USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 47 HIS : no HD1:sc= 1.1 K(o=2.4,f=-5.9!) USER MOD Set 1.2: A 51 SER OG : rot -129:sc= 1.28 USER MOD Set 2.1: A 14 ASN : amide:sc= 0.0927 X(o=0.13,f=0.45) USER MOD Set 2.2: A 30 TYR OH : rot 80:sc= 0.0376 USER MOD Set 3.1: A 24 THR OG1 : rot 86:sc= 1.2 USER MOD Set 3.2: A 26 THR OG1 : rot -38:sc= 0.523 USER MOD Set 4.1: A 11 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.0043) USER MOD Set 4.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.108 (180deg=-0.66) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc=-0.00526 (180deg=-0.12) USER MOD Single : A 23 GLN : amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 104:sc= -0.212 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= 1.17 (180deg=0.843) USER MOD Single : A 50 GLN : amide:sc= -0.749 K(o=-0.75,f=-0.077) USER MOD Single : A 52 SER OG : rot 82:sc= 0.226 USER MOD Single : A 58 GLN : amide:sc= -1.16! K(o=-1.2!,f=-0.034) USER MOD Single : A 60 THR OG1 : rot -87:sc= 1.35 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0998 X(o=-0.1,f=-0.17) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 3 -5.135 -8.431 -5.261 1.00 0.57 N ATOM 32 CA GLU A 3 -4.472 -8.200 -3.997 1.00 0.47 C ATOM 33 C GLU A 3 -3.134 -8.917 -3.971 1.00 0.42 C ATOM 34 O GLU A 3 -2.942 -9.932 -4.645 1.00 0.50 O ATOM 35 CB GLU A 3 -5.351 -8.672 -2.838 1.00 0.58 C ATOM 36 CG GLU A 3 -6.606 -7.837 -2.647 1.00 0.70 C ATOM 37 CD GLU A 3 -7.525 -8.412 -1.594 1.00 1.26 C ATOM 38 OE1 GLU A 3 -7.288 -8.173 -0.393 1.00 1.99 O ATOM 39 OE2 GLU A 3 -8.480 -9.127 -1.958 1.00 1.35 O ATOM 0 HA GLU A 3 -4.299 -7.130 -3.884 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.638 -9.710 -3.010 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.767 -8.651 -1.918 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.325 -6.822 -2.365 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.141 -7.768 -3.594 1.00 0.70 H new ATOM 46 N TRP A 4 -2.211 -8.381 -3.197 1.00 0.36 N ATOM 47 CA TRP A 4 -0.889 -8.956 -3.075 1.00 0.38 C ATOM 48 C TRP A 4 -0.554 -9.154 -1.612 1.00 0.34 C ATOM 49 O TRP A 4 -1.083 -8.450 -0.750 1.00 0.34 O ATOM 50 CB TRP A 4 0.161 -8.042 -3.720 1.00 0.45 C ATOM 51 CG TRP A 4 -0.024 -7.851 -5.195 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.363 -8.705 -6.185 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.633 -6.730 -5.847 1.00 0.51 C ATOM 54 NE1 TRP A 4 0.030 -8.188 -7.413 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.582 -6.973 -7.230 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.216 -5.544 -5.392 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.093 -6.074 -8.166 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.723 -4.654 -6.319 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.657 -4.922 -7.692 1.00 0.65 C ATOM 0 H TRP A 4 -2.356 -7.540 -2.639 1.00 0.36 H new ATOM 0 HA TRP A 4 -0.880 -9.917 -3.589 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.131 -7.068 -3.231 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.152 -8.459 -3.539 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.859 -9.651 -6.026 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.208 -8.634 -8.313 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.269 -5.327 -4.335 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.045 -6.280 -9.225 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.178 -3.736 -5.979 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.060 -4.204 -8.391 1.00 0.65 H new ATOM 70 N THR A 5 0.310 -10.111 -1.329 1.00 0.37 N ATOM 71 CA THR A 5 0.798 -10.304 0.018 1.00 0.39 C ATOM 72 C THR A 5 2.066 -9.481 0.189 1.00 0.35 C ATOM 73 O THR A 5 3.155 -9.898 -0.212 1.00 0.44 O ATOM 74 CB THR A 5 1.095 -11.791 0.304 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.044 -12.595 -0.049 1.00 1.13 O ATOM 76 CG2 THR A 5 1.433 -12.007 1.772 1.00 1.11 C ATOM 0 H THR A 5 0.686 -10.765 -2.015 1.00 0.37 H new ATOM 0 HA THR A 5 0.032 -9.982 0.724 1.00 0.39 H new ATOM 0 HB THR A 5 1.954 -12.087 -0.298 1.00 0.55 H new ATOM 0 HG1 THR A 5 0.152 -13.538 0.133 1.00 1.13 H new ATOM 0 HG21 THR A 5 1.638 -13.063 1.947 1.00 1.11 H new ATOM 0 HG22 THR A 5 2.313 -11.419 2.033 1.00 1.11 H new ATOM 0 HG23 THR A 5 0.591 -11.694 2.389 1.00 1.11 H new ATOM 84 N LEU A 6 1.916 -8.308 0.766 1.00 0.30 N ATOM 85 CA LEU A 6 3.015 -7.369 0.855 1.00 0.34 C ATOM 86 C LEU A 6 3.724 -7.492 2.189 1.00 0.42 C ATOM 87 O LEU A 6 3.191 -7.113 3.230 1.00 0.75 O ATOM 88 CB LEU A 6 2.514 -5.939 0.645 1.00 0.42 C ATOM 89 CG LEU A 6 1.897 -5.667 -0.727 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.444 -4.221 -0.832 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.887 -5.999 -1.832 1.00 0.53 C ATOM 0 H LEU A 6 1.043 -7.981 1.181 1.00 0.30 H new ATOM 0 HA LEU A 6 3.730 -7.606 0.067 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.773 -5.713 1.412 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.347 -5.252 0.795 1.00 0.42 H new ATOM 0 HG LEU A 6 1.024 -6.309 -0.844 1.00 0.47 H new ATOM 0 HD11 LEU A 6 1.008 -4.047 -1.816 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.699 -4.016 -0.063 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.300 -3.561 -0.693 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.431 -5.799 -2.801 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.780 -5.384 -1.718 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.161 -7.052 -1.770 1.00 0.53 H new ATOM 103 N ASP A 7 4.919 -8.051 2.151 1.00 0.38 N ATOM 104 CA ASP A 7 5.755 -8.112 3.330 1.00 0.44 C ATOM 105 C ASP A 7 6.672 -6.908 3.336 1.00 0.39 C ATOM 106 O ASP A 7 7.700 -6.886 2.657 1.00 0.46 O ATOM 107 CB ASP A 7 6.566 -9.408 3.367 1.00 0.58 C ATOM 108 CG ASP A 7 5.685 -10.637 3.435 1.00 1.30 C ATOM 109 OD1 ASP A 7 5.069 -10.875 4.496 1.00 1.67 O ATOM 110 OD2 ASP A 7 5.602 -11.368 2.430 1.00 2.12 O ATOM 0 H ASP A 7 5.330 -8.468 1.316 1.00 0.38 H new ATOM 0 HA ASP A 7 5.124 -8.101 4.219 1.00 0.44 H new ATOM 0 HB2 ASP A 7 7.196 -9.465 2.480 1.00 0.58 H new ATOM 0 HB3 ASP A 7 7.231 -9.393 4.230 1.00 0.58 H new ATOM 115 N ILE A 8 6.273 -5.894 4.080 1.00 0.35 N ATOM 116 CA ILE A 8 6.997 -4.636 4.113 1.00 0.32 C ATOM 117 C ILE A 8 7.732 -4.478 5.438 1.00 0.30 C ATOM 118 O ILE A 8 7.113 -4.482 6.504 1.00 0.35 O ATOM 119 CB ILE A 8 6.035 -3.445 3.896 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.397 -3.528 2.505 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.757 -2.116 4.074 1.00 0.44 C ATOM 122 CD1 ILE A 8 6.392 -3.442 1.365 1.00 0.91 C ATOM 0 H ILE A 8 5.445 -5.917 4.675 1.00 0.35 H new ATOM 0 HA ILE A 8 7.728 -4.645 3.304 1.00 0.32 H new ATOM 0 HB ILE A 8 5.248 -3.501 4.648 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.847 -4.466 2.424 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.670 -2.722 2.401 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.056 -1.297 3.915 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.164 -2.055 5.083 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.569 -2.043 3.351 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.863 -3.508 0.414 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.925 -2.493 1.418 1.00 0.91 H new ATOM 0 HD13 ILE A 8 7.105 -4.263 1.441 1.00 0.91 H new ATOM 134 N PRO A 9 9.067 -4.364 5.382 1.00 0.26 N ATOM 135 CA PRO A 9 9.907 -4.206 6.572 1.00 0.26 C ATOM 136 C PRO A 9 9.585 -2.944 7.366 1.00 0.27 C ATOM 137 O PRO A 9 9.245 -1.902 6.802 1.00 0.32 O ATOM 138 CB PRO A 9 11.329 -4.118 6.006 1.00 0.29 C ATOM 139 CG PRO A 9 11.243 -4.730 4.653 1.00 0.35 C ATOM 140 CD PRO A 9 9.871 -4.398 4.149 1.00 0.29 C ATOM 0 HA PRO A 9 9.755 -5.028 7.271 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.668 -3.084 5.951 1.00 0.29 H new ATOM 0 HB3 PRO A 9 12.039 -4.653 6.637 1.00 0.29 H new ATOM 0 HG2 PRO A 9 12.011 -4.330 3.992 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.393 -5.809 4.700 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.853 -3.441 3.628 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.505 -5.149 3.449 1.00 0.29 H new ATOM 148 N ALA A 10 9.712 -3.052 8.681 1.00 0.30 N ATOM 149 CA ALA A 10 9.514 -1.922 9.582 1.00 0.33 C ATOM 150 C ALA A 10 10.853 -1.301 9.936 1.00 0.35 C ATOM 151 O ALA A 10 11.029 -0.708 11.002 1.00 0.43 O ATOM 152 CB ALA A 10 8.781 -2.371 10.834 1.00 0.41 C ATOM 0 H ALA A 10 9.955 -3.923 9.154 1.00 0.30 H new ATOM 0 HA ALA A 10 8.905 -1.170 9.081 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.639 -1.518 11.498 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.810 -2.782 10.559 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.367 -3.135 11.344 1.00 0.41 H new ATOM 158 N GLN A 11 11.797 -1.455 9.026 1.00 0.34 N ATOM 159 CA GLN A 11 13.139 -0.934 9.198 1.00 0.40 C ATOM 160 C GLN A 11 13.225 0.441 8.550 1.00 0.35 C ATOM 161 O GLN A 11 12.209 1.125 8.414 1.00 0.37 O ATOM 162 CB GLN A 11 14.143 -1.897 8.557 1.00 0.53 C ATOM 163 CG GLN A 11 13.994 -3.331 9.044 1.00 0.96 C ATOM 164 CD GLN A 11 14.868 -4.318 8.290 1.00 0.90 C ATOM 165 OE1 GLN A 11 15.275 -5.344 8.835 1.00 1.61 O ATOM 166 NE2 GLN A 11 15.172 -4.015 7.036 1.00 0.90 N ATOM 0 H GLN A 11 11.653 -1.947 8.144 1.00 0.34 H new ATOM 0 HA GLN A 11 13.374 -0.840 10.258 1.00 0.40 H new ATOM 0 HB2 GLN A 11 14.019 -1.873 7.474 1.00 0.53 H new ATOM 0 HB3 GLN A 11 15.155 -1.551 8.770 1.00 0.53 H new ATOM 0 HG2 GLN A 11 14.242 -3.374 10.105 1.00 0.96 H new ATOM 0 HG3 GLN A 11 12.951 -3.633 8.948 1.00 0.96 H new ATOM 0 HE21 GLN A 11 14.816 -3.155 6.618 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.762 -4.642 6.489 1.00 0.90 H new ATOM 175 N SER A 12 14.424 0.845 8.160 1.00 0.38 N ATOM 176 CA SER A 12 14.607 2.092 7.438 1.00 0.40 C ATOM 177 C SER A 12 13.690 2.137 6.211 1.00 0.36 C ATOM 178 O SER A 12 13.522 1.139 5.504 1.00 0.34 O ATOM 179 CB SER A 12 16.070 2.223 7.013 1.00 0.50 C ATOM 180 OG SER A 12 16.936 2.058 8.123 1.00 1.30 O ATOM 0 H SER A 12 15.285 0.326 8.332 1.00 0.38 H new ATOM 0 HA SER A 12 14.346 2.926 8.090 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.300 1.476 6.253 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.235 3.201 6.560 1.00 0.50 H new ATOM 0 HG SER A 12 17.866 2.144 7.828 1.00 1.30 H new ATOM 186 N MET A 13 13.087 3.309 5.998 1.00 0.42 N ATOM 187 CA MET A 13 12.146 3.545 4.894 1.00 0.46 C ATOM 188 C MET A 13 12.694 3.037 3.557 1.00 0.42 C ATOM 189 O MET A 13 11.934 2.611 2.689 1.00 0.45 O ATOM 190 CB MET A 13 11.843 5.046 4.794 1.00 0.61 C ATOM 191 CG MET A 13 10.832 5.404 3.713 1.00 0.68 C ATOM 192 SD MET A 13 9.170 4.805 4.079 1.00 1.29 S ATOM 193 CE MET A 13 8.760 5.793 5.516 1.00 1.00 C ATOM 0 H MET A 13 13.237 4.127 6.588 1.00 0.42 H new ATOM 0 HA MET A 13 11.232 2.990 5.107 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.469 5.395 5.756 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.772 5.581 4.599 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.804 6.487 3.593 1.00 0.68 H new ATOM 0 HG3 MET A 13 11.162 4.986 2.762 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.677 5.826 5.638 1.00 1.00 H new ATOM 0 HE2 MET A 13 9.211 5.349 6.403 1.00 1.00 H new ATOM 0 HE3 MET A 13 9.141 6.805 5.382 1.00 1.00 H new ATOM 203 N ASN A 14 14.017 3.090 3.411 1.00 0.41 N ATOM 204 CA ASN A 14 14.690 2.597 2.211 1.00 0.45 C ATOM 205 C ASN A 14 14.361 1.131 1.936 1.00 0.41 C ATOM 206 O ASN A 14 14.107 0.753 0.793 1.00 0.47 O ATOM 207 CB ASN A 14 16.207 2.789 2.345 1.00 0.52 C ATOM 208 CG ASN A 14 17.005 1.928 1.376 1.00 1.32 C ATOM 209 OD1 ASN A 14 17.470 0.847 1.735 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.159 2.390 0.147 1.00 1.85 N ATOM 0 H ASN A 14 14.648 3.473 4.115 1.00 0.41 H new ATOM 0 HA ASN A 14 14.326 3.176 1.363 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.451 3.838 2.176 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.509 2.552 3.365 1.00 0.52 H new ATOM 0 HD21 ASN A 14 17.678 1.845 -0.541 1.00 1.85 H new ATOM 0 HD22 ASN A 14 16.758 3.291 -0.113 1.00 1.85 H new ATOM 217 N SER A 15 14.332 0.312 2.982 1.00 0.36 N ATOM 218 CA SER A 15 14.099 -1.115 2.821 1.00 0.36 C ATOM 219 C SER A 15 12.642 -1.371 2.449 1.00 0.32 C ATOM 220 O SER A 15 12.343 -2.210 1.601 1.00 0.32 O ATOM 221 CB SER A 15 14.439 -1.852 4.119 1.00 0.38 C ATOM 222 OG SER A 15 15.675 -1.408 4.651 1.00 1.20 O ATOM 0 H SER A 15 14.467 0.613 3.947 1.00 0.36 H new ATOM 0 HA SER A 15 14.740 -1.486 2.021 1.00 0.36 H new ATOM 0 HB2 SER A 15 13.647 -1.691 4.850 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.486 -2.924 3.930 1.00 0.38 H new ATOM 0 HG SER A 15 15.867 -1.893 5.480 1.00 1.20 H new ATOM 228 N ALA A 16 11.745 -0.633 3.095 1.00 0.31 N ATOM 229 CA ALA A 16 10.314 -0.775 2.862 1.00 0.32 C ATOM 230 C ALA A 16 9.937 -0.425 1.427 1.00 0.30 C ATOM 231 O ALA A 16 9.254 -1.196 0.750 1.00 0.29 O ATOM 232 CB ALA A 16 9.538 0.101 3.828 1.00 0.38 C ATOM 0 H ALA A 16 11.988 0.074 3.789 1.00 0.31 H new ATOM 0 HA ALA A 16 10.055 -1.821 3.029 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.470 -0.013 3.645 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.764 -0.197 4.852 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.822 1.143 3.682 1.00 0.38 H new ATOM 238 N LEU A 17 10.384 0.737 0.964 1.00 0.31 N ATOM 239 CA LEU A 17 10.026 1.214 -0.366 1.00 0.33 C ATOM 240 C LEU A 17 10.642 0.334 -1.450 1.00 0.32 C ATOM 241 O LEU A 17 9.997 0.031 -2.456 1.00 0.35 O ATOM 242 CB LEU A 17 10.447 2.674 -0.546 1.00 0.38 C ATOM 243 CG LEU A 17 9.793 3.656 0.433 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.265 5.070 0.165 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.277 3.580 0.348 1.00 0.73 C ATOM 0 H LEU A 17 10.993 1.365 1.489 1.00 0.31 H new ATOM 0 HA LEU A 17 8.942 1.155 -0.465 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.530 2.741 -0.438 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.208 2.984 -1.563 1.00 0.38 H new ATOM 0 HG LEU A 17 10.093 3.374 1.442 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.790 5.752 0.870 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.347 5.121 0.284 1.00 0.92 H new ATOM 0 HD13 LEU A 17 9.998 5.356 -0.852 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.837 4.286 1.052 1.00 0.73 H new ATOM 0 HD22 LEU A 17 7.956 3.829 -0.664 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.949 2.570 0.594 1.00 0.73 H new ATOM 257 N GLN A 18 11.882 -0.087 -1.237 1.00 0.34 N ATOM 258 CA GLN A 18 12.547 -0.995 -2.169 1.00 0.39 C ATOM 259 C GLN A 18 11.808 -2.330 -2.233 1.00 0.33 C ATOM 260 O GLN A 18 11.697 -2.949 -3.296 1.00 0.34 O ATOM 261 CB GLN A 18 13.994 -1.225 -1.734 1.00 0.49 C ATOM 262 CG GLN A 18 14.798 -2.070 -2.706 1.00 1.07 C ATOM 263 CD GLN A 18 16.202 -2.335 -2.214 1.00 1.51 C ATOM 264 OE1 GLN A 18 17.116 -1.557 -2.473 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.388 -3.439 -1.507 1.00 2.19 N ATOM 0 H GLN A 18 12.447 0.183 -0.432 1.00 0.34 H new ATOM 0 HA GLN A 18 12.538 -0.541 -3.160 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.485 -0.260 -1.614 1.00 0.49 H new ATOM 0 HB3 GLN A 18 13.998 -1.709 -0.757 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.287 -3.019 -2.867 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.843 -1.565 -3.671 1.00 1.07 H new ATOM 0 HE21 GLN A 18 15.602 -4.059 -1.314 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.318 -3.669 -1.156 1.00 2.19 H new ATOM 274 N ALA A 19 11.293 -2.761 -1.088 1.00 0.29 N ATOM 275 CA ALA A 19 10.527 -3.995 -1.009 1.00 0.28 C ATOM 276 C ALA A 19 9.226 -3.867 -1.792 1.00 0.26 C ATOM 277 O ALA A 19 8.832 -4.786 -2.506 1.00 0.28 O ATOM 278 CB ALA A 19 10.245 -4.363 0.440 1.00 0.31 C ATOM 0 H ALA A 19 11.393 -2.271 -0.199 1.00 0.29 H new ATOM 0 HA ALA A 19 11.120 -4.794 -1.454 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.671 -5.289 0.475 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.187 -4.500 0.971 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.674 -3.564 0.914 1.00 0.31 H new ATOM 284 N LEU A 20 8.581 -2.709 -1.682 1.00 0.27 N ATOM 285 CA LEU A 20 7.319 -2.472 -2.370 1.00 0.32 C ATOM 286 C LEU A 20 7.541 -2.460 -3.877 1.00 0.33 C ATOM 287 O LEU A 20 6.748 -3.004 -4.642 1.00 0.36 O ATOM 288 CB LEU A 20 6.703 -1.145 -1.914 1.00 0.38 C ATOM 289 CG LEU A 20 5.341 -0.812 -2.526 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.302 -1.853 -2.130 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.893 0.577 -2.098 1.00 0.95 C ATOM 0 H LEU A 20 8.912 -1.922 -1.124 1.00 0.27 H new ATOM 0 HA LEU A 20 6.628 -3.277 -2.121 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.600 -1.165 -0.829 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.397 -0.340 -2.154 1.00 0.38 H new ATOM 0 HG LEU A 20 5.441 -0.826 -3.611 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.341 -1.596 -2.576 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.616 -2.834 -2.485 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.204 -1.874 -1.045 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.922 0.799 -2.542 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.813 0.615 -1.012 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.622 1.314 -2.434 1.00 0.95 H new ATOM 303 N ALA A 21 8.663 -1.871 -4.283 1.00 0.33 N ATOM 304 CA ALA A 21 8.994 -1.726 -5.693 1.00 0.39 C ATOM 305 C ALA A 21 9.078 -3.091 -6.361 1.00 0.38 C ATOM 306 O ALA A 21 8.516 -3.321 -7.433 1.00 0.44 O ATOM 307 CB ALA A 21 10.310 -0.976 -5.846 1.00 0.44 C ATOM 0 H ALA A 21 9.361 -1.485 -3.648 1.00 0.33 H new ATOM 0 HA ALA A 21 8.206 -1.153 -6.182 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.549 -0.873 -6.904 1.00 0.44 H new ATOM 0 HB2 ALA A 21 10.220 0.013 -5.396 1.00 0.44 H new ATOM 0 HB3 ALA A 21 11.105 -1.530 -5.347 1.00 0.44 H new ATOM 313 N LYS A 22 9.801 -3.987 -5.708 1.00 0.36 N ATOM 314 CA LYS A 22 9.954 -5.354 -6.175 1.00 0.42 C ATOM 315 C LYS A 22 8.627 -6.114 -6.127 1.00 0.37 C ATOM 316 O LYS A 22 8.250 -6.778 -7.095 1.00 0.47 O ATOM 317 CB LYS A 22 11.012 -6.061 -5.323 1.00 0.53 C ATOM 318 CG LYS A 22 11.285 -7.496 -5.733 1.00 1.22 C ATOM 319 CD LYS A 22 12.451 -8.073 -4.951 1.00 1.84 C ATOM 320 CE LYS A 22 12.647 -9.549 -5.248 1.00 2.65 C ATOM 321 NZ LYS A 22 11.547 -10.380 -4.688 1.00 3.41 N ATOM 0 H LYS A 22 10.298 -3.786 -4.840 1.00 0.36 H new ATOM 0 HA LYS A 22 10.277 -5.334 -7.216 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.943 -5.496 -5.378 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.692 -6.047 -4.281 1.00 0.53 H new ATOM 0 HG2 LYS A 22 10.395 -8.102 -5.565 1.00 1.22 H new ATOM 0 HG3 LYS A 22 11.502 -7.538 -6.800 1.00 1.22 H new ATOM 0 HD2 LYS A 22 13.362 -7.527 -5.199 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.278 -7.936 -3.884 1.00 1.84 H new ATOM 0 HE2 LYS A 22 12.701 -9.698 -6.326 1.00 2.65 H new ATOM 0 HE3 LYS A 22 13.599 -9.879 -4.832 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 11.807 -11.385 -4.747 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 11.388 -10.121 -3.693 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 10.676 -10.215 -5.232 1.00 3.41 H new ATOM 335 N GLN A 23 7.917 -5.988 -5.007 1.00 0.33 N ATOM 336 CA GLN A 23 6.702 -6.767 -4.766 1.00 0.39 C ATOM 337 C GLN A 23 5.587 -6.472 -5.773 1.00 0.40 C ATOM 338 O GLN A 23 4.915 -7.393 -6.241 1.00 0.49 O ATOM 339 CB GLN A 23 6.178 -6.529 -3.347 1.00 0.52 C ATOM 340 CG GLN A 23 6.472 -7.672 -2.380 1.00 0.76 C ATOM 341 CD GLN A 23 7.938 -7.786 -2.016 1.00 0.78 C ATOM 342 OE1 GLN A 23 8.711 -8.457 -2.697 1.00 1.52 O ATOM 343 NE2 GLN A 23 8.327 -7.157 -0.916 1.00 1.29 N ATOM 0 H GLN A 23 8.163 -5.351 -4.249 1.00 0.33 H new ATOM 0 HA GLN A 23 6.987 -7.812 -4.890 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.620 -5.612 -2.956 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.100 -6.370 -3.390 1.00 0.52 H new ATOM 0 HG2 GLN A 23 5.889 -7.528 -1.470 1.00 0.76 H new ATOM 0 HG3 GLN A 23 6.141 -8.610 -2.826 1.00 0.76 H new ATOM 0 HE21 GLN A 23 7.656 -6.610 -0.377 1.00 1.29 H new ATOM 0 HE22 GLN A 23 9.297 -7.220 -0.608 1.00 1.29 H new ATOM 352 N THR A 24 5.380 -5.206 -6.110 1.00 0.38 N ATOM 353 CA THR A 24 4.263 -4.845 -6.979 1.00 0.47 C ATOM 354 C THR A 24 4.725 -4.396 -8.359 1.00 0.48 C ATOM 355 O THR A 24 3.920 -3.922 -9.166 1.00 0.76 O ATOM 356 CB THR A 24 3.383 -3.744 -6.355 1.00 0.54 C ATOM 357 OG1 THR A 24 4.205 -2.699 -5.822 1.00 0.62 O ATOM 358 CG2 THR A 24 2.495 -4.314 -5.257 1.00 0.62 C ATOM 0 H THR A 24 5.958 -4.423 -5.803 1.00 0.38 H new ATOM 0 HA THR A 24 3.670 -5.753 -7.091 1.00 0.47 H new ATOM 0 HB THR A 24 2.744 -3.336 -7.138 1.00 0.54 H new ATOM 0 HG1 THR A 24 4.423 -2.060 -6.532 1.00 0.62 H new ATOM 0 HG21 THR A 24 1.884 -3.517 -4.833 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.847 -5.084 -5.676 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.117 -4.749 -4.475 1.00 0.62 H new ATOM 366 N ASP A 25 6.019 -4.575 -8.623 1.00 0.41 N ATOM 367 CA ASP A 25 6.625 -4.188 -9.897 1.00 0.49 C ATOM 368 C ASP A 25 6.339 -2.718 -10.202 1.00 0.49 C ATOM 369 O ASP A 25 5.721 -2.373 -11.207 1.00 0.72 O ATOM 370 CB ASP A 25 6.117 -5.091 -11.029 1.00 0.68 C ATOM 371 CG ASP A 25 6.783 -4.798 -12.360 1.00 1.29 C ATOM 372 OD1 ASP A 25 8.005 -5.026 -12.484 1.00 1.57 O ATOM 373 OD2 ASP A 25 6.087 -4.336 -13.288 1.00 2.11 O ATOM 0 H ASP A 25 6.675 -4.991 -7.962 1.00 0.41 H new ATOM 0 HA ASP A 25 7.705 -4.314 -9.820 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.292 -6.133 -10.762 1.00 0.68 H new ATOM 0 HB3 ASP A 25 5.039 -4.965 -11.132 1.00 0.68 H new ATOM 378 N THR A 26 6.776 -1.848 -9.310 1.00 0.34 N ATOM 379 CA THR A 26 6.545 -0.426 -9.462 1.00 0.40 C ATOM 380 C THR A 26 7.835 0.338 -9.205 1.00 0.38 C ATOM 381 O THR A 26 8.757 -0.182 -8.573 1.00 0.40 O ATOM 382 CB THR A 26 5.459 0.054 -8.481 1.00 0.46 C ATOM 383 OG1 THR A 26 4.709 -1.072 -8.000 1.00 0.76 O ATOM 384 CG2 THR A 26 4.512 1.034 -9.155 1.00 0.72 C ATOM 0 H THR A 26 7.295 -2.104 -8.470 1.00 0.34 H new ATOM 0 HA THR A 26 6.207 -0.238 -10.481 1.00 0.40 H new ATOM 0 HB THR A 26 5.950 0.558 -7.649 1.00 0.46 H new ATOM 0 HG1 THR A 26 4.575 -1.712 -8.730 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.755 1.358 -8.441 1.00 0.72 H new ATOM 0 HG22 THR A 26 5.074 1.900 -9.506 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.028 0.548 -10.002 1.00 0.72 H new ATOM 392 N GLN A 27 7.904 1.565 -9.692 1.00 0.41 N ATOM 393 CA GLN A 27 9.097 2.376 -9.521 1.00 0.44 C ATOM 394 C GLN A 27 8.841 3.460 -8.487 1.00 0.46 C ATOM 395 O GLN A 27 7.882 4.220 -8.600 1.00 0.47 O ATOM 396 CB GLN A 27 9.538 2.996 -10.847 1.00 0.50 C ATOM 397 CG GLN A 27 10.835 3.781 -10.727 1.00 1.05 C ATOM 398 CD GLN A 27 11.311 4.369 -12.040 1.00 1.67 C ATOM 399 OE1 GLN A 27 10.520 4.684 -12.927 1.00 2.39 O ATOM 400 NE2 GLN A 27 12.617 4.524 -12.169 1.00 2.31 N ATOM 0 H GLN A 27 7.151 2.020 -10.207 1.00 0.41 H new ATOM 0 HA GLN A 27 9.903 1.732 -9.171 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.663 2.207 -11.588 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.752 3.656 -11.214 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.697 4.587 -10.006 1.00 1.05 H new ATOM 0 HG3 GLN A 27 11.611 3.127 -10.329 1.00 1.05 H new ATOM 0 HE21 GLN A 27 13.241 4.250 -11.410 1.00 2.31 H new ATOM 0 HE22 GLN A 27 13.001 4.917 -13.028 1.00 2.31 H new ATOM 409 N LEU A 28 9.692 3.518 -7.476 1.00 0.51 N ATOM 410 CA LEU A 28 9.524 4.472 -6.391 1.00 0.55 C ATOM 411 C LEU A 28 10.688 5.451 -6.363 1.00 0.58 C ATOM 412 O LEU A 28 11.849 5.050 -6.279 1.00 0.71 O ATOM 413 CB LEU A 28 9.403 3.748 -5.039 1.00 0.69 C ATOM 414 CG LEU A 28 8.054 3.064 -4.761 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.843 1.853 -5.656 1.00 1.51 C ATOM 416 CD2 LEU A 28 7.955 2.661 -3.299 1.00 1.30 C ATOM 0 H LEU A 28 10.509 2.914 -7.384 1.00 0.51 H new ATOM 0 HA LEU A 28 8.602 5.027 -6.565 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.189 2.995 -4.981 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.593 4.469 -4.244 1.00 0.69 H new ATOM 0 HG LEU A 28 7.268 3.784 -4.986 1.00 0.78 H new ATOM 0 HD11 LEU A 28 6.879 1.397 -5.430 1.00 1.51 H new ATOM 0 HD12 LEU A 28 7.861 2.165 -6.700 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.638 1.128 -5.480 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.994 2.178 -3.119 1.00 1.30 H new ATOM 0 HD22 LEU A 28 8.761 1.968 -3.057 1.00 1.30 H new ATOM 0 HD23 LEU A 28 8.039 3.548 -2.671 1.00 1.30 H new ATOM 428 N LEU A 29 10.371 6.732 -6.441 1.00 0.53 N ATOM 429 CA LEU A 29 11.379 7.781 -6.417 1.00 0.60 C ATOM 430 C LEU A 29 11.320 8.530 -5.097 1.00 0.63 C ATOM 431 O LEU A 29 10.295 9.117 -4.748 1.00 0.66 O ATOM 432 CB LEU A 29 11.185 8.764 -7.580 1.00 0.65 C ATOM 433 CG LEU A 29 11.973 8.446 -8.857 1.00 1.17 C ATOM 434 CD1 LEU A 29 13.464 8.414 -8.569 1.00 1.90 C ATOM 435 CD2 LEU A 29 11.525 7.127 -9.460 1.00 2.03 C ATOM 0 H LEU A 29 9.414 7.074 -6.522 1.00 0.53 H new ATOM 0 HA LEU A 29 12.356 7.311 -6.525 1.00 0.60 H new ATOM 0 HB2 LEU A 29 10.124 8.799 -7.829 1.00 0.65 H new ATOM 0 HB3 LEU A 29 11.466 9.761 -7.240 1.00 0.65 H new ATOM 0 HG LEU A 29 11.773 9.236 -9.580 1.00 1.17 H new ATOM 0 HD11 LEU A 29 14.007 8.187 -9.486 1.00 1.90 H new ATOM 0 HD12 LEU A 29 13.782 9.385 -8.190 1.00 1.90 H new ATOM 0 HD13 LEU A 29 13.674 7.647 -7.824 1.00 1.90 H new ATOM 0 HD21 LEU A 29 12.100 6.926 -10.364 1.00 2.03 H new ATOM 0 HD22 LEU A 29 11.688 6.324 -8.741 1.00 2.03 H new ATOM 0 HD23 LEU A 29 10.465 7.182 -9.709 1.00 2.03 H new ATOM 447 N TYR A 30 12.416 8.494 -4.359 1.00 0.65 N ATOM 448 CA TYR A 30 12.497 9.178 -3.082 1.00 0.72 C ATOM 449 C TYR A 30 13.936 9.576 -2.790 1.00 0.77 C ATOM 450 O TYR A 30 14.877 8.930 -3.252 1.00 0.82 O ATOM 451 CB TYR A 30 11.947 8.296 -1.953 1.00 0.72 C ATOM 452 CG TYR A 30 12.716 7.006 -1.730 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.440 5.871 -2.483 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.704 6.921 -0.755 1.00 0.80 C ATOM 455 CE1 TYR A 30 13.124 4.692 -2.272 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.396 5.745 -0.542 1.00 0.88 C ATOM 457 CZ TYR A 30 14.101 4.633 -1.302 1.00 0.83 C ATOM 458 OH TYR A 30 14.784 3.460 -1.084 1.00 0.96 O ATOM 0 H TYR A 30 13.265 7.996 -4.625 1.00 0.65 H new ATOM 0 HA TYR A 30 11.886 10.079 -3.137 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.949 8.870 -1.027 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.908 8.051 -2.174 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.677 5.913 -3.246 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.934 7.789 -0.155 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.895 3.819 -2.865 1.00 0.71 H new ATOM 0 HE2 TYR A 30 15.164 5.697 0.216 1.00 0.88 H new ATOM 0 HH TYR A 30 15.485 3.359 -1.762 1.00 0.96 H new ATOM 468 N SER A 31 14.099 10.642 -2.029 1.00 0.85 N ATOM 469 CA SER A 31 15.416 11.119 -1.660 1.00 0.97 C ATOM 470 C SER A 31 15.786 10.587 -0.280 1.00 0.88 C ATOM 471 O SER A 31 15.105 10.866 0.705 1.00 0.85 O ATOM 472 CB SER A 31 15.421 12.646 -1.661 1.00 1.20 C ATOM 473 OG SER A 31 14.749 13.148 -2.807 1.00 1.78 O ATOM 0 H SER A 31 13.330 11.196 -1.653 1.00 0.85 H new ATOM 0 HA SER A 31 16.152 10.762 -2.381 1.00 0.97 H new ATOM 0 HB2 SER A 31 14.937 13.017 -0.758 1.00 1.20 H new ATOM 0 HB3 SER A 31 16.448 13.012 -1.646 1.00 1.20 H new ATOM 0 HG SER A 31 14.761 14.128 -2.790 1.00 1.78 H new ATOM 479 N PRO A 32 16.873 9.800 -0.200 1.00 0.96 N ATOM 480 CA PRO A 32 17.309 9.161 1.049 1.00 0.99 C ATOM 481 C PRO A 32 17.603 10.171 2.156 1.00 1.01 C ATOM 482 O PRO A 32 17.470 9.871 3.341 1.00 1.05 O ATOM 483 CB PRO A 32 18.591 8.421 0.647 1.00 1.23 C ATOM 484 CG PRO A 32 18.493 8.252 -0.831 1.00 1.37 C ATOM 485 CD PRO A 32 17.759 9.461 -1.330 1.00 1.12 C ATOM 0 HA PRO A 32 16.535 8.512 1.459 1.00 0.99 H new ATOM 0 HB2 PRO A 32 19.478 8.992 0.921 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.664 7.457 1.150 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.482 8.180 -1.283 1.00 1.37 H new ATOM 0 HG3 PRO A 32 17.959 7.337 -1.086 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.441 10.278 -1.568 1.00 1.12 H new ATOM 0 HD3 PRO A 32 17.193 9.244 -2.236 1.00 1.12 H new ATOM 493 N GLU A 33 18.009 11.366 1.755 1.00 1.09 N ATOM 494 CA GLU A 33 18.275 12.448 2.691 1.00 1.26 C ATOM 495 C GLU A 33 16.974 13.060 3.210 1.00 1.23 C ATOM 496 O GLU A 33 16.939 13.640 4.291 1.00 1.39 O ATOM 497 CB GLU A 33 19.115 13.526 2.010 1.00 1.48 C ATOM 498 CG GLU A 33 20.504 13.057 1.613 1.00 1.99 C ATOM 499 CD GLU A 33 21.226 14.064 0.743 1.00 2.43 C ATOM 500 OE1 GLU A 33 21.680 15.099 1.269 1.00 2.96 O ATOM 501 OE2 GLU A 33 21.338 13.820 -0.477 1.00 2.83 O ATOM 0 H GLU A 33 18.163 11.612 0.777 1.00 1.09 H new ATOM 0 HA GLU A 33 18.822 12.037 3.539 1.00 1.26 H new ATOM 0 HB2 GLU A 33 18.591 13.875 1.120 1.00 1.48 H new ATOM 0 HB3 GLU A 33 19.207 14.380 2.681 1.00 1.48 H new ATOM 0 HG2 GLU A 33 21.092 12.869 2.512 1.00 1.99 H new ATOM 0 HG3 GLU A 33 20.426 12.110 1.080 1.00 1.99 H new ATOM 508 N ASP A 34 15.900 12.909 2.446 1.00 1.12 N ATOM 509 CA ASP A 34 14.640 13.578 2.759 1.00 1.23 C ATOM 510 C ASP A 34 13.674 12.651 3.479 1.00 1.17 C ATOM 511 O ASP A 34 12.568 13.051 3.831 1.00 1.38 O ATOM 512 CB ASP A 34 13.988 14.141 1.495 1.00 1.33 C ATOM 513 CG ASP A 34 14.622 15.444 1.052 1.00 1.71 C ATOM 514 OD1 ASP A 34 15.610 15.408 0.286 1.00 2.22 O ATOM 515 OD2 ASP A 34 14.136 16.514 1.470 1.00 2.14 O ATOM 0 H ASP A 34 15.874 12.331 1.606 1.00 1.12 H new ATOM 0 HA ASP A 34 14.875 14.405 3.429 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.067 13.409 0.691 1.00 1.33 H new ATOM 0 HB3 ASP A 34 12.925 14.300 1.677 1.00 1.33 H new ATOM 520 N ILE A 35 14.096 11.413 3.708 1.00 0.97 N ATOM 521 CA ILE A 35 13.258 10.453 4.418 1.00 0.97 C ATOM 522 C ILE A 35 13.679 10.380 5.880 1.00 1.02 C ATOM 523 O ILE A 35 13.209 9.529 6.631 1.00 1.09 O ATOM 524 CB ILE A 35 13.322 9.041 3.789 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.758 8.506 3.798 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.766 9.071 2.371 1.00 0.95 C ATOM 527 CD1 ILE A 35 14.895 7.103 3.247 1.00 0.82 C ATOM 0 H ILE A 35 15.004 11.052 3.416 1.00 0.97 H new ATOM 0 HA ILE A 35 12.228 10.802 4.341 1.00 0.97 H new ATOM 0 HB ILE A 35 12.709 8.367 4.388 1.00 0.88 H new ATOM 0 HG12 ILE A 35 15.389 9.177 3.215 1.00 0.78 H new ATOM 0 HG13 ILE A 35 15.135 8.522 4.821 1.00 0.78 H new ATOM 0 HG21 ILE A 35 12.817 8.071 1.939 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.728 9.404 2.394 1.00 0.95 H new ATOM 0 HG23 ILE A 35 13.355 9.759 1.764 1.00 0.95 H new ATOM 0 HD11 ILE A 35 15.940 6.797 3.287 1.00 0.82 H new ATOM 0 HD12 ILE A 35 14.293 6.418 3.843 1.00 0.82 H new ATOM 0 HD13 ILE A 35 14.551 7.083 2.213 1.00 0.82 H new ATOM 539 N GLY A 36 14.598 11.266 6.256 1.00 1.08 N ATOM 540 CA GLY A 36 14.987 11.436 7.649 1.00 1.25 C ATOM 541 C GLY A 36 15.631 10.214 8.274 1.00 1.17 C ATOM 542 O GLY A 36 15.864 10.195 9.484 1.00 1.40 O ATOM 0 H GLY A 36 15.089 11.881 5.607 1.00 1.08 H new ATOM 0 HA2 GLY A 36 15.681 12.274 7.720 1.00 1.25 H new ATOM 0 HA3 GLY A 36 14.104 11.703 8.230 1.00 1.25 H new ATOM 546 N GLY A 37 15.919 9.199 7.460 1.00 0.97 N ATOM 547 CA GLY A 37 16.488 7.966 7.972 1.00 0.96 C ATOM 548 C GLY A 37 15.619 7.330 9.042 1.00 0.88 C ATOM 549 O GLY A 37 16.127 6.742 10.000 1.00 1.05 O ATOM 0 H GLY A 37 15.767 9.211 6.451 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.622 7.262 7.151 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.477 8.168 8.383 1.00 0.96 H new ATOM 553 N LEU A 38 14.308 7.441 8.875 1.00 0.77 N ATOM 554 CA LEU A 38 13.363 6.952 9.870 1.00 0.83 C ATOM 555 C LEU A 38 12.849 5.569 9.488 1.00 0.66 C ATOM 556 O LEU A 38 13.037 5.121 8.351 1.00 0.67 O ATOM 557 CB LEU A 38 12.206 7.953 10.033 1.00 1.06 C ATOM 558 CG LEU A 38 11.460 8.341 8.752 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.377 7.326 8.416 1.00 1.72 C ATOM 560 CD2 LEU A 38 10.867 9.734 8.883 1.00 1.20 C ATOM 0 H LEU A 38 13.873 7.867 8.056 1.00 0.77 H new ATOM 0 HA LEU A 38 13.873 6.861 10.829 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.486 7.532 10.735 1.00 1.06 H new ATOM 0 HB3 LEU A 38 12.601 8.862 10.488 1.00 1.06 H new ATOM 0 HG LEU A 38 12.179 8.345 7.932 1.00 1.05 H new ATOM 0 HD11 LEU A 38 9.865 7.629 7.502 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.830 6.345 8.270 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.659 7.276 9.234 1.00 1.72 H new ATOM 0 HD21 LEU A 38 10.341 9.993 7.964 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.168 9.755 9.719 1.00 1.20 H new ATOM 0 HD23 LEU A 38 11.666 10.454 9.059 1.00 1.20 H new ATOM 572 N ARG A 39 12.211 4.894 10.438 1.00 0.68 N ATOM 573 CA ARG A 39 11.676 3.563 10.193 1.00 0.59 C ATOM 574 C ARG A 39 10.246 3.657 9.680 1.00 0.52 C ATOM 575 O ARG A 39 9.467 4.508 10.114 1.00 0.62 O ATOM 576 CB ARG A 39 11.734 2.693 11.454 1.00 0.66 C ATOM 577 CG ARG A 39 10.885 3.204 12.607 1.00 0.76 C ATOM 578 CD ARG A 39 11.011 2.300 13.818 1.00 1.12 C ATOM 579 NE ARG A 39 10.059 2.655 14.868 1.00 2.00 N ATOM 580 CZ ARG A 39 9.976 2.030 16.043 1.00 2.70 C ATOM 581 NH1 ARG A 39 10.846 1.081 16.362 1.00 2.71 N ATOM 582 NH2 ARG A 39 9.046 2.382 16.919 1.00 3.77 N ATOM 0 H ARG A 39 12.053 5.247 11.382 1.00 0.68 H new ATOM 0 HA ARG A 39 12.297 3.088 9.433 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.411 1.684 11.200 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.770 2.622 11.785 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.194 4.216 12.870 1.00 0.76 H new ATOM 0 HG3 ARG A 39 9.841 3.260 12.298 1.00 0.76 H new ATOM 0 HD2 ARG A 39 10.849 1.265 13.516 1.00 1.12 H new ATOM 0 HD3 ARG A 39 12.025 2.362 14.212 1.00 1.12 H new ATOM 0 HE ARG A 39 9.418 3.429 14.691 1.00 2.00 H new ATOM 0 HH11 ARG A 39 11.585 0.825 15.707 1.00 2.71 H new ATOM 0 HH12 ARG A 39 10.776 0.607 17.263 1.00 2.71 H new ATOM 0 HH21 ARG A 39 8.392 3.132 16.695 1.00 3.77 H new ATOM 0 HH22 ARG A 39 8.984 1.903 17.817 1.00 3.77 H new ATOM 596 N SER A 40 9.917 2.778 8.757 1.00 0.45 N ATOM 597 CA SER A 40 8.631 2.803 8.090 1.00 0.50 C ATOM 598 C SER A 40 7.551 2.100 8.908 1.00 0.49 C ATOM 599 O SER A 40 7.838 1.303 9.804 1.00 0.48 O ATOM 600 CB SER A 40 8.777 2.132 6.728 1.00 0.56 C ATOM 601 OG SER A 40 9.578 0.965 6.834 1.00 0.50 O ATOM 0 H SER A 40 10.533 2.026 8.448 1.00 0.45 H new ATOM 0 HA SER A 40 8.319 3.841 7.973 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.794 1.871 6.337 1.00 0.56 H new ATOM 0 HB3 SER A 40 9.228 2.827 6.020 1.00 0.56 H new ATOM 0 HG SER A 40 9.005 0.171 6.798 1.00 0.50 H new ATOM 607 N SER A 41 6.304 2.415 8.584 1.00 0.59 N ATOM 608 CA SER A 41 5.159 1.775 9.200 1.00 0.68 C ATOM 609 C SER A 41 4.800 0.545 8.382 1.00 0.65 C ATOM 610 O SER A 41 4.233 0.654 7.295 1.00 0.66 O ATOM 611 CB SER A 41 3.978 2.755 9.264 1.00 0.85 C ATOM 612 OG SER A 41 2.879 2.217 9.986 1.00 1.54 O ATOM 0 H SER A 41 6.062 3.120 7.888 1.00 0.59 H new ATOM 0 HA SER A 41 5.397 1.475 10.221 1.00 0.68 H new ATOM 0 HB2 SER A 41 4.302 3.683 9.735 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.659 3.006 8.252 1.00 0.85 H new ATOM 0 HG SER A 41 2.149 2.871 10.006 1.00 1.54 H new ATOM 618 N ALA A 42 5.168 -0.616 8.904 1.00 0.69 N ATOM 619 CA ALA A 42 5.028 -1.876 8.185 1.00 0.72 C ATOM 620 C ALA A 42 3.594 -2.127 7.729 1.00 0.63 C ATOM 621 O ALA A 42 2.677 -2.226 8.548 1.00 0.66 O ATOM 622 CB ALA A 42 5.507 -3.026 9.053 1.00 0.84 C ATOM 0 H ALA A 42 5.571 -0.712 9.836 1.00 0.69 H new ATOM 0 HA ALA A 42 5.646 -1.809 7.289 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.399 -3.963 8.507 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.555 -2.875 9.311 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.911 -3.066 9.965 1.00 0.84 H new ATOM 628 N LEU A 43 3.413 -2.228 6.420 1.00 0.59 N ATOM 629 CA LEU A 43 2.129 -2.607 5.857 1.00 0.54 C ATOM 630 C LEU A 43 2.229 -4.053 5.393 1.00 0.45 C ATOM 631 O LEU A 43 2.521 -4.337 4.232 1.00 0.51 O ATOM 632 CB LEU A 43 1.751 -1.675 4.690 1.00 0.65 C ATOM 633 CG LEU A 43 0.245 -1.521 4.410 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.383 -2.839 3.984 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.466 -0.966 5.635 1.00 1.42 C ATOM 0 H LEU A 43 4.142 -2.052 5.728 1.00 0.59 H new ATOM 0 HA LEU A 43 1.345 -2.513 6.608 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.166 -0.687 4.891 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.233 -2.045 3.785 1.00 0.65 H new ATOM 0 HG LEU A 43 0.131 -0.818 3.585 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.446 -2.691 3.795 1.00 1.42 H new ATOM 0 HD12 LEU A 43 0.101 -3.196 3.075 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.254 -3.576 4.776 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.530 -0.862 5.422 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.328 -1.647 6.475 1.00 1.42 H new ATOM 0 HD23 LEU A 43 -0.050 0.009 5.887 1.00 1.42 H new ATOM 647 N LYS A 44 2.009 -4.959 6.327 1.00 0.43 N ATOM 648 CA LYS A 44 2.191 -6.380 6.086 1.00 0.43 C ATOM 649 C LYS A 44 0.840 -7.083 6.026 1.00 0.41 C ATOM 650 O LYS A 44 0.214 -7.324 7.058 1.00 0.50 O ATOM 651 CB LYS A 44 3.052 -6.964 7.209 1.00 0.61 C ATOM 652 CG LYS A 44 3.454 -8.417 7.014 1.00 0.88 C ATOM 653 CD LYS A 44 4.227 -8.921 8.224 1.00 1.15 C ATOM 654 CE LYS A 44 4.654 -10.371 8.076 1.00 1.77 C ATOM 655 NZ LYS A 44 5.680 -10.553 7.016 1.00 2.43 N ATOM 0 H LYS A 44 1.700 -4.733 7.272 1.00 0.43 H new ATOM 0 HA LYS A 44 2.691 -6.531 5.129 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.955 -6.362 7.306 1.00 0.61 H new ATOM 0 HB3 LYS A 44 2.507 -6.875 8.149 1.00 0.61 H new ATOM 0 HG2 LYS A 44 2.565 -9.029 6.861 1.00 0.88 H new ATOM 0 HG3 LYS A 44 4.066 -8.514 6.117 1.00 0.88 H new ATOM 0 HD2 LYS A 44 5.109 -8.299 8.373 1.00 1.15 H new ATOM 0 HD3 LYS A 44 3.609 -8.816 9.116 1.00 1.15 H new ATOM 0 HE2 LYS A 44 5.050 -10.729 9.026 1.00 1.77 H new ATOM 0 HE3 LYS A 44 3.782 -10.982 7.843 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 6.322 -11.326 7.284 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 5.213 -10.787 6.117 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 6.224 -9.674 6.905 1.00 2.43 H new ATOM 669 N GLY A 45 0.387 -7.395 4.820 1.00 0.37 N ATOM 670 CA GLY A 45 -0.892 -8.055 4.662 1.00 0.37 C ATOM 671 C GLY A 45 -1.295 -8.192 3.211 1.00 0.33 C ATOM 672 O GLY A 45 -0.466 -8.038 2.313 1.00 0.34 O ATOM 0 H GLY A 45 0.882 -7.203 3.949 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.846 -9.044 5.118 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.657 -7.492 5.197 1.00 0.37 H new ATOM 676 N ARG A 46 -2.570 -8.471 2.979 1.00 0.35 N ATOM 677 CA ARG A 46 -3.080 -8.656 1.631 1.00 0.36 C ATOM 678 C ARG A 46 -3.939 -7.463 1.244 1.00 0.34 C ATOM 679 O ARG A 46 -5.099 -7.368 1.646 1.00 0.48 O ATOM 680 CB ARG A 46 -3.904 -9.943 1.539 1.00 0.49 C ATOM 681 CG ARG A 46 -3.945 -10.541 0.143 1.00 0.97 C ATOM 682 CD ARG A 46 -4.948 -11.684 0.042 1.00 1.13 C ATOM 683 NE ARG A 46 -6.302 -11.206 -0.257 1.00 1.77 N ATOM 684 CZ ARG A 46 -7.364 -12.008 -0.384 1.00 2.26 C ATOM 685 NH1 ARG A 46 -7.269 -13.299 -0.088 1.00 2.15 N ATOM 686 NH2 ARG A 46 -8.527 -11.505 -0.781 1.00 3.27 N ATOM 0 H ARG A 46 -3.272 -8.574 3.712 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.237 -8.736 0.944 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.491 -10.679 2.228 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.923 -9.736 1.867 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -4.206 -9.765 -0.577 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -2.953 -10.904 -0.125 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -4.629 -12.378 -0.736 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -4.959 -12.240 0.980 1.00 1.13 H new ATOM 0 HE ARG A 46 -6.442 -10.203 -0.375 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -6.382 -13.684 0.238 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -8.083 -13.906 -0.187 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -8.608 -10.510 -0.988 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -9.339 -12.114 -0.879 1.00 3.27 H new ATOM 700 N HIS A 47 -3.369 -6.542 0.489 1.00 0.32 N ATOM 701 CA HIS A 47 -4.085 -5.334 0.093 1.00 0.45 C ATOM 702 C HIS A 47 -3.794 -4.978 -1.358 1.00 0.43 C ATOM 703 O HIS A 47 -2.893 -5.545 -1.980 1.00 0.46 O ATOM 704 CB HIS A 47 -3.697 -4.149 0.986 1.00 0.68 C ATOM 705 CG HIS A 47 -4.370 -4.129 2.325 1.00 1.01 C ATOM 706 ND1 HIS A 47 -5.379 -3.244 2.639 1.00 1.79 N ATOM 707 CD2 HIS A 47 -4.163 -4.867 3.442 1.00 1.21 C ATOM 708 CE1 HIS A 47 -5.758 -3.437 3.888 1.00 1.98 C ATOM 709 NE2 HIS A 47 -5.038 -4.416 4.398 1.00 1.57 N ATOM 0 H HIS A 47 -2.414 -6.603 0.136 1.00 0.32 H new ATOM 0 HA HIS A 47 -5.150 -5.537 0.206 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.618 -4.163 1.137 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -3.933 -3.223 0.461 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -3.443 -5.663 3.559 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -6.529 -2.885 4.406 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -5.118 -4.779 5.348 1.00 1.57 H new ATOM 718 N ASP A 48 -4.578 -4.046 -1.885 1.00 0.47 N ATOM 719 CA ASP A 48 -4.319 -3.471 -3.198 1.00 0.55 C ATOM 720 C ASP A 48 -3.125 -2.528 -3.107 1.00 0.48 C ATOM 721 O ASP A 48 -2.680 -2.196 -2.003 1.00 0.44 O ATOM 722 CB ASP A 48 -5.529 -2.682 -3.721 1.00 0.70 C ATOM 723 CG ASP A 48 -6.747 -3.536 -4.020 1.00 1.20 C ATOM 724 OD1 ASP A 48 -7.380 -4.037 -3.065 1.00 1.86 O ATOM 725 OD2 ASP A 48 -7.046 -3.755 -5.213 1.00 1.80 O ATOM 0 H ASP A 48 -5.404 -3.670 -1.419 1.00 0.47 H new ATOM 0 HA ASP A 48 -4.117 -4.290 -3.888 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.801 -1.926 -2.985 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.239 -2.153 -4.629 1.00 0.70 H new ATOM 730 N LEU A 49 -2.621 -2.084 -4.247 1.00 0.50 N ATOM 731 CA LEU A 49 -1.475 -1.184 -4.269 1.00 0.51 C ATOM 732 C LEU A 49 -1.788 0.116 -3.524 1.00 0.42 C ATOM 733 O LEU A 49 -1.125 0.455 -2.540 1.00 0.43 O ATOM 734 CB LEU A 49 -1.057 -0.884 -5.711 1.00 0.61 C ATOM 735 CG LEU A 49 0.167 0.027 -5.861 1.00 0.73 C ATOM 736 CD1 LEU A 49 1.388 -0.600 -5.201 1.00 1.16 C ATOM 737 CD2 LEU A 49 0.444 0.303 -7.330 1.00 1.18 C ATOM 0 H LEU A 49 -2.985 -2.330 -5.168 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.646 -1.678 -3.761 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.851 -1.828 -6.216 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.899 -0.423 -6.228 1.00 0.61 H new ATOM 0 HG LEU A 49 -0.046 0.972 -5.362 1.00 0.73 H new ATOM 0 HD11 LEU A 49 2.246 0.062 -5.319 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.190 -0.752 -4.140 1.00 1.16 H new ATOM 0 HD13 LEU A 49 1.603 -1.559 -5.671 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.316 0.951 -7.420 1.00 1.18 H new ATOM 0 HD22 LEU A 49 0.636 -0.637 -7.847 1.00 1.18 H new ATOM 0 HD23 LEU A 49 -0.421 0.793 -7.777 1.00 1.18 H new ATOM 749 N GLN A 50 -2.821 0.822 -3.979 1.00 0.41 N ATOM 750 CA GLN A 50 -3.192 2.108 -3.390 1.00 0.42 C ATOM 751 C GLN A 50 -3.660 1.962 -1.946 1.00 0.39 C ATOM 752 O GLN A 50 -3.471 2.871 -1.137 1.00 0.41 O ATOM 753 CB GLN A 50 -4.267 2.802 -4.221 1.00 0.52 C ATOM 754 CG GLN A 50 -3.735 3.404 -5.510 1.00 1.21 C ATOM 755 CD GLN A 50 -4.784 4.201 -6.258 1.00 1.67 C ATOM 756 OE1 GLN A 50 -4.469 5.186 -6.929 1.00 2.15 O ATOM 757 NE2 GLN A 50 -6.034 3.777 -6.162 1.00 2.39 N ATOM 0 H GLN A 50 -3.416 0.526 -4.753 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.293 2.725 -3.389 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -5.051 2.084 -4.460 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.727 3.589 -3.623 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -2.887 4.050 -5.282 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -3.364 2.606 -6.153 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -6.252 2.957 -5.596 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -6.779 4.270 -6.654 1.00 2.39 H new ATOM 766 N SER A 51 -4.265 0.826 -1.623 1.00 0.41 N ATOM 767 CA SER A 51 -4.721 0.572 -0.262 1.00 0.46 C ATOM 768 C SER A 51 -3.536 0.595 0.695 1.00 0.41 C ATOM 769 O SER A 51 -3.549 1.291 1.712 1.00 0.43 O ATOM 770 CB SER A 51 -5.430 -0.785 -0.199 1.00 0.57 C ATOM 771 OG SER A 51 -6.035 -1.004 1.064 1.00 1.33 O ATOM 0 H SER A 51 -4.451 0.069 -2.281 1.00 0.41 H new ATOM 0 HA SER A 51 -5.424 1.351 0.034 1.00 0.46 H new ATOM 0 HB2 SER A 51 -6.189 -0.835 -0.979 1.00 0.57 H new ATOM 0 HB3 SER A 51 -4.712 -1.580 -0.401 1.00 0.57 H new ATOM 0 HG SER A 51 -5.755 -1.876 1.414 1.00 1.33 H new ATOM 777 N SER A 52 -2.506 -0.162 0.346 1.00 0.40 N ATOM 778 CA SER A 52 -1.291 -0.222 1.139 1.00 0.43 C ATOM 779 C SER A 52 -0.622 1.149 1.212 1.00 0.41 C ATOM 780 O SER A 52 -0.220 1.593 2.284 1.00 0.45 O ATOM 781 CB SER A 52 -0.343 -1.250 0.531 1.00 0.49 C ATOM 782 OG SER A 52 -1.018 -2.480 0.314 1.00 1.21 O ATOM 0 H SER A 52 -2.490 -0.747 -0.489 1.00 0.40 H new ATOM 0 HA SER A 52 -1.544 -0.522 2.156 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.054 -0.875 -0.412 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.507 -1.407 1.195 1.00 0.49 H new ATOM 0 HG SER A 52 -1.519 -2.434 -0.527 1.00 1.21 H new ATOM 788 N LEU A 53 -0.532 1.818 0.065 1.00 0.39 N ATOM 789 CA LEU A 53 0.073 3.144 -0.020 1.00 0.41 C ATOM 790 C LEU A 53 -0.592 4.133 0.931 1.00 0.40 C ATOM 791 O LEU A 53 0.086 4.834 1.683 1.00 0.46 O ATOM 792 CB LEU A 53 -0.020 3.666 -1.457 1.00 0.44 C ATOM 793 CG LEU A 53 1.021 3.102 -2.423 1.00 0.51 C ATOM 794 CD1 LEU A 53 0.509 3.157 -3.852 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.318 3.884 -2.308 1.00 0.56 C ATOM 0 H LEU A 53 -0.874 1.459 -0.826 1.00 0.39 H new ATOM 0 HA LEU A 53 1.118 3.051 0.274 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -1.013 3.439 -1.845 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.075 4.752 -1.439 1.00 0.44 H new ATOM 0 HG LEU A 53 1.207 2.061 -2.159 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.264 2.751 -4.525 1.00 0.70 H new ATOM 0 HD12 LEU A 53 -0.404 2.568 -3.934 1.00 0.70 H new ATOM 0 HD13 LEU A 53 0.299 4.192 -4.124 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.053 3.474 -3.001 1.00 0.56 H new ATOM 0 HD22 LEU A 53 2.135 4.931 -2.551 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.699 3.810 -1.289 1.00 0.56 H new ATOM 807 N ARG A 54 -1.919 4.176 0.905 1.00 0.38 N ATOM 808 CA ARG A 54 -2.668 5.121 1.723 1.00 0.43 C ATOM 809 C ARG A 54 -2.400 4.905 3.211 1.00 0.42 C ATOM 810 O ARG A 54 -2.092 5.849 3.934 1.00 0.48 O ATOM 811 CB ARG A 54 -4.169 4.999 1.443 1.00 0.51 C ATOM 812 CG ARG A 54 -5.019 5.917 2.303 1.00 1.10 C ATOM 813 CD ARG A 54 -6.502 5.715 2.048 1.00 1.31 C ATOM 814 NE ARG A 54 -7.321 6.468 2.997 1.00 1.87 N ATOM 815 CZ ARG A 54 -8.646 6.373 3.083 1.00 2.48 C ATOM 816 NH1 ARG A 54 -9.318 5.593 2.243 1.00 2.70 N ATOM 817 NH2 ARG A 54 -9.303 7.066 4.006 1.00 3.38 N ATOM 0 H ARG A 54 -2.498 3.567 0.326 1.00 0.38 H new ATOM 0 HA ARG A 54 -2.333 6.124 1.458 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -4.354 5.223 0.392 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.479 3.967 1.609 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.803 5.733 3.355 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -4.753 6.954 2.100 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -6.742 6.027 1.032 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.743 4.654 2.121 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.846 7.107 3.634 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -8.819 5.064 1.528 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -10.333 5.524 2.313 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -8.792 7.671 4.649 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -10.318 6.993 4.072 1.00 3.38 H new ATOM 831 N ILE A 55 -2.497 3.660 3.657 1.00 0.42 N ATOM 832 CA ILE A 55 -2.375 3.349 5.080 1.00 0.47 C ATOM 833 C ILE A 55 -0.932 3.479 5.558 1.00 0.49 C ATOM 834 O ILE A 55 -0.678 3.889 6.694 1.00 0.59 O ATOM 835 CB ILE A 55 -2.892 1.925 5.391 1.00 0.56 C ATOM 836 CG1 ILE A 55 -4.322 1.758 4.876 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.837 1.648 6.887 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.872 0.361 5.066 1.00 1.24 C ATOM 0 H ILE A 55 -2.659 2.850 3.059 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.989 4.074 5.614 1.00 0.47 H new ATOM 0 HB ILE A 55 -2.248 1.207 4.884 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.970 2.468 5.390 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -4.350 2.010 3.816 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -3.205 0.641 7.084 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.808 1.733 7.235 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -3.459 2.371 7.414 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.890 0.315 4.678 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -4.247 -0.352 4.529 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.876 0.113 6.127 1.00 1.24 H new ATOM 850 N LEU A 56 0.011 3.141 4.691 1.00 0.45 N ATOM 851 CA LEU A 56 1.423 3.163 5.052 1.00 0.52 C ATOM 852 C LEU A 56 1.920 4.601 5.202 1.00 0.53 C ATOM 853 O LEU A 56 2.541 4.949 6.209 1.00 0.65 O ATOM 854 CB LEU A 56 2.241 2.415 3.986 1.00 0.57 C ATOM 855 CG LEU A 56 3.637 1.928 4.407 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.167 0.930 3.386 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.617 3.086 4.547 1.00 1.63 C ATOM 0 H LEU A 56 -0.175 2.848 3.732 1.00 0.45 H new ATOM 0 HA LEU A 56 1.550 2.663 6.012 1.00 0.52 H new ATOM 0 HB2 LEU A 56 1.663 1.551 3.657 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.355 3.070 3.122 1.00 0.57 H new ATOM 0 HG LEU A 56 3.542 1.447 5.380 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.157 0.589 3.690 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.491 0.077 3.327 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.233 1.409 2.409 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.593 2.703 4.846 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.707 3.604 3.592 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.253 3.781 5.304 1.00 1.63 H new ATOM 869 N LEU A 57 1.635 5.432 4.208 1.00 0.51 N ATOM 870 CA LEU A 57 2.175 6.787 4.162 1.00 0.63 C ATOM 871 C LEU A 57 1.447 7.730 5.115 1.00 0.72 C ATOM 872 O LEU A 57 2.072 8.622 5.691 1.00 1.16 O ATOM 873 CB LEU A 57 2.127 7.348 2.736 1.00 0.80 C ATOM 874 CG LEU A 57 3.276 6.928 1.803 1.00 1.29 C ATOM 875 CD1 LEU A 57 4.619 7.386 2.355 1.00 1.68 C ATOM 876 CD2 LEU A 57 3.284 5.422 1.572 1.00 2.17 C ATOM 0 H LEU A 57 1.032 5.192 3.421 1.00 0.51 H new ATOM 0 HA LEU A 57 3.214 6.721 4.486 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.186 7.043 2.279 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.114 8.436 2.796 1.00 0.80 H new ATOM 0 HG LEU A 57 3.111 7.415 0.842 1.00 1.29 H new ATOM 0 HD11 LEU A 57 5.415 7.077 1.678 1.00 1.68 H new ATOM 0 HD12 LEU A 57 4.623 8.472 2.448 1.00 1.68 H new ATOM 0 HD13 LEU A 57 4.782 6.937 3.335 1.00 1.68 H new ATOM 0 HD21 LEU A 57 4.108 5.160 0.909 1.00 2.17 H new ATOM 0 HD22 LEU A 57 3.408 4.908 2.525 1.00 2.17 H new ATOM 0 HD23 LEU A 57 2.341 5.119 1.117 1.00 2.17 H new ATOM 888 N GLN A 58 0.132 7.556 5.249 1.00 0.61 N ATOM 889 CA GLN A 58 -0.676 8.392 6.139 1.00 0.79 C ATOM 890 C GLN A 58 -0.064 8.482 7.536 1.00 1.05 C ATOM 891 O GLN A 58 -0.053 7.499 8.285 1.00 2.03 O ATOM 892 CB GLN A 58 -2.102 7.852 6.245 1.00 0.90 C ATOM 893 CG GLN A 58 -3.060 8.815 6.925 1.00 1.29 C ATOM 894 CD GLN A 58 -4.411 8.201 7.225 1.00 1.60 C ATOM 895 OE1 GLN A 58 -5.433 8.883 7.173 1.00 2.30 O ATOM 896 NE2 GLN A 58 -4.429 6.925 7.576 1.00 1.85 N ATOM 0 H GLN A 58 -0.398 6.841 4.751 1.00 0.61 H new ATOM 0 HA GLN A 58 -0.698 9.392 5.705 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.473 7.627 5.245 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -2.087 6.913 6.799 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.613 9.166 7.855 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -3.199 9.689 6.289 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -3.560 6.392 7.607 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -5.312 6.474 7.815 1.00 1.85 H new ATOM 905 N GLY A 59 0.448 9.659 7.876 1.00 0.97 N ATOM 906 CA GLY A 59 1.028 9.869 9.185 1.00 1.28 C ATOM 907 C GLY A 59 2.473 9.428 9.248 1.00 1.13 C ATOM 908 O GLY A 59 2.806 8.479 9.957 1.00 1.42 O ATOM 0 H GLY A 59 0.471 10.474 7.264 1.00 0.97 H new ATOM 0 HA2 GLY A 59 0.961 10.925 9.445 1.00 1.28 H new ATOM 0 HA3 GLY A 59 0.450 9.320 9.929 1.00 1.28 H new ATOM 912 N THR A 60 3.327 10.114 8.505 1.00 0.95 N ATOM 913 CA THR A 60 4.752 9.791 8.456 1.00 0.99 C ATOM 914 C THR A 60 5.592 11.056 8.328 1.00 1.06 C ATOM 915 O THR A 60 6.704 11.135 8.852 1.00 1.25 O ATOM 916 CB THR A 60 5.100 8.863 7.273 1.00 1.04 C ATOM 917 OG1 THR A 60 4.584 9.414 6.055 1.00 0.99 O ATOM 918 CG2 THR A 60 4.558 7.457 7.480 1.00 1.21 C ATOM 0 H THR A 60 3.059 10.906 7.921 1.00 0.95 H new ATOM 0 HA THR A 60 4.978 9.277 9.390 1.00 0.99 H new ATOM 0 HB THR A 60 6.186 8.792 7.212 1.00 1.04 H new ATOM 0 HG1 THR A 60 3.659 9.117 5.928 1.00 0.99 H new ATOM 0 HG21 THR A 60 4.824 6.835 6.625 1.00 1.21 H new ATOM 0 HG22 THR A 60 4.988 7.031 8.387 1.00 1.21 H new ATOM 0 HG23 THR A 60 3.473 7.496 7.576 1.00 1.21 H new ATOM 926 N GLY A 61 5.047 12.043 7.623 1.00 1.08 N ATOM 927 CA GLY A 61 5.791 13.242 7.314 1.00 1.32 C ATOM 928 C GLY A 61 6.075 13.327 5.832 1.00 1.26 C ATOM 929 O GLY A 61 6.406 14.390 5.304 1.00 1.35 O ATOM 0 H GLY A 61 4.094 12.029 7.259 1.00 1.08 H new ATOM 0 HA2 GLY A 61 5.226 14.118 7.632 1.00 1.32 H new ATOM 0 HA3 GLY A 61 6.729 13.248 7.870 1.00 1.32 H new ATOM 933 N LEU A 62 5.910 12.202 5.152 1.00 1.16 N ATOM 934 CA LEU A 62 6.135 12.126 3.721 1.00 1.11 C ATOM 935 C LEU A 62 4.803 11.984 2.988 1.00 1.07 C ATOM 936 O LEU A 62 3.828 11.492 3.554 1.00 1.14 O ATOM 937 CB LEU A 62 7.049 10.941 3.398 1.00 1.10 C ATOM 938 CG LEU A 62 8.417 10.972 4.083 1.00 1.19 C ATOM 939 CD1 LEU A 62 9.190 9.694 3.801 1.00 1.23 C ATOM 940 CD2 LEU A 62 9.212 12.187 3.633 1.00 1.28 C ATOM 0 H LEU A 62 5.618 11.322 5.576 1.00 1.16 H new ATOM 0 HA LEU A 62 6.620 13.044 3.388 1.00 1.11 H new ATOM 0 HB2 LEU A 62 6.539 10.020 3.681 1.00 1.10 H new ATOM 0 HB3 LEU A 62 7.201 10.902 2.319 1.00 1.10 H new ATOM 0 HG LEU A 62 8.258 11.044 5.159 1.00 1.19 H new ATOM 0 HD11 LEU A 62 10.159 9.738 4.298 1.00 1.23 H new ATOM 0 HD12 LEU A 62 8.628 8.839 4.176 1.00 1.23 H new ATOM 0 HD13 LEU A 62 9.338 9.588 2.726 1.00 1.23 H new ATOM 0 HD21 LEU A 62 10.182 12.192 4.131 1.00 1.28 H new ATOM 0 HD22 LEU A 62 9.358 12.147 2.554 1.00 1.28 H new ATOM 0 HD23 LEU A 62 8.667 13.095 3.892 1.00 1.28 H new ATOM 952 N ARG A 63 4.771 12.414 1.739 1.00 1.01 N ATOM 953 CA ARG A 63 3.559 12.370 0.938 1.00 1.03 C ATOM 954 C ARG A 63 3.775 11.481 -0.280 1.00 0.92 C ATOM 955 O ARG A 63 4.826 11.547 -0.924 1.00 0.87 O ATOM 956 CB ARG A 63 3.169 13.785 0.501 1.00 1.15 C ATOM 957 CG ARG A 63 1.942 13.842 -0.393 1.00 1.51 C ATOM 958 CD ARG A 63 1.638 15.266 -0.827 1.00 1.78 C ATOM 959 NE ARG A 63 2.778 15.892 -1.505 1.00 2.51 N ATOM 960 CZ ARG A 63 2.674 16.898 -2.376 1.00 3.28 C ATOM 961 NH1 ARG A 63 1.483 17.392 -2.692 1.00 3.53 N ATOM 962 NH2 ARG A 63 3.765 17.410 -2.932 1.00 4.21 N ATOM 0 H ARG A 63 5.580 12.802 1.253 1.00 1.01 H new ATOM 0 HA ARG A 63 2.749 11.954 1.537 1.00 1.03 H new ATOM 0 HB2 ARG A 63 2.987 14.391 1.389 1.00 1.15 H new ATOM 0 HB3 ARG A 63 4.010 14.236 -0.025 1.00 1.15 H new ATOM 0 HG2 ARG A 63 2.101 13.218 -1.272 1.00 1.51 H new ATOM 0 HG3 ARG A 63 1.084 13.431 0.138 1.00 1.51 H new ATOM 0 HD2 ARG A 63 0.776 15.265 -1.494 1.00 1.78 H new ATOM 0 HD3 ARG A 63 1.365 15.860 0.045 1.00 1.78 H new ATOM 0 HE ARG A 63 3.711 15.535 -1.297 1.00 2.51 H new ATOM 0 HH11 ARG A 63 0.641 17.003 -2.268 1.00 3.53 H new ATOM 0 HH12 ARG A 63 1.410 18.161 -3.358 1.00 3.53 H new ATOM 0 HH21 ARG A 63 4.683 17.035 -2.694 1.00 4.21 H new ATOM 0 HH22 ARG A 63 3.685 18.179 -3.598 1.00 4.21 H new ATOM 976 N TYR A 64 2.788 10.654 -0.595 1.00 0.96 N ATOM 977 CA TYR A 64 2.909 9.735 -1.717 1.00 0.91 C ATOM 978 C TYR A 64 2.181 10.275 -2.945 1.00 0.89 C ATOM 979 O TYR A 64 0.974 10.518 -2.919 1.00 0.94 O ATOM 980 CB TYR A 64 2.401 8.325 -1.353 1.00 0.92 C ATOM 981 CG TYR A 64 0.901 8.208 -1.143 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.291 8.726 -0.006 1.00 1.02 C ATOM 983 CD2 TYR A 64 0.101 7.568 -2.083 1.00 1.06 C ATOM 984 CE1 TYR A 64 -1.072 8.607 0.187 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.263 7.450 -1.896 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.844 7.972 -0.760 1.00 1.20 C ATOM 987 OH TYR A 64 -3.201 7.856 -0.567 1.00 1.37 O ATOM 0 H TYR A 64 1.901 10.601 -0.094 1.00 0.96 H new ATOM 0 HA TYR A 64 3.969 9.650 -1.958 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.695 7.636 -2.144 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.905 7.999 -0.443 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.892 9.229 0.737 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.553 7.157 -2.973 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -1.530 9.011 1.078 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.871 6.951 -2.636 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.600 7.383 -1.327 1.00 1.37 H new ATOM 997 N GLN A 65 2.937 10.508 -4.002 1.00 0.90 N ATOM 998 CA GLN A 65 2.369 10.893 -5.283 1.00 0.93 C ATOM 999 C GLN A 65 2.499 9.748 -6.274 1.00 0.87 C ATOM 1000 O GLN A 65 3.554 9.131 -6.379 1.00 0.86 O ATOM 1001 CB GLN A 65 3.074 12.132 -5.838 1.00 1.03 C ATOM 1002 CG GLN A 65 2.808 13.404 -5.048 1.00 1.59 C ATOM 1003 CD GLN A 65 1.353 13.835 -5.106 1.00 2.07 C ATOM 1004 OE1 GLN A 65 0.547 13.466 -4.255 1.00 2.64 O ATOM 1005 NE2 GLN A 65 1.000 14.608 -6.122 1.00 2.63 N ATOM 0 H GLN A 65 3.955 10.437 -3.999 1.00 0.90 H new ATOM 0 HA GLN A 65 1.315 11.127 -5.133 1.00 0.93 H new ATOM 0 HB2 GLN A 65 4.148 11.947 -5.858 1.00 1.03 H new ATOM 0 HB3 GLN A 65 2.758 12.285 -6.870 1.00 1.03 H new ATOM 0 HG2 GLN A 65 3.096 13.248 -4.008 1.00 1.59 H new ATOM 0 HG3 GLN A 65 3.436 14.206 -5.436 1.00 1.59 H new ATOM 0 HE21 GLN A 65 1.696 14.895 -6.810 1.00 2.63 H new ATOM 0 HE22 GLN A 65 0.032 14.916 -6.216 1.00 2.63 H new ATOM 1014 N ILE A 66 1.429 9.462 -6.990 1.00 0.88 N ATOM 1015 CA ILE A 66 1.452 8.428 -8.010 1.00 0.86 C ATOM 1016 C ILE A 66 1.403 9.066 -9.390 1.00 0.98 C ATOM 1017 O ILE A 66 0.370 9.583 -9.817 1.00 1.11 O ATOM 1018 CB ILE A 66 0.289 7.424 -7.854 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.422 6.657 -6.541 1.00 1.02 C ATOM 1020 CG2 ILE A 66 0.250 6.458 -9.034 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.667 5.629 -6.339 1.00 1.13 C ATOM 0 H ILE A 66 0.530 9.932 -6.885 1.00 0.88 H new ATOM 0 HA ILE A 66 2.381 7.870 -7.889 1.00 0.86 H new ATOM 0 HB ILE A 66 -0.647 7.982 -7.837 1.00 0.92 H new ATOM 0 HG12 ILE A 66 1.392 6.160 -6.515 1.00 1.02 H new ATOM 0 HG13 ILE A 66 0.404 7.364 -5.711 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -0.576 5.759 -8.905 1.00 1.28 H new ATOM 0 HG22 ILE A 66 0.110 7.018 -9.958 1.00 1.28 H new ATOM 0 HG23 ILE A 66 1.188 5.905 -9.083 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.514 5.119 -5.388 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -1.638 6.124 -6.334 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -0.635 4.901 -7.150 1.00 1.13 H new ATOM 1033 N ASP A 67 2.530 9.042 -10.074 1.00 1.04 N ATOM 1034 CA ASP A 67 2.641 9.644 -11.391 1.00 1.25 C ATOM 1035 C ASP A 67 2.892 8.554 -12.422 1.00 1.20 C ATOM 1036 O ASP A 67 3.990 8.003 -12.496 1.00 1.13 O ATOM 1037 CB ASP A 67 3.784 10.662 -11.405 1.00 1.45 C ATOM 1038 CG ASP A 67 3.765 11.550 -12.631 1.00 1.82 C ATOM 1039 OD1 ASP A 67 4.312 11.150 -13.677 1.00 2.28 O ATOM 1040 OD2 ASP A 67 3.210 12.668 -12.545 1.00 2.29 O ATOM 0 H ASP A 67 3.390 8.608 -9.737 1.00 1.04 H new ATOM 0 HA ASP A 67 1.713 10.162 -11.635 1.00 1.25 H new ATOM 0 HB2 ASP A 67 3.722 11.283 -10.511 1.00 1.45 H new ATOM 0 HB3 ASP A 67 4.736 10.133 -11.360 1.00 1.45 H new ATOM 1045 N GLY A 68 1.868 8.231 -13.198 1.00 1.28 N ATOM 1046 CA GLY A 68 1.956 7.122 -14.132 1.00 1.30 C ATOM 1047 C GLY A 68 2.097 5.789 -13.425 1.00 1.14 C ATOM 1048 O GLY A 68 1.162 5.320 -12.773 1.00 1.18 O ATOM 0 H GLY A 68 0.972 8.719 -13.199 1.00 1.28 H new ATOM 0 HA2 GLY A 68 1.065 7.106 -14.760 1.00 1.30 H new ATOM 0 HA3 GLY A 68 2.809 7.273 -14.793 1.00 1.30 H new ATOM 1052 N ASN A 69 3.265 5.180 -13.546 1.00 1.03 N ATOM 1053 CA ASN A 69 3.563 3.938 -12.842 1.00 0.94 C ATOM 1054 C ASN A 69 4.663 4.196 -11.824 1.00 0.75 C ATOM 1055 O ASN A 69 5.374 3.286 -11.391 1.00 0.69 O ATOM 1056 CB ASN A 69 3.988 2.831 -13.820 1.00 1.06 C ATOM 1057 CG ASN A 69 5.298 3.129 -14.532 1.00 1.67 C ATOM 1058 OD1 ASN A 69 6.378 2.768 -14.058 1.00 2.35 O ATOM 1059 ND2 ASN A 69 5.213 3.775 -15.683 1.00 2.29 N ATOM 0 H ASN A 69 4.028 5.526 -14.128 1.00 1.03 H new ATOM 0 HA ASN A 69 2.662 3.597 -12.333 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.084 1.892 -13.275 1.00 1.06 H new ATOM 0 HB3 ASN A 69 3.203 2.690 -14.563 1.00 1.06 H new ATOM 0 HD21 ASN A 69 6.059 3.991 -16.210 1.00 2.29 H new ATOM 0 HD22 ASN A 69 4.301 4.058 -16.043 1.00 2.29 H new ATOM 1066 N THR A 70 4.770 5.451 -11.425 1.00 0.74 N ATOM 1067 CA THR A 70 5.850 5.889 -10.570 1.00 0.68 C ATOM 1068 C THR A 70 5.303 6.429 -9.253 1.00 0.63 C ATOM 1069 O THR A 70 4.307 7.148 -9.230 1.00 0.71 O ATOM 1070 CB THR A 70 6.688 6.975 -11.272 1.00 0.85 C ATOM 1071 OG1 THR A 70 7.054 6.527 -12.582 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.944 7.306 -10.477 1.00 0.89 C ATOM 0 H THR A 70 4.114 6.188 -11.684 1.00 0.74 H new ATOM 0 HA THR A 70 6.488 5.030 -10.362 1.00 0.68 H new ATOM 0 HB THR A 70 6.082 7.878 -11.343 1.00 0.85 H new ATOM 0 HG1 THR A 70 7.585 7.219 -13.028 1.00 0.97 H new ATOM 0 HG21 THR A 70 8.513 8.075 -10.999 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.664 7.670 -9.489 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.556 6.410 -10.373 1.00 0.89 H new ATOM 1080 N VAL A 71 5.956 6.067 -8.166 1.00 0.56 N ATOM 1081 CA VAL A 71 5.562 6.521 -6.848 1.00 0.58 C ATOM 1082 C VAL A 71 6.586 7.525 -6.341 1.00 0.57 C ATOM 1083 O VAL A 71 7.758 7.195 -6.178 1.00 0.57 O ATOM 1084 CB VAL A 71 5.450 5.349 -5.849 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.898 5.825 -4.511 1.00 0.68 C ATOM 1086 CG2 VAL A 71 4.590 4.231 -6.423 1.00 0.65 C ATOM 0 H VAL A 71 6.770 5.453 -8.172 1.00 0.56 H new ATOM 0 HA VAL A 71 4.579 6.985 -6.927 1.00 0.58 H new ATOM 0 HB VAL A 71 6.451 4.954 -5.678 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.829 4.981 -3.825 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.562 6.580 -4.091 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.907 6.255 -4.658 1.00 0.68 H new ATOM 0 HG21 VAL A 71 4.525 3.416 -5.702 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.590 4.612 -6.632 1.00 0.65 H new ATOM 0 HG23 VAL A 71 5.039 3.864 -7.346 1.00 0.65 H new ATOM 1096 N THR A 72 6.153 8.749 -6.114 1.00 0.63 N ATOM 1097 CA THR A 72 7.050 9.797 -5.671 1.00 0.66 C ATOM 1098 C THR A 72 6.844 10.071 -4.187 1.00 0.70 C ATOM 1099 O THR A 72 5.781 10.537 -3.773 1.00 0.78 O ATOM 1100 CB THR A 72 6.821 11.098 -6.460 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.804 10.820 -7.869 1.00 0.76 O ATOM 1102 CG2 THR A 72 7.914 12.114 -6.148 1.00 0.80 C ATOM 0 H THR A 72 5.183 9.043 -6.229 1.00 0.63 H new ATOM 0 HA THR A 72 8.070 9.456 -5.847 1.00 0.66 H new ATOM 0 HB THR A 72 5.860 11.518 -6.163 1.00 0.75 H new ATOM 0 HG1 THR A 72 6.656 11.652 -8.365 1.00 0.76 H new ATOM 0 HG21 THR A 72 7.735 13.027 -6.715 1.00 0.80 H new ATOM 0 HG22 THR A 72 7.906 12.342 -5.082 1.00 0.80 H new ATOM 0 HG23 THR A 72 8.884 11.701 -6.423 1.00 0.80 H new ATOM 1110 N VAL A 73 7.855 9.752 -3.396 1.00 0.70 N ATOM 1111 CA VAL A 73 7.810 9.993 -1.969 1.00 0.76 C ATOM 1112 C VAL A 73 8.484 11.321 -1.659 1.00 0.90 C ATOM 1113 O VAL A 73 9.710 11.416 -1.595 1.00 1.01 O ATOM 1114 CB VAL A 73 8.497 8.856 -1.185 1.00 0.79 C ATOM 1115 CG1 VAL A 73 8.338 9.057 0.314 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.938 7.504 -1.605 1.00 0.75 C ATOM 0 H VAL A 73 8.721 9.323 -3.724 1.00 0.70 H new ATOM 0 HA VAL A 73 6.766 10.028 -1.658 1.00 0.76 H new ATOM 0 HB VAL A 73 9.561 8.878 -1.419 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.831 8.242 0.845 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.791 10.005 0.604 1.00 0.89 H new ATOM 0 HG13 VAL A 73 7.278 9.068 0.569 1.00 0.89 H new ATOM 0 HG21 VAL A 73 8.434 6.714 -1.041 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.867 7.475 -1.404 1.00 0.75 H new ATOM 0 HG23 VAL A 73 8.112 7.354 -2.671 1.00 0.75 H new ATOM 1126 N THR A 74 7.675 12.351 -1.505 1.00 0.97 N ATOM 1127 CA THR A 74 8.179 13.692 -1.279 1.00 1.15 C ATOM 1128 C THR A 74 7.788 14.165 0.117 1.00 1.11 C ATOM 1129 O THR A 74 6.743 13.783 0.637 1.00 0.99 O ATOM 1130 CB THR A 74 7.635 14.663 -2.352 1.00 1.38 C ATOM 1131 OG1 THR A 74 8.180 15.975 -2.167 1.00 1.87 O ATOM 1132 CG2 THR A 74 6.114 14.735 -2.317 1.00 1.47 C ATOM 0 H THR A 74 6.658 12.284 -1.533 1.00 0.97 H new ATOM 0 HA THR A 74 9.266 13.677 -1.354 1.00 1.15 H new ATOM 0 HB THR A 74 7.941 14.278 -3.325 1.00 1.38 H new ATOM 0 HG1 THR A 74 7.827 16.576 -2.856 1.00 1.87 H new ATOM 0 HG21 THR A 74 5.765 15.426 -3.084 1.00 1.47 H new ATOM 0 HG22 THR A 74 5.698 13.745 -2.505 1.00 1.47 H new ATOM 0 HG23 THR A 74 5.789 15.085 -1.337 1.00 1.47 H new