 -6.462 1.00 1.27 H new ATOM 0 HG LEU A 54 8.738 2.488 -9.039 1.00 1.07 H new ATOM 0 HD11 LEU A 54 8.598 0.331 -10.217 1.00 1.67 H new ATOM 0 HD12 LEU A 54 10.277 0.777 -9.831 1.00 1.67 H new ATOM 0 HD13 LEU A 54 9.438 -0.455 -8.860 1.00 1.67 H new ATOM 0 HD21 LEU A 54 6.757 1.033 -8.778 1.00 1.08 H new ATOM 0 HD22 LEU A 54 7.503 0.293 -7.342 1.00 1.08 H new ATOM 0 HD23 LEU A 54 7.059 2.016 -7.326 1.00 1.08 H new ATOM 775 N LEU A 55 12.988 1.514 -7.952 1.00 0.88 N ATOM 776 CA LEU A 55 13.879 0.616 -8.668 1.00 0.96 C ATOM 777 C LEU A 55 13.370 -0.814 -8.530 1.00 0.93 C ATOM 778 O LEU A 55 12.813 -1.188 -7.495 1.00 0.85 O ATOM 779 CB LEU A 55 15.311 0.712 -8.137 1.00 1.08 C ATOM 780 CG LEU A 55 16.124 1.923 -8.609 1.00 1.26 C ATOM 781 CD1 LEU A 55 15.544 3.224 -8.081 1.00 1.52 C ATOM 782 CD2 LEU A 55 17.575 1.775 -8.183 1.00 1.58 C ATOM 0 H LEU A 55 13.226 1.644 -6.969 1.00 0.88 H new ATOM 0 HA LEU A 55 13.892 0.907 -9.718 1.00 0.96 H new ATOM 0 HB2 LEU A 55 15.273 0.727 -7.048 1.00 1.08 H new ATOM 0 HB3 LEU A 55 15.845 -0.193 -8.425 1.00 1.08 H new ATOM 0 HG LEU A 55 16.074 1.959 -9.697 1.00 1.26 H new ATOM 0 HD11 LEU A 55 16.146 4.061 -8.435 1.00 1.52 H new ATOM 0 HD12 LEU A 55 14.520 3.337 -8.437 1.00 1.52 H new ATOM 0 HD13 LEU A 55 15.550 3.209 -6.991 1.00 1.52 H new ATOM 0 HD21 LEU A 55 18.144 2.640 -8.523 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.630 1.709 -7.096 1.00 1.58 H new ATOM 0 HD23 LEU A 55 17.993 0.870 -8.624 1.00 1.58 H new ATOM 794 N ILE A 56 13.549 -1.607 -9.576 1.00 1.10 N ATOM 795 CA ILE A 56 13.082 -2.987 -9.578 1.00 1.16 C ATOM 796 C ILE A 56 13.916 -3.841 -8.632 1.00 1.07 C ATOM 797 O ILE A 56 15.144 -3.732 -8.598 1.00 1.14 O ATOM 798 CB ILE A 56 13.138 -3.598 -10.991 1.00 1.45 C ATOM 799 CG1 ILE A 56 12.393 -2.700 -11.979 1.00 1.68 C ATOM 800 CG2 ILE A 56 12.551 -5.006 -10.998 1.00 1.58 C ATOM 801 CD1 ILE A 56 12.504 -3.152 -13.415 1.00 2.11 C ATOM 0 H ILE A 56 14.015 -1.319 -10.436 1.00 1.10 H new ATOM 0 HA ILE A 56 12.046 -2.975 -9.240 1.00 1.16 H new ATOM 0 HB ILE A 56 14.182 -3.668 -11.297 1.00 1.45 H new ATOM 0 HG12 ILE A 56 11.340 -2.663 -11.700 1.00 1.68 H new ATOM 0 HG13 ILE A 56 12.780 -1.685 -11.896 1.00 1.68 H new ATOM 0 HG21 ILE A 56 12.602 -5.416 -12.007 1.00 1.58 H new ATOM 0 HG22 ILE A 56 13.120 -5.641 -10.319 1.00 1.58 H new ATOM 0 HG23 ILE A 56 11.511 -4.968 -10.674 1.00 1.58 H new ATOM 0 HD11 ILE A 56 11.950 -2.466 -14.056 1.00 2.11 H new ATOM 0 HD12 ILE A 56 13.552 -3.162 -13.713 1.00 2.11 H new ATOM 0 HD13 ILE A 56 12.090 -4.155 -13.514 1.00 2.11 H new ATOM 813 N GLY A 57 13.234 -4.675 -7.864 1.00 1.03 N ATOM 814 CA GLY A 57 13.900 -5.554 -6.920 1.00 1.00 C ATOM 815 C GLY A 57 14.202 -4.877 -5.596 1.00 0.86 C ATOM 816 O GLY A 57 14.618 -5.527 -4.638 1.00 0.90 O ATOM 0 H GLY A 57 12.218 -4.761 -7.877 1.00 1.03 H new ATOM 0 HA2 GLY A 57 13.274 -6.428 -6.741 1.00 1.00 H new ATOM 0 HA3 GLY A 57 14.831 -5.913 -7.360 1.00 1.00 H new ATOM 820 N ILE A 58 13.974 -3.575 -5.540 1.00 0.77 N ATOM 821 CA ILE A 58 14.313 -2.781 -4.369 1.00 0.66 C ATOM 822 C ILE A 58 13.240 -2.885 -3.283 1.00 0.61 C ATOM 823 O ILE A 58 12.102 -3.284 -3.541 1.00 0.69 O ATOM 824 CB ILE A 58 14.570 -1.304 -4.779 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.062 -0.976 -4.663 1.00 0.72 C ATOM 826 CG2 ILE A 58 13.744 -0.324 -3.960 1.00 0.60 C ATOM 827 CD1 ILE A 58 16.586 -1.000 -3.242 1.00 0.71 C ATOM 0 H ILE A 58 13.552 -3.041 -6.299 1.00 0.77 H new ATOM 0 HA ILE A 58 15.231 -3.183 -3.940 1.00 0.66 H new ATOM 0 HB ILE A 58 14.256 -1.195 -5.817 1.00 0.67 H new ATOM 0 HG12 ILE A 58 16.629 -1.690 -5.261 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.241 0.011 -5.090 1.00 0.72 H new ATOM 0 HG21 ILE A 58 13.960 0.694 -4.285 1.00 0.60 H new ATOM 0 HG22 ILE A 58 12.684 -0.534 -4.103 1.00 0.60 H new ATOM 0 HG23 ILE A 58 13.996 -0.429 -2.905 1.00 0.60 H new ATOM 0 HD11 ILE A 58 17.649 -0.758 -3.242 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.047 -0.266 -2.643 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.440 -1.993 -2.817 1.00 0.71 H new ATOM 839 N ALA A 59 13.641 -2.550 -2.064 1.00 0.57 N ATOM 840 CA ALA A 59 12.773 -2.605 -0.904 1.00 0.59 C ATOM 841 C ALA A 59 12.040 -1.278 -0.698 1.00 0.49 C ATOM 842 O ALA A 59 12.650 -0.212 -0.670 1.00 0.50 O ATOM 843 CB ALA A 59 13.614 -2.935 0.312 1.00 0.68 C ATOM 0 H ALA A 59 14.587 -2.230 -1.855 1.00 0.57 H new ATOM 0 HA ALA A 59 12.017 -3.375 -1.058 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.976 -2.980 1.194 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.101 -3.899 0.167 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.371 -2.163 0.451 1.00 0.68 H new ATOM 849 N ILE A 60 10.722 -1.383 -0.531 1.00 0.46 N ATOM 850 CA ILE A 60 9.822 -0.232 -0.366 1.00 0.42 C ATOM 851 C ILE A 60 10.264 0.695 0.771 1.00 0.40 C ATOM 852 O ILE A 60 10.148 1.912 0.662 1.00 0.39 O ATOM 853 CB ILE A 60 8.384 -0.735 -0.077 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.382 0.421 -0.065 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.336 -1.492 1.246 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.116 1.002 -1.433 1.00 0.69 C ATOM 0 H ILE A 60 10.238 -2.281 -0.506 1.00 0.46 H new ATOM 0 HA ILE A 60 9.852 0.339 -1.294 1.00 0.42 H new ATOM 0 HB ILE A 60 8.103 -1.416 -0.881 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.442 0.072 0.362 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.756 1.209 0.589 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.319 -1.837 1.431 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.007 -2.350 1.199 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.648 -0.831 2.055 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.397 1.817 -1.349 1.00 0.69 H new ATOM 0 HD12 ILE A 60 8.047 1.382 -1.854 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.712 0.227 -2.085 1.00 0.69 H new ATOM 868 N GLU A 61 10.785 0.114 1.843 1.00 0.49 N ATOM 869 CA GLU A 61 11.125 0.877 3.035 1.00 0.60 C ATOM 870 C GLU A 61 12.442 1.632 2.858 1.00 0.58 C ATOM 871 O GLU A 61 12.693 2.625 3.537 1.00 0.71 O ATOM 872 CB GLU A 61 11.197 -0.057 4.247 1.00 0.83 C ATOM 873 CG GLU A 61 12.124 -1.240 4.041 1.00 0.73 C ATOM 874 CD GLU A 61 12.414 -2.001 5.320 1.00 1.47 C ATOM 875 OE1 GLU A 61 11.944 -3.151 5.448 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.089 -1.442 6.215 1.00 1.82 O ATOM 0 H GLU A 61 10.981 -0.885 1.911 1.00 0.49 H new ATOM 0 HA GLU A 61 10.343 1.618 3.201 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.532 0.511 5.115 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.196 -0.424 4.474 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.679 -1.920 3.314 1.00 0.73 H new ATOM 0 HG3 GLU A 61 13.063 -0.888 3.615 1.00 0.73 H new ATOM 883 N ASP A 62 13.267 1.167 1.928 1.00 0.54 N ATOM 884 CA ASP A 62 14.565 1.789 1.674 1.00 0.60 C ATOM 885 C ASP A 62 14.487 2.721 0.468 1.00 0.51 C ATOM 886 O ASP A 62 15.243 3.686 0.361 1.00 0.65 O ATOM 887 CB ASP A 62 15.630 0.713 1.439 1.00 0.75 C ATOM 888 CG ASP A 62 16.982 1.297 1.080 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.611 1.939 1.948 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.428 1.108 -0.071 1.00 1.98 O ATOM 0 H ASP A 62 13.062 0.362 1.336 1.00 0.54 H new ATOM 0 HA ASP A 62 14.842 2.377 2.549 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.729 0.103 2.337 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.301 0.050 0.639 1.00 0.75 H new ATOM 895 N GLU A 63 13.556 2.428 -0.428 1.00 0.40 N ATOM 896 CA GLU A 63 13.379 3.208 -1.645 1.00 0.40 C ATOM 897 C GLU A 63 12.847 4.602 -1.332 1.00 0.34 C ATOM 898 O GLU A 63 13.200 5.579 -1.992 1.00 0.42 O ATOM 899 CB GLU A 63 12.409 2.488 -2.587 1.00 0.43 C ATOM 900 CG GLU A 63 12.231 3.175 -3.931 1.00 0.64 C ATOM 901 CD GLU A 63 13.525 3.280 -4.712 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.256 4.269 -4.522 1.00 2.09 O ATOM 903 OE2 GLU A 63 13.815 2.373 -5.522 1.00 1.68 O ATOM 0 H GLU A 63 12.906 1.648 -0.334 1.00 0.40 H new ATOM 0 HA GLU A 63 14.351 3.311 -2.126 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.767 1.472 -2.754 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.437 2.407 -2.100 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.499 2.624 -4.522 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.825 4.174 -3.772 1.00 0.64 H new ATOM 910 N CYS A 64 12.002 4.695 -0.322 1.00 0.29 N ATOM 911 CA CYS A 64 11.340 5.944 -0.022 1.00 0.32 C ATOM 912 C CYS A 64 11.535 6.325 1.440 1.00 0.40 C ATOM 913 O CYS A 64 11.755 5.464 2.294 1.00 0.60 O ATOM 914 CB CYS A 64 9.852 5.808 -0.338 1.00 0.33 C ATOM 915 SG CYS A 64 8.902 4.906 0.925 1.00 0.47 S ATOM 0 H CYS A 64 11.761 3.923 0.300 1.00 0.29 H new ATOM 0 HA CYS A 64 11.776 6.734 -0.634 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.424 6.804 -0.456 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.740 5.297 -1.295 1.00 0.33 H new ATOM 920 N LYS A 65 11.459 7.618 1.727 1.00 0.43 N ATOM 921 CA LYS A 65 11.536 8.099 3.098 1.00 0.51 C ATOM 922 C LYS A 65 10.126 8.369 3.631 1.00 0.45 C ATOM 923 O LYS A 65 9.792 9.476 4.055 1.00 0.60 O ATOM 924 CB LYS A 65 12.412 9.359 3.180 1.00 0.69 C ATOM 925 CG LYS A 65 12.685 9.839 4.601 1.00 1.41 C ATOM 926 CD LYS A 65 13.432 8.794 5.415 1.00 1.33 C ATOM 927 CE LYS A 65 14.865 8.613 4.939 1.00 1.77 C ATOM 928 NZ LYS A 65 15.695 9.818 5.202 1.00 2.32 N ATOM 0 H LYS A 65 11.344 8.352 1.028 1.00 0.43 H new ATOM 0 HA LYS A 65 12.000 7.334 3.720 1.00 0.51 H new ATOM 0 HB2 LYS A 65 13.363 9.159 2.687 1.00 0.69 H new ATOM 0 HB3 LYS A 65 11.927 10.162 2.624 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.268 10.759 4.568 1.00 1.41 H new ATOM 0 HG3 LYS A 65 11.741 10.077 5.092 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.434 9.087 6.465 1.00 1.33 H new ATOM 0 HD3 LYS A 65 12.906 7.841 5.350 1.00 1.33 H new ATOM 0 HE2 LYS A 65 15.307 7.752 5.440 1.00 1.77 H new ATOM 0 HE3 LYS A 65 14.868 8.397 3.871 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.701 9.579 5.087 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 15.439 10.569 4.530 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.527 10.150 6.173 1.00 2.32 H new ATOM 942 N ASN A 66 9.298 7.342 3.572 1.00 0.35 N ATOM 943 CA ASN A 66 7.948 7.387 4.122 1.00 0.30 C ATOM 944 C ASN A 66 7.670 6.079 4.838 1.00 0.29 C ATOM 945 O ASN A 66 8.579 5.269 5.016 1.00 0.41 O ATOM 946 CB ASN A 66 6.898 7.618 3.028 1.00 0.36 C ATOM 947 CG ASN A 66 6.894 9.037 2.494 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.249 9.919 3.055 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.596 9.263 1.393 1.00 1.02 N ATOM 0 H ASN A 66 9.540 6.450 3.141 1.00 0.35 H new ATOM 0 HA ASN A 66 7.883 8.223 4.818 1.00 0.30 H new ATOM 0 HB2 ASN A 66 7.082 6.927 2.205 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.911 7.384 3.426 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.614 10.196 0.982 1.00 1.02 H new ATOM 0 HD22 ASN A 66 8.119 8.504 0.957 1.00 1.02 H new ATOM 956 N THR A 67 6.429 5.855 5.234 1.00 0.28 N ATOM 957 CA THR A 67 6.096 4.651 5.959 1.00 0.27 C ATOM 958 C THR A 67 5.716 3.536 4.998 1.00 0.25 C ATOM 959 O THR A 67 4.850 3.704 4.139 1.00 0.26 O ATOM 960 CB THR A 67 4.948 4.879 6.957 1.00 0.29 C ATOM 961 OG1 THR A 67 5.187 6.071 7.719 1.00 0.34 O ATOM 962 CG2 THR A 67 4.834 3.686 7.895 1.00 0.31 C ATOM 0 H THR A 67 5.646 6.486 5.066 1.00 0.28 H new ATOM 0 HA THR A 67 6.984 4.363 6.522 1.00 0.27 H new ATOM 0 HB THR A 67 4.016 4.992 6.403 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.450 6.209 8.350 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.019 3.854 8.599 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.633 2.785 7.315 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.768 3.564 8.443 1.00 0.31 H new ATOM 970 N PRO A 68 6.382 2.388 5.125 1.00 0.28 N ATOM 971 CA PRO A 68 6.097 1.224 4.311 1.00 0.30 C ATOM 972 C PRO A 68 4.864 0.488 4.820 1.00 0.25 C ATOM 973 O PRO A 68 4.807 0.057 5.976 1.00 0.28 O ATOM 974 CB PRO A 68 7.358 0.371 4.449 1.00 0.38 C ATOM 975 CG PRO A 68 7.986 0.775 5.744 1.00 0.45 C ATOM 976 CD PRO A 68 7.459 2.143 6.096 1.00 0.38 C ATOM 0 HA PRO A 68 5.874 1.474 3.274 1.00 0.30 H new ATOM 0 HB2 PRO A 68 7.113 -0.691 4.448 1.00 0.38 H new ATOM 0 HB3 PRO A 68 8.038 0.542 3.615 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.744 0.057 6.528 1.00 0.45 H new ATOM 0 HG3 PRO A 68 9.072 0.794 5.654 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.084 2.172 7.119 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.240 2.900 6.021 1.00 0.38 H new ATOM 984 N THR A 69 3.869 0.375 3.966 1.00 0.23 N ATOM 985 CA THR A 69 2.616 -0.249 4.332 1.00 0.21 C ATOM 986 C THR A 69 2.309 -1.456 3.445 1.00 0.23 C ATOM 987 O THR A 69 2.837 -1.579 2.338 1.00 0.29 O ATOM 988 CB THR A 69 1.460 0.760 4.198 1.00 0.24 C ATOM 989 OG1 THR A 69 1.662 1.557 3.030 1.00 0.31 O ATOM 990 CG2 THR A 69 1.321 1.673 5.400 1.00 0.30 C ATOM 0 H THR A 69 3.905 0.711 3.004 1.00 0.23 H new ATOM 0 HA THR A 69 2.712 -0.583 5.365 1.00 0.21 H new ATOM 0 HB THR A 69 0.540 0.179 4.126 1.00 0.24 H new ATOM 0 HG1 THR A 69 0.807 1.682 2.567 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.489 2.359 5.242 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.133 1.075 6.292 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.241 2.243 5.532 1.00 0.30 H new ATOM 998 N CYS A 70 1.469 -2.349 3.951 1.00 0.23 N ATOM 999 CA CYS A 70 0.925 -3.446 3.161 1.00 0.27 C ATOM 1000 C CYS A 70 -0.556 -3.189 2.898 1.00 0.22 C ATOM 1001 O CYS A 70 -1.385 -3.323 3.802 1.00 0.27 O ATOM 1002 CB CYS A 70 1.106 -4.776 3.901 1.00 0.38 C ATOM 1003 SG CYS A 70 0.298 -6.208 3.105 1.00 1.26 S ATOM 0 H CYS A 70 1.146 -2.334 4.918 1.00 0.23 H new ATOM 0 HA CYS A 70 1.458 -3.506 2.212 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.172 -4.983 3.993 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.713 -4.670 4.912 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.882 -2.782 1.679 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.263 -2.470 1.327 1.00 0.19 C ATOM 1010 C CYS A 71 -2.963 -3.735 0.868 1.00 0.21 C ATOM 1011 O CYS A 71 -2.382 -4.547 0.149 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.343 -1.433 0.195 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.700 0.231 0.583 1.00 0.29 S ATOM 0 H CYS A 71 -0.213 -2.660 0.919 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.744 -2.055 2.213 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.796 -1.820 -0.664 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.385 -1.336 -0.108 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.207 -3.901 1.276 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.011 -5.003 0.815 1.00 0.24 C ATOM 1020 C GLU A 72 -5.387 -4.769 -0.650 1.00 0.25 C ATOM 1021 O GLU A 72 -5.515 -5.705 -1.441 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.233 -5.148 1.725 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.454 -5.669 1.015 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.555 -6.066 1.967 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.438 -5.229 2.243 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.547 -7.217 2.442 1.00 1.37 O ATOM 0 H GLU A 72 -4.680 -3.278 1.931 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.458 -5.941 0.863 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -5.986 -5.820 2.547 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.465 -4.178 2.165 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.827 -4.905 0.333 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.176 -6.530 0.407 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.520 -3.496 -0.997 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.704 -3.062 -2.376 1.00 0.24 C ATOM 1035 C ASP A 73 -5.237 -1.620 -2.477 1.00 0.22 C ATOM 1036 O ASP A 73 -5.054 -0.969 -1.453 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.163 -3.165 -2.811 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.263 -3.479 -4.290 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.288 -4.058 -4.703 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.340 -3.129 -5.048 1.00 1.03 O ATOM 0 H ASP A 73 -5.503 -2.729 -0.325 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.125 -3.709 -3.035 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.665 -3.942 -2.235 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.678 -2.228 -2.598 1.00 0.29 H new ATOM 1045 N VAL A 74 -5.009 -1.122 -3.681 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.607 0.271 -3.846 1.00 0.30 C ATOM 1047 C VAL A 74 -5.363 0.898 -5.013 1.00 0.43 C ATOM 1048 O VAL A 74 -5.572 0.258 -6.045 1.00 0.68 O ATOM 1049 CB VAL A 74 -3.082 0.437 -4.079 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.651 1.846 -3.727 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.280 -0.569 -3.270 1.00 1.07 C ATOM 0 H VAL A 74 -5.093 -1.650 -4.549 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.853 0.779 -2.913 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.885 0.251 -5.135 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.579 1.951 -3.894 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -3.188 2.558 -4.354 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.876 2.044 -2.679 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.216 -0.423 -3.459 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.483 -0.427 -2.209 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.564 -1.580 -3.562 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.792 2.135 -4.832 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.542 2.851 -5.850 1.00 0.46 C ATOM 1063 C GLU A 75 -5.618 3.807 -6.603 1.00 0.50 C ATOM 1064 O GLU A 75 -4.550 4.177 -6.097 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.690 3.626 -5.201 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.912 3.779 -6.086 1.00 0.98 C ATOM 1067 CD GLU A 75 -10.013 4.574 -5.415 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -10.283 5.711 -5.859 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.617 4.064 -4.447 1.00 1.85 O ATOM 0 H GLU A 75 -5.631 2.670 -3.979 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.957 2.134 -6.558 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -7.982 3.119 -4.281 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.332 4.616 -4.920 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.625 4.272 -7.015 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.290 2.792 -6.353 1.00 0.98 H new ATOM 1076 N ASP A 76 -6.034 4.196 -7.808 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.245 5.078 -8.670 1.00 0.65 C ATOM 1078 C ASP A 76 -3.922 4.418 -9.023 1.00 0.67 C ATOM 1079 O ASP A 76 -3.826 3.190 -9.070 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.999 6.443 -8.005 1.00 0.61 C ATOM 1081 CG ASP A 76 -6.276 7.223 -7.782 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -6.668 7.401 -6.610 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.902 7.648 -8.771 1.00 1.15 O ATOM 0 H ASP A 76 -6.925 3.910 -8.214 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.814 5.251 -9.583 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.499 6.292 -7.048 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.324 7.030 -8.628 1.00 0.61 H new ATOM 1088 N ASP A 77 -2.900 5.224 -9.263 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.563 4.699 -9.537 1.00 0.77 C ATOM 1090 C ASP A 77 -0.867 4.302 -8.240 1.00 0.67 C ATOM 1091 O ASP A 77 0.350 4.123 -8.201 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.719 5.731 -10.290 1.00 0.89 C ATOM 1093 CG ASP A 77 -1.258 6.026 -11.673 1.00 1.36 C ATOM 1094 OD1 ASP A 77 -0.792 5.393 -12.645 1.00 1.59 O ATOM 1095 OD2 ASP A 77 -2.151 6.892 -11.799 1.00 2.12 O ATOM 0 H ASP A 77 -2.966 6.242 -9.275 1.00 0.70 H new ATOM 0 HA ASP A 77 -1.670 3.813 -10.163 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -0.682 6.655 -9.714 1.00 0.89 H new ATOM 0 HB3 ASP A 77 0.305 5.367 -10.373 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.654 4.159 -7.183 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.118 3.779 -5.897 1.00 0.44 C ATOM 1102 C GLY A 78 -1.181 4.910 -4.891 1.00 0.33 C ATOM 1103 O GLY A 78 -0.443 4.921 -3.910 1.00 0.35 O ATOM 0 H GLY A 78 -2.664 4.302 -7.197 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.673 2.923 -5.513 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.083 3.460 -6.017 1.00 0.44 H new ATOM 1107 N LEU A 79 -2.069 5.864 -5.140 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.209 7.032 -4.282 1.00 0.22 C ATOM 1109 C LEU A 79 -3.106 6.749 -3.086 1.00 0.19 C ATOM 1110 O LEU A 79 -3.049 7.452 -2.081 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.808 8.193 -5.076 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.897 8.882 -6.100 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -0.831 9.704 -5.400 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -1.253 7.892 -7.059 1.00 0.94 C ATOM 0 H LEU A 79 -2.707 5.850 -5.936 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.214 7.289 -3.919 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.689 7.825 -5.601 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -3.151 8.947 -4.367 1.00 0.26 H new ATOM 0 HG LEU A 79 -2.529 9.545 -6.692 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -0.195 10.185 -6.144 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -1.306 10.466 -4.782 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -0.224 9.053 -4.770 1.00 1.10 H new ATOM 0 HD21 LEU A 79 -0.618 8.429 -7.764 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.649 7.180 -6.496 1.00 0.94 H new ATOM 0 HD23 LEU A 79 -2.030 7.357 -7.605 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.952 5.742 -3.197 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.910 5.451 -2.141 1.00 0.20 C ATOM 1128 C VAL A 80 -4.818 3.992 -1.729 1.00 0.20 C ATOM 1129 O VAL A 80 -5.303 3.112 -2.433 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.351 5.756 -2.588 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.316 5.633 -1.422 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.443 7.136 -3.222 1.00 0.33 C ATOM 0 H VAL A 80 -3.998 5.115 -4.000 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.663 6.091 -1.294 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.633 5.020 -3.341 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.328 5.853 -1.762 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.279 4.619 -1.025 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.034 6.339 -0.641 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.471 7.327 -3.529 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.134 7.890 -2.498 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.790 7.180 -4.093 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.198 3.736 -0.594 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.018 2.370 -0.160 1.00 0.21 C ATOM 1144 C GLY A 81 -5.146 1.898 0.728 1.00 0.20 C ATOM 1145 O GLY A 81 -5.430 2.508 1.757 1.00 0.26 O ATOM 0 H GLY A 81 -3.817 4.444 0.033 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -3.949 1.720 -1.032 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.074 2.283 0.378 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.780 0.807 0.327 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.895 0.246 1.063 1.00 0.17 C ATOM 1151 C ILE A 82 -6.379 -0.687 2.136 1.00 0.17 C ATOM 1152 O ILE A 82 -5.699 -1.673 1.836 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.881 -0.528 0.142 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.812 0.425 -0.609 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.699 -1.529 0.943 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.107 1.330 -1.586 1.00 0.30 C ATOM 0 H ILE A 82 -5.534 0.289 -0.516 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.440 1.078 1.510 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.282 -1.068 -0.591 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.558 -0.161 -1.146 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.349 1.038 0.115 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.381 -2.058 0.277 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -8.031 -2.245 1.421 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.272 -1.003 1.706 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -8.837 1.974 -2.077 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.381 1.944 -1.054 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.593 0.727 -2.335 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.672 -0.347 3.380 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.350 -1.207 4.514 1.00 0.21 C ATOM 1170 C ASN A 83 -4.852 -1.451 4.597 1.00 0.22 C ATOM 1171 O ASN A 83 -4.403 -2.570 4.847 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.102 -2.536 4.391 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.580 -2.387 4.669 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.997 -1.524 5.445 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.387 -3.213 4.029 1.00 0.29 N ATOM 0 H ASN A 83 -7.136 0.525 3.635 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.663 -0.706 5.430 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.962 -2.938 3.388 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.675 -3.258 5.087 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.396 -3.151 4.168 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -9.002 -3.913 3.395 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.082 -0.400 4.372 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.638 -0.512 4.400 1.00 0.23 C ATOM 1184 C CYS A 84 -2.130 -0.468 5.830 1.00 0.25 C ATOM 1185 O CYS A 84 -2.192 0.568 6.495 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.981 0.604 3.593 1.00 0.26 C ATOM 1187 SG CYS A 84 -0.773 0.023 2.365 1.00 0.81 S ATOM 0 H CYS A 84 -4.433 0.536 4.169 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.373 -1.469 3.950 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.757 1.173 3.081 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.484 1.289 4.279 1.00 0.26 H new ATOM 1192 N THR A 85 -1.646 -1.597 6.300 1.00 0.25 N ATOM 1193 CA THR A 85 -1.072 -1.685 7.625 1.00 0.28 C ATOM 1194 C THR A 85 0.438 -1.489 7.545 1.00 0.24 C ATOM 1195 O THR A 85 1.101 -2.100 6.703 1.00 0.23 O ATOM 1196 CB THR A 85 -1.393 -3.049 8.265 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.793 -3.327 8.125 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.018 -3.067 9.738 1.00 0.44 C ATOM 0 H THR A 85 -1.639 -2.474 5.779 1.00 0.25 H new ATOM 0 HA THR A 85 -1.505 -0.902 8.247 1.00 0.28 H new ATOM 0 HB THR A 85 -0.808 -3.813 7.753 1.00 0.36 H new ATOM 0 HG1 THR A 85 -2.996 -4.196 8.531 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.256 -4.042 10.162 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.050 -2.876 9.844 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.578 -2.295 10.266 1.00 0.44 H new ATOM 1206 N PRO A 86 0.994 -0.599 8.383 1.00 0.26 N ATOM 1207 CA PRO A 86 2.435 -0.345 8.425 1.00 0.28 C ATOM 1208 C PRO A 86 3.211 -1.602 8.790 1.00 0.33 C ATOM 1209 O PRO A 86 3.151 -2.079 9.923 1.00 0.39 O ATOM 1210 CB PRO A 86 2.584 0.724 9.512 1.00 0.37 C ATOM 1211 CG PRO A 86 1.235 1.339 9.623 1.00 0.35 C ATOM 1212 CD PRO A 86 0.270 0.230 9.358 1.00 0.29 C ATOM 0 HA PRO A 86 2.830 -0.029 7.460 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.898 0.285 10.459 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.336 1.465 9.239 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.079 1.767 10.613 1.00 0.35 H new ATOM 0 HG3 PRO A 86 1.111 2.148 8.903 1.00 0.35 H new ATOM 0 HD2 PRO A 86 0.032 -0.326 10.265 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.672 0.600 8.955 1.00 0.29 H new ATOM 1220 N ILE A 87 3.930 -2.133 7.816 1.00 0.37 N ATOM 1221 CA ILE A 87 4.647 -3.378 7.982 1.00 0.47 C ATOM 1222 C ILE A 87 5.896 -3.187 8.834 1.00 0.57 C ATOM 1223 O ILE A 87 6.576 -2.163 8.732 1.00 0.56 O ATOM 1224 CB ILE A 87 5.026 -3.982 6.616 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.493 -2.893 5.648 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.843 -4.739 6.035 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.069 -3.430 4.357 1.00 0.49 C ATOM 0 H ILE A 87 4.031 -1.712 6.892 1.00 0.37 H new ATOM 0 HA ILE A 87 3.982 -4.071 8.498 1.00 0.47 H new ATOM 0 HB ILE A 87 5.852 -4.678 6.764 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.651 -2.241 5.416 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.245 -2.278 6.143 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.120 -5.162 5.070 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.556 -5.542 6.714 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.003 -4.057 5.904 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.378 -2.599 3.723 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.932 -4.058 4.577 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.313 -4.020 3.839 1.00 0.49 H new ATOM 1239 N PRO A 88 6.202 -4.168 9.698 1.00 0.73 N ATOM 1240 CA PRO A 88 7.347 -4.111 10.602 1.00 0.86 C ATOM 1241 C PRO A 88 8.674 -4.201 9.863 1.00 0.92 C ATOM 1242 O PRO A 88 8.761 -4.771 8.774 1.00 0.96 O ATOM 1243 CB PRO A 88 7.163 -5.339 11.501 1.00 1.05 C ATOM 1244 CG PRO A 88 5.760 -5.769 11.290 1.00 1.04 C ATOM 1245 CD PRO A 88 5.470 -5.426 9.868 1.00 0.85 C ATOM 0 HA PRO A 88 7.381 -3.167 11.146 1.00 0.86 H new ATOM 0 HB2 PRO A 88 7.862 -6.131 11.233 1.00 1.05 H new ATOM 0 HB3 PRO A 88 7.346 -5.092 12.547 1.00 1.05 H new ATOM 0 HG2 PRO A 88 5.641 -6.837 11.472 1.00 1.04 H new ATOM 0 HG3 PRO A 88 5.081 -5.253 11.969 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.822 -6.198 9.183 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.402 -5.303 9.688 1.00 0.85 H new