USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 618 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 24 THR OG1 : rot 79:sc= 1.16 USER MOD Set 1.2: A 26 THR OG1 : rot 171:sc= 1.01 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 ASN : amide:sc= 0.267 K(o=0.42,f=-1.8!) USER MOD Set 3.2: A 30 TYR OH : rot -178:sc= 0.158 USER MOD Single : A 1 SER N :NH3+ 154:sc= 1.25 (180deg=1.05) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -73:sc= 0.874 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.193 F(o=-1.8!,f=-0.19) USER MOD Single : A 13 MET CE :methyl 152:sc= -0.472 (180deg=-0.779) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc=-0.000355 (180deg=-0.117) USER MOD Single : A 23 GLN : amide:sc= -2.63! C(o=-2.6!,f=-9.6!) USER MOD Single : A 27 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 96:sc= 0.534 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0134 (180deg=-0.17) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.99 K(o=-2,f=-3.6!) USER MOD Single : A 51 SER OG : rot 141:sc= 1.24 USER MOD Single : A 52 SER OG : rot 84:sc= 0.204 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 64 TYR OH : rot 50:sc= -1.38 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.418 F(o=-1.9,f=-0.42) USER MOD Single : A 69 ASN : amide:sc= 0.0954 K(o=0.095,f=-4.2!) 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 20:sc= 0.962 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 172:sc=-0.00415 (180deg=-0.0786) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.972 -7.434 -5.310 1.00 2.75 N ATOM 2 CA SER A 1 -9.866 -8.020 -6.660 1.00 2.38 C ATOM 3 C SER A 1 -8.444 -7.847 -7.183 1.00 1.65 C ATOM 4 O SER A 1 -7.991 -6.721 -7.392 1.00 1.91 O ATOM 5 CB SER A 1 -10.868 -7.355 -7.607 1.00 2.96 C ATOM 6 OG SER A 1 -11.008 -8.089 -8.813 1.00 3.75 O ATOM 0 H1 SER A 1 -10.956 -7.149 -5.132 1.00 2.75 H new ATOM 0 H2 SER A 1 -9.682 -8.138 -4.602 1.00 2.75 H new ATOM 0 H3 SER A 1 -9.353 -6.601 -5.244 1.00 2.75 H new ATOM 0 HA SER A 1 -10.098 -9.084 -6.607 1.00 2.38 H new ATOM 0 HB2 SER A 1 -11.837 -7.274 -7.115 1.00 2.96 H new ATOM 0 HB3 SER A 1 -10.539 -6.341 -7.833 1.00 2.96 H new ATOM 0 HG SER A 1 -11.655 -7.640 -9.396 1.00 3.75 H new ATOM 14 N GLN A 2 -7.750 -8.970 -7.371 1.00 1.37 N ATOM 15 CA GLN A 2 -6.359 -8.972 -7.833 1.00 0.95 C ATOM 16 C GLN A 2 -5.464 -8.155 -6.903 1.00 0.75 C ATOM 17 O GLN A 2 -5.063 -7.033 -7.220 1.00 0.86 O ATOM 18 CB GLN A 2 -6.255 -8.462 -9.272 1.00 1.47 C ATOM 19 CG GLN A 2 -7.020 -9.312 -10.273 1.00 2.07 C ATOM 20 CD GLN A 2 -6.728 -8.929 -11.710 1.00 2.71 C ATOM 21 OE1 GLN A 2 -7.397 -8.074 -12.291 1.00 3.23 O ATOM 22 NE2 GLN A 2 -5.725 -9.564 -12.295 1.00 3.34 N ATOM 0 H GLN A 2 -8.133 -9.901 -7.208 1.00 1.37 H new ATOM 0 HA GLN A 2 -6.009 -10.004 -7.814 1.00 0.95 H new ATOM 0 HB2 GLN A 2 -6.630 -7.439 -9.315 1.00 1.47 H new ATOM 0 HB3 GLN A 2 -5.205 -8.429 -9.563 1.00 1.47 H new ATOM 0 HG2 GLN A 2 -6.765 -10.361 -10.122 1.00 2.07 H new ATOM 0 HG3 GLN A 2 -8.089 -9.213 -10.085 1.00 2.07 H new ATOM 0 HE21 GLN A 2 -5.195 -10.266 -11.778 1.00 3.34 H new ATOM 0 HE22 GLN A 2 -5.482 -9.351 -13.262 1.00 3.34 H new ATOM 31 N GLU A 3 -5.145 -8.746 -5.763 1.00 0.57 N ATOM 32 CA GLU A 3 -4.325 -8.093 -4.754 1.00 0.47 C ATOM 33 C GLU A 3 -2.932 -8.694 -4.766 1.00 0.42 C ATOM 34 O GLU A 3 -2.651 -9.632 -5.519 1.00 0.50 O ATOM 35 CB GLU A 3 -4.926 -8.266 -3.353 1.00 0.58 C ATOM 36 CG GLU A 3 -6.393 -7.880 -3.238 1.00 0.70 C ATOM 37 CD GLU A 3 -7.339 -9.003 -3.624 1.00 1.26 C ATOM 38 OE1 GLU A 3 -6.851 -10.084 -4.010 1.00 1.35 O ATOM 39 OE2 GLU A 3 -8.571 -8.814 -3.558 1.00 1.99 O ATOM 0 H GLU A 3 -5.445 -9.688 -5.511 1.00 0.57 H new ATOM 0 HA GLU A 3 -4.284 -7.029 -4.989 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -4.814 -9.307 -3.050 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.350 -7.665 -2.649 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.602 -7.574 -2.213 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -6.586 -7.016 -3.874 1.00 0.70 H new ATOM 46 N TRP A 4 -2.067 -8.159 -3.931 1.00 0.36 N ATOM 47 CA TRP A 4 -0.732 -8.696 -3.759 1.00 0.38 C ATOM 48 C TRP A 4 -0.470 -8.889 -2.280 1.00 0.34 C ATOM 49 O TRP A 4 -1.077 -8.214 -1.447 1.00 0.34 O ATOM 50 CB TRP A 4 0.316 -7.745 -4.349 1.00 0.45 C ATOM 51 CG TRP A 4 0.202 -7.565 -5.830 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.718 -8.380 -6.793 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.456 -6.493 -6.517 1.00 0.51 C ATOM 54 NE1 TRP A 4 0.413 -7.890 -8.039 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.304 -6.728 -7.896 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.157 -5.357 -6.098 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -0.834 -5.874 -8.860 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.680 -4.508 -7.056 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.515 -4.769 -8.421 1.00 0.65 C ATOM 0 H TRP A 4 -2.267 -7.342 -3.354 1.00 0.36 H new ATOM 0 HA TRP A 4 -0.661 -9.650 -4.282 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.223 -6.772 -3.866 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.311 -8.124 -4.114 1.00 0.45 H new ATOM 0 HD1 TRP A 4 1.284 -9.280 -6.604 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.676 -8.319 -8.926 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.287 -5.147 -5.047 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -0.713 -6.075 -9.914 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.225 -3.629 -6.746 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -1.934 -4.085 -9.144 1.00 0.65 H new ATOM 70 N THR A 5 0.419 -9.804 -1.945 1.00 0.37 N ATOM 71 CA THR A 5 0.822 -9.947 -0.568 1.00 0.39 C ATOM 72 C THR A 5 1.989 -9.003 -0.318 1.00 0.35 C ATOM 73 O THR A 5 3.148 -9.286 -0.635 1.00 0.44 O ATOM 74 CB THR A 5 1.176 -11.416 -0.205 1.00 0.55 C ATOM 75 OG1 THR A 5 1.608 -11.507 1.160 1.00 1.13 O ATOM 76 CG2 THR A 5 2.243 -11.992 -1.125 1.00 1.11 C ATOM 0 H THR A 5 0.867 -10.447 -2.598 1.00 0.37 H new ATOM 0 HA THR A 5 -0.012 -9.684 0.082 1.00 0.39 H new ATOM 0 HB THR A 5 0.269 -12.006 -0.338 1.00 0.55 H new ATOM 0 HG1 THR A 5 2.505 -11.122 1.245 1.00 1.13 H new ATOM 0 HG21 THR A 5 2.458 -13.020 -0.834 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.884 -11.974 -2.154 1.00 1.11 H new ATOM 0 HG23 THR A 5 3.152 -11.395 -1.047 1.00 1.11 H new ATOM 84 N LEU A 6 1.650 -7.854 0.228 1.00 0.30 N ATOM 85 CA LEU A 6 2.601 -6.787 0.411 1.00 0.34 C ATOM 86 C LEU A 6 3.172 -6.847 1.809 1.00 0.42 C ATOM 87 O LEU A 6 2.581 -6.344 2.761 1.00 0.75 O ATOM 88 CB LEU A 6 1.944 -5.433 0.133 1.00 0.42 C ATOM 89 CG LEU A 6 1.413 -5.263 -1.295 1.00 0.47 C ATOM 90 CD1 LEU A 6 0.813 -3.883 -1.485 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.519 -5.504 -2.312 1.00 0.53 C ATOM 0 H LEU A 6 0.709 -7.637 0.556 1.00 0.30 H new ATOM 0 HA LEU A 6 3.420 -6.907 -0.298 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.120 -5.294 0.832 1.00 0.42 H new ATOM 0 HB3 LEU A 6 2.669 -4.644 0.333 1.00 0.42 H new ATOM 0 HG LEU A 6 0.629 -6.004 -1.454 1.00 0.47 H new ATOM 0 HD11 LEU A 6 0.443 -3.785 -2.505 1.00 0.66 H new ATOM 0 HD12 LEU A 6 -0.011 -3.745 -0.785 1.00 0.66 H new ATOM 0 HD13 LEU A 6 1.576 -3.126 -1.301 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.121 -5.378 -3.319 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.325 -4.789 -2.149 1.00 0.53 H new ATOM 0 HD23 LEU A 6 2.904 -6.517 -2.198 1.00 0.53 H new ATOM 103 N ASP A 7 4.308 -7.502 1.914 1.00 0.38 N ATOM 104 CA ASP A 7 4.985 -7.686 3.182 1.00 0.44 C ATOM 105 C ASP A 7 6.117 -6.689 3.275 1.00 0.39 C ATOM 106 O ASP A 7 7.198 -6.892 2.720 1.00 0.46 O ATOM 107 CB ASP A 7 5.498 -9.120 3.331 1.00 0.58 C ATOM 108 CG ASP A 7 4.372 -10.121 3.522 1.00 1.30 C ATOM 109 OD1 ASP A 7 3.770 -10.548 2.514 1.00 2.12 O ATOM 110 OD2 ASP A 7 4.089 -10.487 4.684 1.00 1.67 O ATOM 0 H ASP A 7 4.791 -7.924 1.121 1.00 0.38 H new ATOM 0 HA ASP A 7 4.282 -7.515 3.997 1.00 0.44 H new ATOM 0 HB2 ASP A 7 6.075 -9.390 2.446 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.176 -9.174 4.182 1.00 0.58 H new ATOM 115 N ILE A 8 5.848 -5.599 3.955 1.00 0.35 N ATOM 116 CA ILE A 8 6.738 -4.464 3.956 1.00 0.32 C ATOM 117 C ILE A 8 7.420 -4.291 5.308 1.00 0.30 C ATOM 118 O ILE A 8 6.762 -4.230 6.352 1.00 0.35 O ATOM 119 CB ILE A 8 5.949 -3.213 3.542 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.482 -3.408 2.097 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.785 -1.949 3.685 1.00 0.44 C ATOM 122 CD1 ILE A 8 4.464 -2.404 1.621 1.00 0.91 C ATOM 0 H ILE A 8 5.009 -5.475 4.521 1.00 0.35 H new ATOM 0 HA ILE A 8 7.538 -4.629 3.234 1.00 0.32 H new ATOM 0 HB ILE A 8 5.089 -3.087 4.200 1.00 0.37 H new ATOM 0 HG12 ILE A 8 6.351 -3.363 1.440 1.00 0.52 H new ATOM 0 HG13 ILE A 8 5.059 -4.408 1.998 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.193 -1.085 3.383 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.093 -1.832 4.724 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.668 -2.023 3.051 1.00 0.44 H new ATOM 0 HD11 ILE A 8 4.194 -2.622 0.588 1.00 0.91 H new ATOM 0 HD12 ILE A 8 3.575 -2.462 2.249 1.00 0.91 H new ATOM 0 HD13 ILE A 8 4.886 -1.401 1.682 1.00 0.91 H new ATOM 134 N PRO A 9 8.762 -4.251 5.280 1.00 0.26 N ATOM 135 CA PRO A 9 9.609 -4.194 6.479 1.00 0.26 C ATOM 136 C PRO A 9 9.333 -2.999 7.384 1.00 0.27 C ATOM 137 O PRO A 9 8.804 -1.970 6.956 1.00 0.32 O ATOM 138 CB PRO A 9 11.031 -4.099 5.913 1.00 0.29 C ATOM 139 CG PRO A 9 10.935 -4.658 4.539 1.00 0.35 C ATOM 140 CD PRO A 9 9.571 -4.278 4.046 1.00 0.29 C ATOM 0 HA PRO A 9 9.427 -5.061 7.114 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.381 -3.067 5.896 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.737 -4.665 6.521 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.713 -4.250 3.894 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.062 -5.741 4.546 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.578 -3.308 3.548 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.186 -5.002 3.328 1.00 0.29 H new ATOM 148 N ALA A 10 9.737 -3.146 8.636 1.00 0.30 N ATOM 149 CA ALA A 10 9.593 -2.100 9.637 1.00 0.33 C ATOM 150 C ALA A 10 10.952 -1.493 9.932 1.00 0.35 C ATOM 151 O ALA A 10 11.228 -1.022 11.035 1.00 0.43 O ATOM 152 CB ALA A 10 8.957 -2.657 10.904 1.00 0.41 C ATOM 0 H ALA A 10 10.176 -3.997 8.988 1.00 0.30 H new ATOM 0 HA ALA A 10 8.936 -1.320 9.252 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.857 -1.861 11.641 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.972 -3.060 10.670 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.586 -3.450 11.309 1.00 0.41 H new ATOM 158 N GLN A 11 11.801 -1.536 8.921 1.00 0.34 N ATOM 159 CA GLN A 11 13.146 -1.003 9.009 1.00 0.40 C ATOM 160 C GLN A 11 13.180 0.379 8.376 1.00 0.35 C ATOM 161 O GLN A 11 12.132 1.003 8.201 1.00 0.37 O ATOM 162 CB GLN A 11 14.115 -1.935 8.285 1.00 0.53 C ATOM 163 CG GLN A 11 14.186 -3.328 8.887 1.00 0.96 C ATOM 164 CD GLN A 11 14.803 -4.342 7.943 1.00 0.90 C ATOM 165 OE1 GLN A 11 14.578 -4.163 6.653 1.00 1.61 O flip ATOM 166 NE2 GLN A 11 15.465 -5.289 8.372 1.00 0.90 N flip ATOM 0 H GLN A 11 11.575 -1.943 8.013 1.00 0.34 H new ATOM 0 HA GLN A 11 13.444 -0.927 10.055 1.00 0.40 H new ATOM 0 HB2 GLN A 11 13.816 -2.015 7.240 1.00 0.53 H new ATOM 0 HB3 GLN A 11 15.111 -1.492 8.299 1.00 0.53 H new ATOM 0 HG2 GLN A 11 14.769 -3.292 9.807 1.00 0.96 H new ATOM 0 HG3 GLN A 11 13.182 -3.654 9.158 1.00 0.96 H new ATOM 0 HE21 GLN A 11 15.616 -5.392 9.375 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.862 -5.969 7.724 1.00 0.90 H new ATOM 175 N SER A 12 14.367 0.854 8.035 1.00 0.38 N ATOM 176 CA SER A 12 14.499 2.117 7.330 1.00 0.40 C ATOM 177 C SER A 12 13.668 2.091 6.046 1.00 0.36 C ATOM 178 O SER A 12 13.625 1.081 5.334 1.00 0.34 O ATOM 179 CB SER A 12 15.973 2.388 7.020 1.00 0.50 C ATOM 180 OG SER A 12 16.580 1.274 6.385 1.00 1.30 O ATOM 0 H SER A 12 15.250 0.385 8.235 1.00 0.38 H new ATOM 0 HA SER A 12 14.125 2.923 7.962 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.056 3.265 6.378 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.505 2.617 7.943 1.00 0.50 H new ATOM 0 HG SER A 12 17.520 1.477 6.198 1.00 1.30 H new ATOM 186 N MET A 13 12.981 3.204 5.788 1.00 0.42 N ATOM 187 CA MET A 13 12.103 3.350 4.626 1.00 0.46 C ATOM 188 C MET A 13 12.787 2.966 3.323 1.00 0.42 C ATOM 189 O MET A 13 12.119 2.595 2.363 1.00 0.45 O ATOM 190 CB MET A 13 11.576 4.782 4.542 1.00 0.61 C ATOM 191 CG MET A 13 10.399 5.036 5.460 1.00 0.68 C ATOM 192 SD MET A 13 10.099 6.788 5.749 1.00 1.29 S ATOM 193 CE MET A 13 8.809 6.696 6.990 1.00 1.00 C ATOM 0 H MET A 13 13.018 4.033 6.381 1.00 0.42 H new ATOM 0 HA MET A 13 11.271 2.660 4.765 1.00 0.46 H new ATOM 0 HB2 MET A 13 12.380 5.474 4.792 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.280 4.994 3.515 1.00 0.61 H new ATOM 0 HG2 MET A 13 9.505 4.586 5.029 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.576 4.541 6.415 1.00 0.68 H new ATOM 0 HE1 MET A 13 8.848 7.583 7.622 1.00 1.00 H new ATOM 0 HE2 MET A 13 7.837 6.642 6.501 1.00 1.00 H new ATOM 0 HE3 MET A 13 8.957 5.807 7.603 1.00 1.00 H new ATOM 203 N ASN A 14 14.111 3.063 3.288 1.00 0.41 N ATOM 204 CA ASN A 14 14.878 2.637 2.123 1.00 0.45 C ATOM 205 C ASN A 14 14.562 1.183 1.777 1.00 0.41 C ATOM 206 O ASN A 14 14.350 0.848 0.614 1.00 0.47 O ATOM 207 CB ASN A 14 16.378 2.791 2.374 1.00 0.52 C ATOM 208 CG ASN A 14 17.211 2.407 1.164 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.808 2.617 0.023 1.00 2.26 O ATOM 210 ND2 ASN A 14 18.372 1.822 1.409 1.00 1.85 N ATOM 0 H ASN A 14 14.676 3.433 4.053 1.00 0.41 H new ATOM 0 HA ASN A 14 14.595 3.273 1.284 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.594 3.824 2.647 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.667 2.170 3.222 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.968 1.528 0.635 1.00 1.85 H new ATOM 0 HD22 ASN A 14 18.671 1.665 2.372 1.00 1.85 H new ATOM 217 N SER A 15 14.492 0.332 2.797 1.00 0.36 N ATOM 218 CA SER A 15 14.239 -1.086 2.592 1.00 0.36 C ATOM 219 C SER A 15 12.765 -1.320 2.291 1.00 0.32 C ATOM 220 O SER A 15 12.414 -2.069 1.383 1.00 0.32 O ATOM 221 CB SER A 15 14.635 -1.873 3.845 1.00 0.38 C ATOM 222 OG SER A 15 15.887 -1.432 4.344 1.00 1.20 O ATOM 0 H SER A 15 14.607 0.603 3.774 1.00 0.36 H new ATOM 0 HA SER A 15 14.835 -1.428 1.745 1.00 0.36 H new ATOM 0 HB2 SER A 15 13.870 -1.752 4.612 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.686 -2.936 3.611 1.00 0.38 H new ATOM 0 HG SER A 15 16.120 -1.947 5.145 1.00 1.20 H new ATOM 228 N ALA A 16 11.909 -0.661 3.066 1.00 0.31 N ATOM 229 CA ALA A 16 10.466 -0.829 2.949 1.00 0.32 C ATOM 230 C ALA A 16 9.956 -0.417 1.576 1.00 0.30 C ATOM 231 O ALA A 16 9.241 -1.171 0.918 1.00 0.29 O ATOM 232 CB ALA A 16 9.762 -0.026 4.026 1.00 0.38 C ATOM 0 H ALA A 16 12.194 0.000 3.788 1.00 0.31 H new ATOM 0 HA ALA A 16 10.245 -1.889 3.079 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.684 -0.157 3.931 1.00 0.38 H new ATOM 0 HB2 ALA A 16 10.085 -0.372 5.008 1.00 0.38 H new ATOM 0 HB3 ALA A 16 10.010 1.029 3.914 1.00 0.38 H new ATOM 238 N LEU A 17 10.335 0.776 1.144 1.00 0.31 N ATOM 239 CA LEU A 17 9.869 1.307 -0.128 1.00 0.33 C ATOM 240 C LEU A 17 10.441 0.499 -1.293 1.00 0.32 C ATOM 241 O LEU A 17 9.747 0.228 -2.271 1.00 0.35 O ATOM 242 CB LEU A 17 10.245 2.786 -0.248 1.00 0.38 C ATOM 243 CG LEU A 17 9.664 3.691 0.841 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.168 5.112 0.675 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.144 3.659 0.809 1.00 0.73 C ATOM 0 H LEU A 17 10.964 1.395 1.655 1.00 0.31 H new ATOM 0 HA LEU A 17 8.783 1.223 -0.167 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.331 2.872 -0.229 1.00 0.38 H new ATOM 0 HB3 LEU A 17 9.913 3.152 -1.219 1.00 0.38 H new ATOM 0 HG LEU A 17 9.995 3.318 1.810 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.745 5.742 1.458 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.255 5.123 0.748 1.00 0.92 H new ATOM 0 HD13 LEU A 17 9.866 5.493 -0.300 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.750 4.309 1.591 1.00 0.73 H new ATOM 0 HD22 LEU A 17 7.793 4.006 -0.163 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.798 2.639 0.976 1.00 0.73 H new ATOM 257 N GLN A 18 11.705 0.102 -1.170 1.00 0.34 N ATOM 258 CA GLN A 18 12.358 -0.716 -2.188 1.00 0.39 C ATOM 259 C GLN A 18 11.700 -2.093 -2.280 1.00 0.33 C ATOM 260 O GLN A 18 11.592 -2.674 -3.361 1.00 0.34 O ATOM 261 CB GLN A 18 13.845 -0.856 -1.861 1.00 0.49 C ATOM 262 CG GLN A 18 14.691 -1.365 -3.015 1.00 1.07 C ATOM 263 CD GLN A 18 16.157 -1.453 -2.650 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.635 -2.489 -2.194 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.876 -0.358 -2.828 1.00 2.19 N ATOM 0 H GLN A 18 12.298 0.334 -0.374 1.00 0.34 H new ATOM 0 HA GLN A 18 12.250 -0.225 -3.155 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.229 0.114 -1.544 1.00 0.49 H new ATOM 0 HB3 GLN A 18 13.957 -1.535 -1.016 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.334 -2.349 -3.319 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.570 -0.703 -3.872 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.440 0.482 -3.210 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.866 -0.353 -2.584 1.00 2.19 H new ATOM 274 N ALA A 19 11.242 -2.601 -1.139 1.00 0.29 N ATOM 275 CA ALA A 19 10.573 -3.893 -1.096 1.00 0.28 C ATOM 276 C ALA A 19 9.244 -3.824 -1.834 1.00 0.26 C ATOM 277 O ALA A 19 8.875 -4.749 -2.557 1.00 0.28 O ATOM 278 CB ALA A 19 10.363 -4.342 0.343 1.00 0.31 C ATOM 0 H ALA A 19 11.323 -2.137 -0.234 1.00 0.29 H new ATOM 0 HA ALA A 19 11.208 -4.627 -1.592 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.862 -5.310 0.353 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.328 -4.429 0.842 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.748 -3.610 0.867 1.00 0.31 H new ATOM 284 N LEU A 20 8.550 -2.699 -1.675 1.00 0.27 N ATOM 285 CA LEU A 20 7.267 -2.488 -2.329 1.00 0.32 C ATOM 286 C LEU A 20 7.462 -2.434 -3.840 1.00 0.33 C ATOM 287 O LEU A 20 6.635 -2.922 -4.604 1.00 0.36 O ATOM 288 CB LEU A 20 6.623 -1.189 -1.832 1.00 0.38 C ATOM 289 CG LEU A 20 5.270 -0.841 -2.462 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.235 -1.911 -2.151 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.799 0.520 -1.972 1.00 0.95 C ATOM 0 H LEU A 20 8.859 -1.918 -1.096 1.00 0.27 H new ATOM 0 HA LEU A 20 6.604 -3.318 -2.084 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.494 -1.258 -0.752 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.314 -0.367 -2.019 1.00 0.38 H new ATOM 0 HG LEU A 20 5.394 -0.799 -3.544 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.284 -1.641 -2.609 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.571 -2.869 -2.549 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.108 -1.992 -1.071 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.837 0.757 -2.426 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.693 0.500 -0.887 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.529 1.280 -2.251 1.00 0.95 H new ATOM 303 N ALA A 21 8.600 -1.876 -4.250 1.00 0.33 N ATOM 304 CA ALA A 21 8.914 -1.714 -5.661 1.00 0.39 C ATOM 305 C ALA A 21 8.969 -3.072 -6.348 1.00 0.38 C ATOM 306 O ALA A 21 8.428 -3.254 -7.434 1.00 0.44 O ATOM 307 CB ALA A 21 10.231 -0.974 -5.834 1.00 0.44 C ATOM 0 H ALA A 21 9.321 -1.528 -3.618 1.00 0.33 H new ATOM 0 HA ALA A 21 8.126 -1.121 -6.126 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.449 -0.862 -6.896 1.00 0.44 H new ATOM 0 HB2 ALA A 21 10.158 0.011 -5.373 1.00 0.44 H new ATOM 0 HB3 ALA A 21 11.031 -1.539 -5.357 1.00 0.44 H new ATOM 313 N LYS A 22 9.635 -4.018 -5.702 1.00 0.36 N ATOM 314 CA LYS A 22 9.721 -5.379 -6.205 1.00 0.42 C ATOM 315 C LYS A 22 8.342 -6.040 -6.229 1.00 0.37 C ATOM 316 O LYS A 22 7.942 -6.630 -7.233 1.00 0.47 O ATOM 317 CB LYS A 22 10.667 -6.204 -5.328 1.00 0.53 C ATOM 318 CG LYS A 22 10.914 -7.611 -5.849 1.00 1.22 C ATOM 319 CD LYS A 22 11.649 -8.466 -4.830 1.00 1.84 C ATOM 320 CE LYS A 22 10.773 -8.790 -3.626 1.00 2.65 C ATOM 321 NZ LYS A 22 9.650 -9.705 -3.977 1.00 3.41 N ATOM 0 H LYS A 22 10.127 -3.865 -4.822 1.00 0.36 H new ATOM 0 HA LYS A 22 10.108 -5.340 -7.223 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.621 -5.683 -5.249 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.253 -6.266 -4.322 1.00 0.53 H new ATOM 0 HG2 LYS A 22 9.962 -8.079 -6.098 1.00 1.22 H new ATOM 0 HG3 LYS A 22 11.495 -7.561 -6.770 1.00 1.22 H new ATOM 0 HD2 LYS A 22 11.976 -9.393 -5.301 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.546 -7.944 -4.497 1.00 1.84 H new ATOM 0 HE2 LYS A 22 11.383 -9.248 -2.848 1.00 2.65 H new ATOM 0 HE3 LYS A 22 10.370 -7.865 -3.212 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 9.216 -10.072 -3.106 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 8.937 -9.184 -4.526 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 10.012 -10.498 -4.544 1.00 3.41 H new ATOM 335 N GLN A 23 7.620 -5.910 -5.122 1.00 0.33 N ATOM 336 CA GLN A 23 6.364 -6.629 -4.917 1.00 0.39 C ATOM 337 C GLN A 23 5.273 -6.200 -5.903 1.00 0.40 C ATOM 338 O GLN A 23 4.498 -7.033 -6.372 1.00 0.49 O ATOM 339 CB GLN A 23 5.892 -6.444 -3.476 1.00 0.52 C ATOM 340 CG GLN A 23 6.845 -7.051 -2.459 1.00 0.76 C ATOM 341 CD GLN A 23 6.434 -6.777 -1.028 1.00 0.78 C ATOM 342 OE1 GLN A 23 5.257 -6.634 -0.732 1.00 1.52 O ATOM 343 NE2 GLN A 23 7.403 -6.713 -0.130 1.00 1.29 N ATOM 0 H GLN A 23 7.885 -5.307 -4.344 1.00 0.33 H new ATOM 0 HA GLN A 23 6.556 -7.685 -5.106 1.00 0.39 H new ATOM 0 HB2 GLN A 23 5.778 -5.380 -3.270 1.00 0.52 H new ATOM 0 HB3 GLN A 23 4.908 -6.898 -3.360 1.00 0.52 H new ATOM 0 HG2 GLN A 23 6.898 -8.128 -2.616 1.00 0.76 H new ATOM 0 HG3 GLN A 23 7.847 -6.655 -2.626 1.00 0.76 H new ATOM 0 HE21 GLN A 23 8.374 -6.838 -0.417 1.00 1.29 H new ATOM 0 HE22 GLN A 23 7.180 -6.539 0.850 1.00 1.29 H new ATOM 352 N THR A 24 5.215 -4.920 -6.235 1.00 0.38 N ATOM 353 CA THR A 24 4.218 -4.440 -7.184 1.00 0.47 C ATOM 354 C THR A 24 4.862 -4.015 -8.498 1.00 0.48 C ATOM 355 O THR A 24 4.246 -3.305 -9.293 1.00 0.76 O ATOM 356 CB THR A 24 3.395 -3.270 -6.602 1.00 0.54 C ATOM 357 OG1 THR A 24 4.254 -2.354 -5.913 1.00 0.62 O ATOM 358 CG2 THR A 24 2.322 -3.783 -5.652 1.00 0.62 C ATOM 0 H THR A 24 5.838 -4.201 -5.868 1.00 0.38 H new ATOM 0 HA THR A 24 3.542 -5.273 -7.379 1.00 0.47 H new ATOM 0 HB THR A 24 2.909 -2.753 -7.429 1.00 0.54 H new ATOM 0 HG1 THR A 24 4.711 -1.782 -6.564 1.00 0.62 H new ATOM 0 HG21 THR A 24 1.755 -2.941 -5.255 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.650 -4.452 -6.190 1.00 0.62 H new ATOM 0 HG23 THR A 24 2.792 -4.324 -4.831 1.00 0.62 H new ATOM 366 N ASP A 25 6.102 -4.484 -8.711 1.00 0.41 N ATOM 367 CA ASP A 25 6.910 -4.172 -9.904 1.00 0.49 C ATOM 368 C ASP A 25 6.787 -2.706 -10.321 1.00 0.49 C ATOM 369 O ASP A 25 6.803 -2.371 -11.507 1.00 0.72 O ATOM 370 CB ASP A 25 6.593 -5.119 -11.081 1.00 0.68 C ATOM 371 CG ASP A 25 5.148 -5.086 -11.551 1.00 1.29 C ATOM 372 OD1 ASP A 25 4.821 -4.277 -12.447 1.00 1.57 O ATOM 373 OD2 ASP A 25 4.340 -5.902 -11.055 1.00 2.11 O ATOM 0 H ASP A 25 6.579 -5.099 -8.052 1.00 0.41 H new ATOM 0 HA ASP A 25 7.950 -4.339 -9.622 1.00 0.49 H new ATOM 0 HB2 ASP A 25 7.240 -4.863 -11.920 1.00 0.68 H new ATOM 0 HB3 ASP A 25 6.842 -6.139 -10.787 1.00 0.68 H new ATOM 378 N THR A 26 6.714 -1.832 -9.329 1.00 0.34 N ATOM 379 CA THR A 26 6.528 -0.412 -9.557 1.00 0.40 C ATOM 380 C THR A 26 7.849 0.343 -9.452 1.00 0.38 C ATOM 381 O THR A 26 8.852 -0.198 -8.990 1.00 0.40 O ATOM 382 CB THR A 26 5.528 0.170 -8.539 1.00 0.46 C ATOM 383 OG1 THR A 26 5.712 -0.461 -7.262 1.00 0.76 O ATOM 384 CG2 THR A 26 4.094 -0.022 -9.004 1.00 0.72 C ATOM 0 H THR A 26 6.782 -2.090 -8.344 1.00 0.34 H new ATOM 0 HA THR A 26 6.135 -0.291 -10.566 1.00 0.40 H new ATOM 0 HB THR A 26 5.717 1.240 -8.451 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.180 0.008 -6.586 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.412 0.399 -8.265 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.950 0.483 -9.959 1.00 0.72 H new ATOM 0 HG23 THR A 26 3.889 -1.086 -9.122 1.00 0.72 H new ATOM 392 N GLN A 27 7.837 1.589 -9.896 1.00 0.41 N ATOM 393 CA GLN A 27 8.997 2.459 -9.799 1.00 0.44 C ATOM 394 C GLN A 27 8.774 3.505 -8.720 1.00 0.46 C ATOM 395 O GLN A 27 7.840 4.303 -8.805 1.00 0.47 O ATOM 396 CB GLN A 27 9.270 3.130 -11.146 1.00 0.50 C ATOM 397 CG GLN A 27 10.371 2.452 -11.940 1.00 1.05 C ATOM 398 CD GLN A 27 11.735 2.669 -11.317 1.00 1.67 C ATOM 399 OE1 GLN A 27 11.991 3.704 -10.699 1.00 2.39 O ATOM 400 NE2 GLN A 27 12.618 1.698 -11.465 1.00 2.31 N ATOM 0 H GLN A 27 7.025 2.025 -10.333 1.00 0.41 H new ATOM 0 HA GLN A 27 9.867 1.859 -9.530 1.00 0.44 H new ATOM 0 HB2 GLN A 27 8.354 3.131 -11.736 1.00 0.50 H new ATOM 0 HB3 GLN A 27 9.542 4.172 -10.977 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.167 1.383 -12.003 1.00 1.05 H new ATOM 0 HG3 GLN A 27 10.373 2.837 -12.960 1.00 1.05 H new ATOM 0 HE21 GLN A 27 12.368 0.856 -11.984 1.00 2.31 H new ATOM 0 HE22 GLN A 27 13.550 1.790 -11.061 1.00 2.31 H new ATOM 409 N LEU A 28 9.621 3.496 -7.704 1.00 0.51 N ATOM 410 CA LEU A 28 9.469 4.415 -6.588 1.00 0.55 C ATOM 411 C LEU A 28 10.640 5.381 -6.524 1.00 0.58 C ATOM 412 O LEU A 28 11.801 4.982 -6.608 1.00 0.71 O ATOM 413 CB LEU A 28 9.336 3.669 -5.252 1.00 0.69 C ATOM 414 CG LEU A 28 7.957 3.064 -4.963 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.704 1.830 -5.813 1.00 1.51 C ATOM 416 CD2 LEU A 28 7.831 2.729 -3.487 1.00 1.30 C ATOM 0 H LEU A 28 10.419 2.865 -7.629 1.00 0.51 H new ATOM 0 HA LEU A 28 8.550 4.977 -6.756 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.076 2.869 -5.229 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.586 4.358 -4.446 1.00 0.69 H new ATOM 0 HG LEU A 28 7.202 3.806 -5.223 1.00 0.78 H new ATOM 0 HD11 LEU A 28 6.718 1.426 -5.583 1.00 1.51 H new ATOM 0 HD12 LEU A 28 7.749 2.100 -6.868 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.463 1.078 -5.598 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.848 2.300 -3.294 1.00 1.30 H new ATOM 0 HD22 LEU A 28 8.601 2.009 -3.210 1.00 1.30 H new ATOM 0 HD23 LEU A 28 7.953 3.637 -2.896 1.00 1.30 H new ATOM 428 N LEU A 29 10.321 6.653 -6.387 1.00 0.53 N ATOM 429 CA LEU A 29 11.328 7.689 -6.258 1.00 0.60 C ATOM 430 C LEU A 29 11.351 8.200 -4.827 1.00 0.63 C ATOM 431 O LEU A 29 10.358 8.739 -4.332 1.00 0.66 O ATOM 432 CB LEU A 29 11.054 8.848 -7.228 1.00 0.65 C ATOM 433 CG LEU A 29 11.394 8.588 -8.703 1.00 1.17 C ATOM 434 CD1 LEU A 29 12.826 8.096 -8.844 1.00 1.90 C ATOM 435 CD2 LEU A 29 10.421 7.600 -9.330 1.00 2.03 C ATOM 0 H LEU A 29 9.361 6.997 -6.362 1.00 0.53 H new ATOM 0 HA LEU A 29 12.299 7.262 -6.509 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.998 9.110 -7.160 1.00 0.65 H new ATOM 0 HB3 LEU A 29 11.620 9.717 -6.893 1.00 0.65 H new ATOM 0 HG LEU A 29 11.299 9.533 -9.239 1.00 1.17 H new ATOM 0 HD11 LEU A 29 13.047 7.918 -9.896 1.00 1.90 H new ATOM 0 HD12 LEU A 29 13.510 8.849 -8.452 1.00 1.90 H new ATOM 0 HD13 LEU A 29 12.949 7.168 -8.285 1.00 1.90 H new ATOM 0 HD21 LEU A 29 10.689 7.438 -10.374 1.00 2.03 H new ATOM 0 HD22 LEU A 29 10.467 6.653 -8.792 1.00 2.03 H new ATOM 0 HD23 LEU A 29 9.409 8.001 -9.274 1.00 2.03 H new ATOM 447 N TYR A 30 12.476 8.003 -4.160 1.00 0.65 N ATOM 448 CA TYR A 30 12.633 8.420 -2.778 1.00 0.72 C ATOM 449 C TYR A 30 14.097 8.710 -2.489 1.00 0.77 C ATOM 450 O TYR A 30 14.987 8.029 -3.004 1.00 0.82 O ATOM 451 CB TYR A 30 12.099 7.344 -1.819 1.00 0.72 C ATOM 452 CG TYR A 30 12.814 6.011 -1.912 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.424 5.051 -2.838 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.877 5.713 -1.069 1.00 0.80 C ATOM 455 CE1 TYR A 30 13.075 3.835 -2.923 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.533 4.499 -1.146 1.00 0.88 C ATOM 457 CZ TYR A 30 14.127 3.563 -2.075 1.00 0.83 C ATOM 458 OH TYR A 30 14.784 2.355 -2.165 1.00 0.96 O ATOM 0 H TYR A 30 13.300 7.553 -4.558 1.00 0.65 H new ATOM 0 HA TYR A 30 12.053 9.330 -2.621 1.00 0.72 H new ATOM 0 HB2 TYR A 30 12.178 7.714 -0.797 1.00 0.72 H new ATOM 0 HB3 TYR A 30 11.039 7.189 -2.021 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.598 5.259 -3.502 1.00 0.65 H new ATOM 0 HD2 TYR A 30 14.197 6.443 -0.340 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.761 3.101 -3.651 1.00 0.71 H new ATOM 0 HE2 TYR A 30 15.358 4.284 -0.483 1.00 0.88 H new ATOM 0 HH TYR A 30 15.480 2.309 -1.477 1.00 0.96 H new ATOM 468 N SER A 31 14.341 9.724 -1.683 1.00 0.85 N ATOM 469 CA SER A 31 15.689 10.089 -1.302 1.00 0.97 C ATOM 470 C SER A 31 15.931 9.719 0.154 1.00 0.88 C ATOM 471 O SER A 31 15.165 10.106 1.037 1.00 0.85 O ATOM 472 CB SER A 31 15.907 11.591 -1.505 1.00 1.20 C ATOM 473 OG SER A 31 17.210 11.983 -1.102 1.00 1.78 O ATOM 0 H SER A 31 13.615 10.314 -1.276 1.00 0.85 H new ATOM 0 HA SER A 31 16.394 9.545 -1.930 1.00 0.97 H new ATOM 0 HB2 SER A 31 15.758 11.844 -2.555 1.00 1.20 H new ATOM 0 HB3 SER A 31 15.165 12.149 -0.934 1.00 1.20 H new ATOM 0 HG SER A 31 17.321 12.946 -1.245 1.00 1.78 H new ATOM 479 N PRO A 32 16.994 8.940 0.418 1.00 0.96 N ATOM 480 CA PRO A 32 17.389 8.566 1.780 1.00 0.99 C ATOM 481 C PRO A 32 17.672 9.789 2.646 1.00 1.01 C ATOM 482 O PRO A 32 17.487 9.757 3.864 1.00 1.05 O ATOM 483 CB PRO A 32 18.662 7.737 1.576 1.00 1.23 C ATOM 484 CG PRO A 32 18.583 7.256 0.167 1.00 1.37 C ATOM 485 CD PRO A 32 17.883 8.345 -0.595 1.00 1.12 C ATOM 0 HA PRO A 32 16.601 8.022 2.301 1.00 0.99 H new ATOM 0 HB2 PRO A 32 19.556 8.339 1.739 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.707 6.903 2.276 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.577 7.070 -0.240 1.00 1.37 H new ATOM 0 HG3 PRO A 32 18.032 6.318 0.104 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.587 9.076 -0.993 1.00 1.12 H new ATOM 0 HD3 PRO A 32 17.322 7.949 -1.441 1.00 1.12 H new ATOM 493 N GLU A 33 18.099 10.871 2.002 1.00 1.09 N ATOM 494 CA GLU A 33 18.333 12.134 2.690 1.00 1.26 C ATOM 495 C GLU A 33 17.004 12.765 3.084 1.00 1.23 C ATOM 496 O GLU A 33 16.886 13.409 4.126 1.00 1.39 O ATOM 497 CB GLU A 33 19.094 13.117 1.797 1.00 1.48 C ATOM 498 CG GLU A 33 20.422 12.606 1.272 1.00 1.99 C ATOM 499 CD GLU A 33 21.143 13.654 0.445 1.00 2.43 C ATOM 500 OE1 GLU A 33 20.469 14.575 -0.069 1.00 2.83 O ATOM 501 OE2 GLU A 33 22.386 13.576 0.316 1.00 2.96 O ATOM 0 H GLU A 33 18.290 10.897 1.000 1.00 1.09 H new ATOM 0 HA GLU A 33 18.930 11.923 3.577 1.00 1.26 H new ATOM 0 HB2 GLU A 33 18.461 13.380 0.949 1.00 1.48 H new ATOM 0 HB3 GLU A 33 19.271 14.034 2.359 1.00 1.48 H new ATOM 0 HG2 GLU A 33 21.053 12.307 2.109 1.00 1.99 H new ATOM 0 HG3 GLU A 33 20.255 11.716 0.665 1.00 1.99 H new ATOM 508 N ASP A 34 16.003 12.563 2.239 1.00 1.12 N ATOM 509 CA ASP A 34 14.709 13.209 2.406 1.00 1.23 C ATOM 510 C ASP A 34 13.869 12.489 3.458 1.00 1.17 C ATOM 511 O ASP A 34 13.028 13.102 4.113 1.00 1.38 O ATOM 512 CB ASP A 34 13.970 13.266 1.067 1.00 1.33 C ATOM 513 CG ASP A 34 12.665 14.039 1.140 1.00 1.71 C ATOM 514 OD1 ASP A 34 12.708 15.263 1.375 1.00 2.14 O ATOM 515 OD2 ASP A 34 11.587 13.420 0.996 1.00 2.22 O ATOM 0 H ASP A 34 16.064 11.952 1.425 1.00 1.12 H new ATOM 0 HA ASP A 34 14.876 14.228 2.755 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.617 13.727 0.321 1.00 1.33 H new ATOM 0 HB3 ASP A 34 13.765 12.250 0.728 1.00 1.33 H new ATOM 520 N ILE A 35 14.128 11.198 3.645 1.00 0.97 N ATOM 521 CA ILE A 35 13.421 10.424 4.663 1.00 0.97 C ATOM 522 C ILE A 35 14.208 10.399 5.969 1.00 1.02 C ATOM 523 O ILE A 35 13.658 10.111 7.026 1.00 1.09 O ATOM 524 CB ILE A 35 13.162 8.965 4.215 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.456 8.328 3.695 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.064 8.910 3.164 1.00 0.95 C ATOM 527 CD1 ILE A 35 14.314 6.878 3.286 1.00 0.82 C ATOM 0 H ILE A 35 14.816 10.668 3.110 1.00 0.97 H new ATOM 0 HA ILE A 35 12.461 10.919 4.812 1.00 0.97 H new ATOM 0 HB ILE A 35 12.824 8.393 5.079 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.812 8.902 2.839 1.00 0.78 H new ATOM 0 HG13 ILE A 35 15.220 8.402 4.468 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.899 7.875 2.864 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.143 9.319 3.579 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.362 9.496 2.295 1.00 0.95 H new ATOM 0 HD11 ILE A 35 15.274 6.505 2.930 1.00 0.82 H new ATOM 0 HD12 ILE A 35 13.990 6.288 4.143 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.575 6.795 2.489 1.00 0.82 H new ATOM 539 N GLY A 36 15.501 10.693 5.887 1.00 1.08 N ATOM 540 CA GLY A 36 16.324 10.794 7.080 1.00 1.25 C ATOM 541 C GLY A 36 16.643 9.449 7.709 1.00 1.17 C ATOM 542 O GLY A 36 17.268 9.385 8.769 1.00 1.40 O ATOM 0 H GLY A 36 15.996 10.864 5.012 1.00 1.08 H new ATOM 0 HA2 GLY A 36 17.256 11.299 6.827 1.00 1.25 H new ATOM 0 HA3 GLY A 36 15.813 11.417 7.813 1.00 1.25 H new ATOM 546 N GLY A 37 16.222 8.376 7.057 1.00 0.97 N ATOM 547 CA GLY A 37 16.448 7.049 7.596 1.00 0.96 C ATOM 548 C GLY A 37 15.397 6.658 8.616 1.00 0.88 C ATOM 549 O GLY A 37 15.692 5.950 9.581 1.00 1.05 O ATOM 0 H GLY A 37 15.728 8.399 6.165 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.450 6.324 6.782 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.434 7.010 8.060 1.00 0.96 H new ATOM 553 N LEU A 38 14.166 7.104 8.394 1.00 0.77 N ATOM 554 CA LEU A 38 13.063 6.793 9.295 1.00 0.83 C ATOM 555 C LEU A 38 12.603 5.360 9.082 1.00 0.66 C ATOM 556 O LEU A 38 12.618 4.858 7.955 1.00 0.67 O ATOM 557 CB LEU A 38 11.887 7.749 9.065 1.00 1.06 C ATOM 558 CG LEU A 38 12.125 9.204 9.471 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.929 10.064 9.093 1.00 1.72 C ATOM 560 CD2 LEU A 38 12.390 9.302 10.964 1.00 1.20 C ATOM 0 H LEU A 38 13.906 7.684 7.596 1.00 0.77 H new ATOM 0 HA LEU A 38 13.416 6.912 10.319 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.625 7.725 8.007 1.00 1.06 H new ATOM 0 HB3 LEU A 38 11.025 7.374 9.616 1.00 1.06 H new ATOM 0 HG LEU A 38 13.001 9.571 8.936 1.00 1.05 H new ATOM 0 HD11 LEU A 38 11.115 11.096 9.389 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.774 10.018 8.015 1.00 1.72 H new ATOM 0 HD13 LEU A 38 10.040 9.695 9.604 1.00 1.72 H new ATOM 0 HD21 LEU A 38 12.557 10.344 11.236 1.00 1.20 H new ATOM 0 HD22 LEU A 38 11.530 8.917 11.512 1.00 1.20 H new ATOM 0 HD23 LEU A 38 13.273 8.715 11.216 1.00 1.20 H new ATOM 572 N ARG A 39 12.212 4.696 10.161 1.00 0.68 N ATOM 573 CA ARG A 39 11.708 3.336 10.067 1.00 0.59 C ATOM 574 C ARG A 39 10.202 3.344 9.865 1.00 0.52 C ATOM 575 O ARG A 39 9.475 4.128 10.488 1.00 0.62 O ATOM 576 CB ARG A 39 12.076 2.511 11.305 1.00 0.66 C ATOM 577 CG ARG A 39 11.529 3.064 12.609 1.00 0.76 C ATOM 578 CD ARG A 39 11.950 2.201 13.785 1.00 1.12 C ATOM 579 NE ARG A 39 11.352 2.643 15.043 1.00 2.00 N ATOM 580 CZ ARG A 39 11.714 2.180 16.236 1.00 2.70 C ATOM 581 NH1 ARG A 39 12.737 1.338 16.340 1.00 2.71 N ATOM 582 NH2 ARG A 39 11.072 2.578 17.327 1.00 3.77 N ATOM 0 H ARG A 39 12.234 5.076 11.107 1.00 0.68 H new ATOM 0 HA ARG A 39 12.180 2.866 9.204 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.707 1.494 11.172 1.00 0.66 H new ATOM 0 HB3 ARG A 39 13.162 2.450 11.377 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.887 4.083 12.755 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.441 3.112 12.560 1.00 0.76 H new ATOM 0 HD2 ARG A 39 11.664 1.167 13.594 1.00 1.12 H new ATOM 0 HD3 ARG A 39 13.036 2.220 13.876 1.00 1.12 H new ATOM 0 HE ARG A 39 10.615 3.347 15.004 1.00 2.00 H new ATOM 0 HH11 ARG A 39 13.245 1.047 15.505 1.00 2.71 H new ATOM 0 HH12 ARG A 39 13.014 0.983 17.255 1.00 2.71 H new ATOM 0 HH21 ARG A 39 10.300 3.240 17.251 1.00 3.77 H new ATOM 0 HH22 ARG A 39 11.351 2.222 18.241 1.00 3.77 H new ATOM 596 N SER A 40 9.744 2.480 8.983 1.00 0.45 N ATOM 597 CA SER A 40 8.341 2.401 8.633 1.00 0.50 C ATOM 598 C SER A 40 7.589 1.451 9.556 1.00 0.49 C ATOM 599 O SER A 40 8.185 0.613 10.233 1.00 0.48 O ATOM 600 CB SER A 40 8.220 1.934 7.186 1.00 0.56 C ATOM 601 OG SER A 40 9.120 0.868 6.930 1.00 0.50 O ATOM 0 H SER A 40 10.335 1.812 8.488 1.00 0.45 H new ATOM 0 HA SER A 40 7.894 3.389 8.747 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.198 1.611 6.986 1.00 0.56 H new ATOM 0 HB3 SER A 40 8.429 2.764 6.511 1.00 0.56 H new ATOM 0 HG SER A 40 8.653 0.013 7.036 1.00 0.50 H new ATOM 607 N SER A 41 6.274 1.598 9.578 1.00 0.59 N ATOM 608 CA SER A 41 5.415 0.728 10.355 1.00 0.68 C ATOM 609 C SER A 41 5.063 -0.505 9.541 1.00 0.65 C ATOM 610 O SER A 41 4.699 -0.398 8.368 1.00 0.66 O ATOM 611 CB SER A 41 4.151 1.483 10.754 1.00 0.85 C ATOM 612 OG SER A 41 4.478 2.665 11.466 1.00 1.54 O ATOM 0 H SER A 41 5.777 2.322 9.059 1.00 0.59 H new ATOM 0 HA SER A 41 5.936 0.412 11.259 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.576 1.736 9.863 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.519 0.844 11.371 1.00 0.85 H new ATOM 0 HG SER A 41 3.655 3.137 11.712 1.00 1.54 H new ATOM 618 N ALA A 42 5.200 -1.669 10.169 1.00 0.69 N ATOM 619 CA ALA A 42 5.008 -2.942 9.492 1.00 0.72 C ATOM 620 C ALA A 42 3.625 -3.053 8.869 1.00 0.63 C ATOM 621 O ALA A 42 2.621 -3.227 9.565 1.00 0.66 O ATOM 622 CB ALA A 42 5.248 -4.092 10.456 1.00 0.84 C ATOM 0 H ALA A 42 5.446 -1.754 11.155 1.00 0.69 H new ATOM 0 HA ALA A 42 5.735 -2.995 8.682 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.101 -5.039 9.937 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.268 -4.041 10.836 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.547 -4.022 11.288 1.00 0.84 H new ATOM 628 N LEU A 43 3.583 -2.942 7.553 1.00 0.59 N ATOM 629 CA LEU A 43 2.354 -3.123 6.804 1.00 0.54 C ATOM 630 C LEU A 43 2.529 -4.324 5.891 1.00 0.45 C ATOM 631 O LEU A 43 3.071 -4.211 4.794 1.00 0.51 O ATOM 632 CB LEU A 43 2.022 -1.854 5.993 1.00 0.65 C ATOM 633 CG LEU A 43 0.553 -1.686 5.567 1.00 0.83 C ATOM 634 CD1 LEU A 43 0.330 -0.296 4.993 1.00 1.42 C ATOM 635 CD2 LEU A 43 0.144 -2.741 4.545 1.00 1.42 C ATOM 0 H LEU A 43 4.396 -2.725 6.977 1.00 0.59 H new ATOM 0 HA LEU A 43 1.521 -3.298 7.485 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.309 -0.984 6.584 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.642 -1.848 5.096 1.00 0.65 H new ATOM 0 HG LEU A 43 -0.068 -1.816 6.454 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -0.713 -0.188 4.695 1.00 1.42 H new ATOM 0 HD12 LEU A 43 0.571 0.452 5.748 1.00 1.42 H new ATOM 0 HD13 LEU A 43 0.972 -0.154 4.124 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -0.899 -2.593 4.266 1.00 1.42 H new ATOM 0 HD22 LEU A 43 0.772 -2.652 3.659 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.266 -3.734 4.978 1.00 1.42 H new ATOM 647 N LYS A 44 2.111 -5.482 6.369 1.00 0.43 N ATOM 648 CA LYS A 44 2.259 -6.708 5.615 1.00 0.43 C ATOM 649 C LYS A 44 0.949 -7.490 5.582 1.00 0.41 C ATOM 650 O LYS A 44 0.381 -7.838 6.622 1.00 0.50 O ATOM 651 CB LYS A 44 3.408 -7.541 6.193 1.00 0.61 C ATOM 652 CG LYS A 44 3.292 -7.812 7.685 1.00 0.88 C ATOM 653 CD LYS A 44 4.516 -8.530 8.220 1.00 1.15 C ATOM 654 CE LYS A 44 4.366 -8.850 9.699 1.00 1.77 C ATOM 655 NZ LYS A 44 3.298 -9.856 9.947 1.00 2.43 N ATOM 0 H LYS A 44 1.665 -5.597 7.279 1.00 0.43 H new ATOM 0 HA LYS A 44 2.507 -6.462 4.583 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.453 -8.493 5.665 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.349 -7.025 6.001 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.161 -6.870 8.217 1.00 0.88 H new ATOM 0 HG3 LYS A 44 2.404 -8.413 7.878 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.673 -9.452 7.660 1.00 1.15 H new ATOM 0 HD3 LYS A 44 5.400 -7.910 8.068 1.00 1.15 H new ATOM 0 HE2 LYS A 44 5.313 -9.224 10.087 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.137 -7.936 10.246 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 3.373 -10.208 10.923 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 2.366 -9.415 9.809 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 3.407 -10.649 9.283 1.00 2.43 H new ATOM 669 N GLY A 45 0.458 -7.731 4.378 1.00 0.37 N ATOM 670 CA GLY A 45 -0.785 -8.450 4.205 1.00 0.37 C ATOM 671 C GLY A 45 -1.227 -8.462 2.758 1.00 0.33 C ATOM 672 O GLY A 45 -0.445 -8.147 1.868 1.00 0.34 O ATOM 0 H GLY A 45 0.904 -7.438 3.509 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.665 -9.474 4.558 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.560 -7.990 4.819 1.00 0.37 H new ATOM 676 N ARG A 46 -2.484 -8.788 2.521 1.00 0.35 N ATOM 677 CA ARG A 46 -2.998 -8.870 1.166 1.00 0.36 C ATOM 678 C ARG A 46 -3.769 -7.602 0.821 1.00 0.34 C ATOM 679 O ARG A 46 -4.938 -7.452 1.183 1.00 0.48 O ATOM 680 CB ARG A 46 -3.891 -10.098 0.994 1.00 0.49 C ATOM 681 CG ARG A 46 -4.400 -10.267 -0.426 1.00 0.97 C ATOM 682 CD ARG A 46 -5.250 -11.514 -0.576 1.00 1.13 C ATOM 683 NE ARG A 46 -5.744 -11.662 -1.942 1.00 1.77 N ATOM 684 CZ ARG A 46 -5.844 -12.821 -2.584 1.00 2.26 C ATOM 685 NH1 ARG A 46 -5.556 -13.965 -1.971 1.00 2.15 N ATOM 686 NH2 ARG A 46 -6.253 -12.828 -3.841 1.00 3.27 N ATOM 0 H ARG A 46 -3.167 -9.000 3.248 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.153 -8.968 0.484 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.334 -10.989 1.283 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.741 -10.020 1.672 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -4.985 -9.392 -0.709 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.554 -10.319 -1.111 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -4.663 -12.391 -0.303 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.093 -11.467 0.114 1.00 1.13 H new ATOM 0 HE ARG A 46 -6.032 -10.818 -2.437 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -5.254 -13.960 -0.997 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -5.637 -14.848 -2.475 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -6.487 -11.951 -4.306 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -6.334 -13.711 -4.346 1.00 3.27 H new ATOM 700 N HIS A 47 -3.106 -6.687 0.130 1.00 0.32 N ATOM 701 CA HIS A 47 -3.703 -5.406 -0.235 1.00 0.45 C ATOM 702 C HIS A 47 -3.345 -5.050 -1.669 1.00 0.43 C ATOM 703 O HIS A 47 -2.559 -5.749 -2.312 1.00 0.46 O ATOM 704 CB HIS A 47 -3.207 -4.285 0.693 1.00 0.68 C ATOM 705 CG HIS A 47 -3.663 -4.395 2.118 1.00 1.01 C ATOM 706 ND1 HIS A 47 -4.724 -3.678 2.628 1.00 1.79 N ATOM 707 CD2 HIS A 47 -3.173 -5.118 3.155 1.00 1.21 C ATOM 708 CE1 HIS A 47 -4.864 -3.951 3.909 1.00 1.98 C ATOM 709 NE2 HIS A 47 -3.938 -4.823 4.256 1.00 1.57 N ATOM 0 H HIS A 47 -2.146 -6.807 -0.193 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.784 -5.502 -0.135 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.117 -4.275 0.676 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -3.541 -3.328 0.293 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -2.336 -5.800 3.121 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -5.612 -3.531 4.565 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -3.811 -5.214 5.189 1.00 1.57 H new ATOM 718 N ASP A 48 -3.928 -3.972 -2.169 1.00 0.47 N ATOM 719 CA ASP A 48 -3.538 -3.422 -3.457 1.00 0.55 C ATOM 720 C ASP A 48 -2.522 -2.306 -3.235 1.00 0.48 C ATOM 721 O ASP A 48 -2.285 -1.906 -2.091 1.00 0.44 O ATOM 722 CB ASP A 48 -4.749 -2.874 -4.222 1.00 0.70 C ATOM 723 CG ASP A 48 -5.413 -1.717 -3.501 1.00 1.20 C ATOM 724 OD1 ASP A 48 -4.997 -0.558 -3.703 1.00 1.86 O ATOM 725 OD2 ASP A 48 -6.354 -1.964 -2.722 1.00 1.80 O ATOM 0 H ASP A 48 -4.675 -3.459 -1.701 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.098 -4.220 -4.055 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -4.432 -2.548 -5.213 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.476 -3.673 -4.367 1.00 0.70 H new ATOM 730 N LEU A 49 -1.931 -1.805 -4.309 1.00 0.50 N ATOM 731 CA LEU A 49 -0.904 -0.772 -4.207 1.00 0.51 C ATOM 732 C LEU A 49 -1.437 0.500 -3.534 1.00 0.42 C ATOM 733 O LEU A 49 -0.898 0.948 -2.517 1.00 0.43 O ATOM 734 CB LEU A 49 -0.357 -0.440 -5.598 1.00 0.61 C ATOM 735 CG LEU A 49 0.747 0.623 -5.629 1.00 0.73 C ATOM 736 CD1 LEU A 49 1.984 0.133 -4.893 1.00 1.16 C ATOM 737 CD2 LEU A 49 1.090 0.995 -7.063 1.00 1.18 C ATOM 0 H LEU A 49 -2.143 -2.095 -5.263 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.101 -1.164 -3.582 1.00 0.51 H new ATOM 0 HB2 LEU A 49 0.029 -1.355 -6.047 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.183 -0.102 -6.224 1.00 0.61 H new ATOM 0 HG LEU A 49 0.378 1.515 -5.122 1.00 0.73 H new ATOM 0 HD11 LEU A 49 2.756 0.902 -4.927 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.729 -0.080 -3.855 1.00 1.16 H new ATOM 0 HD13 LEU A 49 2.355 -0.775 -5.369 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.875 1.751 -7.065 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.437 0.110 -7.596 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.204 1.392 -7.558 1.00 1.18 H new ATOM 749 N GLN A 50 -2.504 1.057 -4.099 1.00 0.41 N ATOM 750 CA GLN A 50 -3.053 2.336 -3.651 1.00 0.42 C ATOM 751 C GLN A 50 -3.443 2.312 -2.174 1.00 0.39 C ATOM 752 O GLN A 50 -3.073 3.210 -1.417 1.00 0.41 O ATOM 753 CB GLN A 50 -4.273 2.730 -4.495 1.00 0.52 C ATOM 754 CG GLN A 50 -3.955 3.132 -5.932 1.00 1.21 C ATOM 755 CD GLN A 50 -3.538 1.968 -6.809 1.00 1.67 C ATOM 756 OE1 GLN A 50 -2.355 1.657 -6.933 1.00 2.15 O ATOM 757 NE2 GLN A 50 -4.511 1.317 -7.425 1.00 2.39 N ATOM 0 H GLN A 50 -3.012 0.638 -4.878 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.264 3.077 -3.780 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -4.970 1.892 -4.513 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.783 3.559 -4.005 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -4.832 3.610 -6.369 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -3.157 3.875 -5.925 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -5.480 1.607 -7.296 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -4.292 0.525 -8.029 1.00 2.39 H new ATOM 766 N SER A 51 -4.187 1.291 -1.773 1.00 0.41 N ATOM 767 CA SER A 51 -4.667 1.190 -0.397 1.00 0.46 C ATOM 768 C SER A 51 -3.510 1.099 0.598 1.00 0.41 C ATOM 769 O SER A 51 -3.567 1.678 1.684 1.00 0.43 O ATOM 770 CB SER A 51 -5.581 -0.017 -0.244 1.00 0.57 C ATOM 771 OG SER A 51 -6.682 0.071 -1.135 1.00 1.33 O ATOM 0 H SER A 51 -4.472 0.521 -2.378 1.00 0.41 H new ATOM 0 HA SER A 51 -5.229 2.098 -0.176 1.00 0.46 H new ATOM 0 HB2 SER A 51 -5.020 -0.931 -0.440 1.00 0.57 H new ATOM 0 HB3 SER A 51 -5.942 -0.078 0.783 1.00 0.57 H new ATOM 0 HG SER A 51 -6.880 -0.817 -1.499 1.00 1.33 H new ATOM 777 N SER A 52 -2.470 0.363 0.232 1.00 0.40 N ATOM 778 CA SER A 52 -1.291 0.244 1.075 1.00 0.43 C ATOM 779 C SER A 52 -0.635 1.607 1.294 1.00 0.41 C ATOM 780 O SER A 52 -0.227 1.933 2.405 1.00 0.45 O ATOM 781 CB SER A 52 -0.305 -0.741 0.456 1.00 0.49 C ATOM 782 OG SER A 52 -0.933 -1.994 0.241 1.00 1.21 O ATOM 0 H SER A 52 -2.420 -0.160 -0.642 1.00 0.40 H new ATOM 0 HA SER A 52 -1.598 -0.135 2.050 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.069 -0.347 -0.489 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.556 -0.866 1.113 1.00 0.49 H new ATOM 0 HG SER A 52 -1.416 -1.976 -0.612 1.00 1.21 H new ATOM 788 N LEU A 53 -0.569 2.406 0.233 1.00 0.39 N ATOM 789 CA LEU A 53 0.003 3.748 0.320 1.00 0.41 C ATOM 790 C LEU A 53 -0.812 4.622 1.267 1.00 0.40 C ATOM 791 O LEU A 53 -0.263 5.466 1.975 1.00 0.46 O ATOM 792 CB LEU A 53 0.065 4.395 -1.064 1.00 0.44 C ATOM 793 CG LEU A 53 0.972 3.692 -2.074 1.00 0.51 C ATOM 794 CD1 LEU A 53 0.904 4.387 -3.424 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.406 3.655 -1.566 1.00 0.56 C ATOM 0 H LEU A 53 -0.903 2.149 -0.696 1.00 0.39 H new ATOM 0 HA LEU A 53 1.016 3.659 0.713 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.944 4.435 -1.474 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.404 5.425 -0.951 1.00 0.44 H new ATOM 0 HG LEU A 53 0.623 2.667 -2.196 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.556 3.873 -4.131 1.00 0.70 H new ATOM 0 HD12 LEU A 53 -0.121 4.365 -3.793 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.229 5.422 -3.317 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.038 3.151 -2.297 1.00 0.56 H new ATOM 0 HD22 LEU A 53 2.765 4.673 -1.416 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.443 3.114 -0.620 1.00 0.56 H new ATOM 807 N ARG A 54 -2.123 4.403 1.286 1.00 0.38 N ATOM 808 CA ARG A 54 -3.020 5.165 2.152 1.00 0.43 C ATOM 809 C ARG A 54 -2.642 4.992 3.618 1.00 0.42 C ATOM 810 O ARG A 54 -2.466 5.968 4.343 1.00 0.48 O ATOM 811 CB ARG A 54 -4.472 4.723 1.946 1.00 0.51 C ATOM 812 CG ARG A 54 -5.005 4.979 0.546 1.00 1.10 C ATOM 813 CD ARG A 54 -5.041 6.461 0.222 1.00 1.31 C ATOM 814 NE ARG A 54 -5.895 7.201 1.147 1.00 1.87 N ATOM 815 CZ ARG A 54 -6.101 8.515 1.082 1.00 2.48 C ATOM 816 NH1 ARG A 54 -5.509 9.245 0.144 1.00 2.70 N ATOM 817 NH2 ARG A 54 -6.900 9.095 1.964 1.00 3.38 N ATOM 0 H ARG A 54 -2.590 3.702 0.710 1.00 0.38 H new ATOM 0 HA ARG A 54 -2.922 6.217 1.884 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -4.551 3.658 2.164 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -5.105 5.243 2.665 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.379 4.462 -0.182 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -6.008 4.562 0.457 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -4.029 6.865 0.260 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -5.403 6.601 -0.797 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.362 6.679 1.888 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -4.891 8.800 -0.534 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -5.673 10.251 0.102 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -7.353 8.536 2.687 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -7.063 10.101 1.921 1.00 3.38 H new ATOM 831 N ILE A 55 -2.497 3.743 4.041 1.00 0.42 N ATOM 832 CA ILE A 55 -2.246 3.436 5.441 1.00 0.47 C ATOM 833 C ILE A 55 -0.772 3.626 5.805 1.00 0.49 C ATOM 834 O ILE A 55 -0.444 3.998 6.931 1.00 0.59 O ATOM 835 CB ILE A 55 -2.673 1.987 5.774 1.00 0.56 C ATOM 836 CG1 ILE A 55 -4.124 1.756 5.345 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.507 1.707 7.261 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.607 0.339 5.568 1.00 1.24 C ATOM 0 H ILE A 55 -2.549 2.926 3.433 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.842 4.133 6.030 1.00 0.47 H new ATOM 0 HB ILE A 55 -2.030 1.300 5.224 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.769 2.441 5.895 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -4.225 2.002 4.288 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.813 0.683 7.475 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.462 1.840 7.542 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -3.127 2.397 7.833 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.643 0.252 5.240 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -3.986 -0.351 4.996 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.540 0.094 6.628 1.00 1.24 H new ATOM 850 N LEU A 56 0.111 3.385 4.843 1.00 0.45 N ATOM 851 CA LEU A 56 1.547 3.435 5.099 1.00 0.52 C ATOM 852 C LEU A 56 1.991 4.857 5.445 1.00 0.53 C ATOM 853 O LEU A 56 2.718 5.069 6.417 1.00 0.65 O ATOM 854 CB LEU A 56 2.318 2.908 3.879 1.00 0.57 C ATOM 855 CG LEU A 56 3.702 2.304 4.167 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.201 1.537 2.954 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.709 3.378 4.555 1.00 1.63 C ATOM 0 H LEU A 56 -0.140 3.154 3.882 1.00 0.45 H new ATOM 0 HA LEU A 56 1.768 2.798 5.956 1.00 0.52 H new ATOM 0 HB2 LEU A 56 1.708 2.150 3.388 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.441 3.727 3.170 1.00 0.57 H new ATOM 0 HG LEU A 56 3.599 1.620 5.009 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.182 1.114 3.170 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.503 0.734 2.719 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.277 2.213 2.102 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.676 2.916 4.752 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.808 4.095 3.740 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.364 3.893 5.452 1.00 1.63 H new ATOM 869 N LEU A 57 1.545 5.829 4.666 1.00 0.51 N ATOM 870 CA LEU A 57 1.961 7.210 4.873 1.00 0.63 C ATOM 871 C LEU A 57 1.071 7.902 5.904 1.00 0.72 C ATOM 872 O LEU A 57 1.435 8.949 6.442 1.00 1.16 O ATOM 873 CB LEU A 57 1.961 7.995 3.552 1.00 0.80 C ATOM 874 CG LEU A 57 3.032 7.588 2.520 1.00 1.29 C ATOM 875 CD1 LEU A 57 4.400 7.474 3.171 1.00 1.68 C ATOM 876 CD2 LEU A 57 2.670 6.284 1.829 1.00 2.17 C ATOM 0 H LEU A 57 0.899 5.691 3.889 1.00 0.51 H new ATOM 0 HA LEU A 57 2.981 7.191 5.257 1.00 0.63 H new ATOM 0 HB2 LEU A 57 0.980 7.887 3.089 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.090 9.053 3.782 1.00 0.80 H new ATOM 0 HG LEU A 57 3.070 8.374 1.765 1.00 1.29 H new ATOM 0 HD11 LEU A 57 5.137 7.186 2.421 1.00 1.68 H new ATOM 0 HD12 LEU A 57 4.679 8.435 3.603 1.00 1.68 H new ATOM 0 HD13 LEU A 57 4.367 6.719 3.957 1.00 1.68 H new ATOM 0 HD21 LEU A 57 3.446 6.027 1.108 1.00 2.17 H new ATOM 0 HD22 LEU A 57 2.586 5.490 2.571 1.00 2.17 H new ATOM 0 HD23 LEU A 57 1.718 6.399 1.311 1.00 2.17 H new ATOM 888 N GLN A 58 -0.100 7.325 6.144 1.00 0.61 N ATOM 889 CA GLN A 58 -1.016 7.800 7.181 1.00 0.79 C ATOM 890 C GLN A 58 -0.310 7.981 8.530 1.00 1.05 C ATOM 891 O GLN A 58 -0.066 7.010 9.250 1.00 2.03 O ATOM 892 CB GLN A 58 -2.174 6.816 7.345 1.00 0.90 C ATOM 893 CG GLN A 58 -3.206 7.243 8.375 1.00 1.29 C ATOM 894 CD GLN A 58 -4.241 6.170 8.634 1.00 1.60 C ATOM 895 OE1 GLN A 58 -4.072 5.325 9.515 1.00 2.30 O ATOM 896 NE2 GLN A 58 -5.321 6.189 7.874 1.00 1.85 N ATOM 0 H GLN A 58 -0.444 6.515 5.628 1.00 0.61 H new ATOM 0 HA GLN A 58 -1.392 8.772 6.863 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.668 6.688 6.382 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.773 5.843 7.629 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.702 7.491 9.309 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -3.705 8.149 8.032 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -5.426 6.904 7.155 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -6.050 5.488 8.007 1.00 1.85 H new ATOM 905 N GLY A 59 0.023 9.224 8.866 1.00 0.97 N ATOM 906 CA GLY A 59 0.579 9.510 10.174 1.00 1.28 C ATOM 907 C GLY A 59 2.037 9.924 10.136 1.00 1.13 C ATOM 908 O GLY A 59 2.541 10.513 11.094 1.00 1.42 O ATOM 0 H GLY A 59 -0.082 10.035 8.257 1.00 0.97 H new ATOM 0 HA2 GLY A 59 -0.003 10.304 10.642 1.00 1.28 H new ATOM 0 HA3 GLY A 59 0.477 8.626 10.804 1.00 1.28 H new ATOM 912 N THR A 60 2.723 9.635 9.037 1.00 0.95 N ATOM 913 CA THR A 60 4.149 9.929 8.947 1.00 0.99 C ATOM 914 C THR A 60 4.407 11.298 8.329 1.00 1.06 C ATOM 915 O THR A 60 5.552 11.746 8.250 1.00 1.25 O ATOM 916 CB THR A 60 4.895 8.852 8.136 1.00 1.04 C ATOM 917 OG1 THR A 60 4.246 8.644 6.874 1.00 0.99 O ATOM 918 CG2 THR A 60 4.955 7.542 8.904 1.00 1.21 C ATOM 0 H THR A 60 2.322 9.203 8.205 1.00 0.95 H new ATOM 0 HA THR A 60 4.529 9.932 9.968 1.00 0.99 H new ATOM 0 HB THR A 60 5.913 9.202 7.964 1.00 1.04 H new ATOM 0 HG1 THR A 60 4.729 7.959 6.367 1.00 0.99 H new ATOM 0 HG21 THR A 60 5.486 6.797 8.312 1.00 1.21 H new ATOM 0 HG22 THR A 60 5.479 7.697 9.847 1.00 1.21 H new ATOM 0 HG23 THR A 60 3.943 7.191 9.105 1.00 1.21 H new ATOM 926 N GLY A 61 3.334 11.974 7.926 1.00 1.08 N ATOM 927 CA GLY A 61 3.458 13.289 7.322 1.00 1.32 C ATOM 928 C GLY A 61 4.176 13.281 5.984 1.00 1.26 C ATOM 929 O GLY A 61 4.667 14.314 5.534 1.00 1.35 O ATOM 0 H GLY A 61 2.377 11.632 8.008 1.00 1.08 H new ATOM 0 HA2 GLY A 61 2.463 13.713 7.188 1.00 1.32 H new ATOM 0 HA3 GLY A 61 3.994 13.945 8.008 1.00 1.32 H new ATOM 933 N LEU A 62 4.239 12.126 5.339 1.00 1.16 N ATOM 934 CA LEU A 62 4.922 12.023 4.062 1.00 1.11 C ATOM 935 C LEU A 62 3.940 12.243 2.919 1.00 1.07 C ATOM 936 O LEU A 62 2.736 12.021 3.065 1.00 1.14 O ATOM 937 CB LEU A 62 5.596 10.658 3.917 1.00 1.10 C ATOM 938 CG LEU A 62 6.589 10.294 5.025 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.273 8.973 4.716 1.00 1.23 C ATOM 940 CD2 LEU A 62 7.618 11.393 5.207 1.00 1.28 C ATOM 0 H LEU A 62 3.829 11.255 5.676 1.00 1.16 H new ATOM 0 HA LEU A 62 5.691 12.795 4.023 1.00 1.11 H new ATOM 0 HB2 LEU A 62 4.822 9.892 3.880 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.118 10.629 2.961 1.00 1.10 H new ATOM 0 HG LEU A 62 6.034 10.187 5.957 1.00 1.19 H new ATOM 0 HD11 LEU A 62 7.975 8.731 5.514 1.00 1.23 H new ATOM 0 HD12 LEU A 62 6.524 8.185 4.640 1.00 1.23 H new ATOM 0 HD13 LEU A 62 7.812 9.054 3.772 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.313 11.113 5.999 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.167 11.535 4.276 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.115 12.321 5.477 1.00 1.28 H new ATOM 952 N ARG A 63 4.458 12.690 1.790 1.00 1.01 N ATOM 953 CA ARG A 63 3.640 12.952 0.619 1.00 1.03 C ATOM 954 C ARG A 63 3.990 11.960 -0.486 1.00 0.92 C ATOM 955 O ARG A 63 5.153 11.840 -0.875 1.00 0.87 O ATOM 956 CB ARG A 63 3.878 14.385 0.135 1.00 1.15 C ATOM 957 CG ARG A 63 2.934 14.838 -0.965 1.00 1.51 C ATOM 958 CD ARG A 63 1.523 15.033 -0.443 1.00 1.78 C ATOM 959 NE ARG A 63 0.611 15.496 -1.486 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.703 15.642 -1.316 1.00 3.28 C ATOM 961 NH1 ARG A 63 -1.261 15.351 -0.149 1.00 3.53 N ATOM 962 NH2 ARG A 63 -1.465 16.072 -2.314 1.00 4.21 N ATOM 0 H ARG A 63 5.451 12.881 1.658 1.00 1.01 H new ATOM 0 HA ARG A 63 2.588 12.835 0.879 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.781 15.063 0.983 1.00 1.15 H new ATOM 0 HB3 ARG A 63 4.903 14.469 -0.225 1.00 1.15 H new ATOM 0 HG2 ARG A 63 3.296 15.772 -1.395 1.00 1.51 H new ATOM 0 HG3 ARG A 63 2.927 14.100 -1.767 1.00 1.51 H new ATOM 0 HD2 ARG A 63 1.156 14.093 -0.032 1.00 1.78 H new ATOM 0 HD3 ARG A 63 1.535 15.755 0.374 1.00 1.78 H new ATOM 0 HE ARG A 63 1.004 15.721 -2.400 1.00 2.51 H new ATOM 0 HH11 ARG A 63 -0.684 15.014 0.622 1.00 3.53 H new ATOM 0 HH12 ARG A 63 -2.267 15.464 -0.022 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -1.046 16.293 -3.217 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -2.470 16.182 -2.178 1.00 4.21 H new ATOM 976 N TYR A 64 2.986 11.256 -0.986 1.00 0.96 N ATOM 977 CA TYR A 64 3.204 10.284 -2.050 1.00 0.91 C ATOM 978 C TYR A 64 2.526 10.719 -3.346 1.00 0.89 C ATOM 979 O TYR A 64 1.327 10.984 -3.380 1.00 0.94 O ATOM 980 CB TYR A 64 2.732 8.879 -1.630 1.00 0.92 C ATOM 981 CG TYR A 64 1.279 8.792 -1.199 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.909 9.061 0.114 1.00 1.02 C ATOM 983 CD2 TYR A 64 0.282 8.435 -2.100 1.00 1.06 C ATOM 984 CE1 TYR A 64 -0.411 8.977 0.514 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.039 8.351 -1.705 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.381 8.624 -0.399 1.00 1.20 C ATOM 987 OH TYR A 64 -2.695 8.548 -0.003 1.00 1.37 O ATOM 0 H TYR A 64 2.018 11.337 -0.676 1.00 0.96 H new ATOM 0 HA TYR A 64 4.278 10.236 -2.233 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.889 8.195 -2.464 1.00 0.92 H new ATOM 0 HB3 TYR A 64 3.360 8.531 -0.810 1.00 0.92 H new ATOM 0 HD1 TYR A 64 1.665 9.340 0.833 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.545 8.220 -3.125 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -0.681 9.187 1.538 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.801 8.072 -2.418 1.00 1.18 H new ATOM 0 HH TYR A 64 -2.940 9.367 0.475 1.00 1.37 H new ATOM 997 N GLN A 65 3.318 10.831 -4.400 1.00 0.90 N ATOM 998 CA GLN A 65 2.794 11.116 -5.725 1.00 0.93 C ATOM 999 C GLN A 65 2.722 9.820 -6.517 1.00 0.87 C ATOM 1000 O GLN A 65 3.749 9.270 -6.905 1.00 0.86 O ATOM 1001 CB GLN A 65 3.680 12.122 -6.482 1.00 1.03 C ATOM 1002 CG GLN A 65 3.820 13.492 -5.826 1.00 1.59 C ATOM 1003 CD GLN A 65 4.865 13.524 -4.725 1.00 2.07 C ATOM 1004 OE1 GLN A 65 4.436 13.327 -3.493 1.00 2.64 O flip ATOM 1005 NE2 GLN A 65 6.046 13.755 -4.982 1.00 2.63 N flip ATOM 0 H GLN A 65 4.332 10.728 -4.362 1.00 0.90 H new ATOM 0 HA GLN A 65 1.803 11.556 -5.613 1.00 0.93 H new ATOM 0 HB2 GLN A 65 4.674 11.690 -6.598 1.00 1.03 H new ATOM 0 HB3 GLN A 65 3.273 12.257 -7.484 1.00 1.03 H new ATOM 0 HG2 GLN A 65 4.081 14.227 -6.587 1.00 1.59 H new ATOM 0 HG3 GLN A 65 2.857 13.790 -5.412 1.00 1.59 H new ATOM 0 HE21 GLN A 65 6.338 13.902 -5.948 1.00 2.63 H new ATOM 0 HE22 GLN A 65 6.733 13.800 -4.229 1.00 2.63 H new ATOM 1014 N ILE A 66 1.516 9.324 -6.730 1.00 0.88 N ATOM 1015 CA ILE A 66 1.328 8.088 -7.471 1.00 0.86 C ATOM 1016 C ILE A 66 0.701 8.365 -8.835 1.00 0.98 C ATOM 1017 O ILE A 66 -0.338 9.020 -8.936 1.00 1.11 O ATOM 1018 CB ILE A 66 0.469 7.066 -6.684 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.205 5.819 -7.535 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -0.839 7.692 -6.218 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.576 4.740 -6.817 1.00 1.13 C ATOM 0 H ILE A 66 0.653 9.757 -6.401 1.00 0.88 H new ATOM 0 HA ILE A 66 2.315 7.648 -7.618 1.00 0.86 H new ATOM 0 HB ILE A 66 1.027 6.765 -5.797 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.340 6.112 -8.432 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.159 5.406 -7.863 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.421 6.952 -5.669 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -0.625 8.541 -5.568 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.408 8.032 -7.083 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.722 3.891 -7.485 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.023 4.417 -5.935 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.546 5.134 -6.513 1.00 1.13 H new ATOM 1033 N ASP A 67 1.358 7.886 -9.880 1.00 1.04 N ATOM 1034 CA ASP A 67 0.854 8.016 -11.240 1.00 1.25 C ATOM 1035 C ASP A 67 1.243 6.792 -12.054 1.00 1.20 C ATOM 1036 O ASP A 67 2.425 6.462 -12.165 1.00 1.13 O ATOM 1037 CB ASP A 67 1.390 9.286 -11.903 1.00 1.45 C ATOM 1038 CG ASP A 67 0.983 9.398 -13.359 1.00 1.82 C ATOM 1039 OD1 ASP A 67 -0.233 9.488 -13.636 1.00 2.28 O ATOM 1040 OD2 ASP A 67 1.870 9.375 -14.236 1.00 2.29 O ATOM 0 H ASP A 67 2.251 7.398 -9.811 1.00 1.04 H new ATOM 0 HA ASP A 67 -0.233 8.089 -11.200 1.00 1.25 H new ATOM 0 HB2 ASP A 67 1.025 10.157 -11.359 1.00 1.45 H new ATOM 0 HB3 ASP A 67 2.478 9.298 -11.831 1.00 1.45 H new ATOM 1045 N GLY A 68 0.248 6.120 -12.608 1.00 1.28 N ATOM 1046 CA GLY A 68 0.498 4.898 -13.348 1.00 1.30 C ATOM 1047 C GLY A 68 1.140 3.826 -12.485 1.00 1.14 C ATOM 1048 O GLY A 68 0.491 3.249 -11.611 1.00 1.18 O ATOM 0 H GLY A 68 -0.732 6.398 -12.560 1.00 1.28 H new ATOM 0 HA2 GLY A 68 -0.442 4.522 -13.753 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.146 5.115 -14.197 1.00 1.30 H new ATOM 1052 N ASN A 69 2.417 3.571 -12.731 1.00 1.03 N ATOM 1053 CA ASN A 69 3.169 2.585 -11.958 1.00 0.94 C ATOM 1054 C ASN A 69 4.373 3.248 -11.298 1.00 0.75 C ATOM 1055 O ASN A 69 5.320 2.584 -10.873 1.00 0.69 O ATOM 1056 CB ASN A 69 3.623 1.420 -12.853 1.00 1.06 C ATOM 1057 CG ASN A 69 4.631 1.839 -13.911 1.00 1.67 C ATOM 1058 OD1 ASN A 69 4.665 2.996 -14.335 1.00 2.35 O ATOM 1059 ND2 ASN A 69 5.449 0.900 -14.359 1.00 2.29 N ATOM 0 H ASN A 69 2.958 4.033 -13.462 1.00 1.03 H new ATOM 0 HA ASN A 69 2.517 2.183 -11.183 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.062 0.641 -12.230 1.00 1.06 H new ATOM 0 HB3 ASN A 69 2.752 0.984 -13.342 1.00 1.06 H new ATOM 0 HD21 ASN A 69 6.136 1.123 -15.079 1.00 2.29 H new ATOM 0 HD22 ASN A 69 5.392 -0.047 -13.985 1.00 2.29 H new ATOM 1066 N THR A 70 4.321 4.567 -11.218 1.00 0.74 N ATOM 1067 CA THR A 70 5.390 5.344 -10.618 1.00 0.68 C ATOM 1068 C THR A 70 4.901 6.024 -9.340 1.00 0.63 C ATOM 1069 O THR A 70 3.824 6.622 -9.316 1.00 0.71 O ATOM 1070 CB THR A 70 5.913 6.404 -11.607 1.00 0.85 C ATOM 1071 OG1 THR A 70 6.265 5.771 -12.845 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.126 7.131 -11.046 1.00 0.89 C ATOM 0 H THR A 70 3.541 5.126 -11.565 1.00 0.74 H new ATOM 0 HA THR A 70 6.205 4.665 -10.369 1.00 0.68 H new ATOM 0 HB THR A 70 5.122 7.136 -11.773 1.00 0.85 H new ATOM 0 HG1 THR A 70 6.596 6.445 -13.475 1.00 0.97 H new ATOM 0 HG21 THR A 70 7.472 7.872 -11.767 1.00 0.89 H new ATOM 0 HG22 THR A 70 6.853 7.629 -10.116 1.00 0.89 H new ATOM 0 HG23 THR A 70 7.923 6.413 -10.853 1.00 0.89 H new ATOM 1080 N VAL A 71 5.685 5.905 -8.276 1.00 0.56 N ATOM 1081 CA VAL A 71 5.341 6.496 -6.993 1.00 0.58 C ATOM 1082 C VAL A 71 6.513 7.319 -6.465 1.00 0.57 C ATOM 1083 O VAL A 71 7.641 6.841 -6.422 1.00 0.57 O ATOM 1084 CB VAL A 71 4.965 5.419 -5.948 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.537 6.065 -4.638 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.867 4.508 -6.476 1.00 0.65 C ATOM 0 H VAL A 71 6.571 5.399 -8.279 1.00 0.56 H new ATOM 0 HA VAL A 71 4.474 7.138 -7.151 1.00 0.58 H new ATOM 0 HB VAL A 71 5.850 4.811 -5.759 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.277 5.289 -3.918 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.356 6.666 -4.244 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.671 6.703 -4.813 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.621 3.760 -5.722 1.00 0.65 H new ATOM 0 HG22 VAL A 71 2.980 5.100 -6.702 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.212 4.010 -7.382 1.00 0.65 H new ATOM 1096 N THR A 72 6.245 8.557 -6.089 1.00 0.63 N ATOM 1097 CA THR A 72 7.269 9.426 -5.532 1.00 0.66 C ATOM 1098 C THR A 72 6.941 9.746 -4.078 1.00 0.70 C ATOM 1099 O THR A 72 5.891 10.313 -3.783 1.00 0.78 O ATOM 1100 CB THR A 72 7.385 10.730 -6.343 1.00 0.75 C ATOM 1101 OG1 THR A 72 7.508 10.412 -7.736 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.588 11.550 -5.896 1.00 0.80 C ATOM 0 H THR A 72 5.322 8.986 -6.159 1.00 0.63 H new ATOM 0 HA THR A 72 8.226 8.906 -5.582 1.00 0.66 H new ATOM 0 HB THR A 72 6.487 11.325 -6.173 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.580 11.240 -8.255 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.644 12.465 -6.486 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.483 11.804 -4.841 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.499 10.969 -6.040 1.00 0.80 H new ATOM 1110 N VAL A 73 7.829 9.362 -3.174 1.00 0.70 N ATOM 1111 CA VAL A 73 7.590 9.545 -1.751 1.00 0.76 C ATOM 1112 C VAL A 73 8.570 10.555 -1.172 1.00 0.90 C ATOM 1113 O VAL A 73 9.771 10.306 -1.120 1.00 1.01 O ATOM 1114 CB VAL A 73 7.715 8.213 -0.976 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.385 8.410 0.497 1.00 0.89 C ATOM 1116 CG2 VAL A 73 6.813 7.151 -1.588 1.00 0.75 C ATOM 0 H VAL A 73 8.721 8.922 -3.400 1.00 0.70 H new ATOM 0 HA VAL A 73 6.571 9.916 -1.640 1.00 0.76 H new ATOM 0 HB VAL A 73 8.748 7.873 -1.050 1.00 0.79 H new ATOM 0 HG11 VAL A 73 7.480 7.459 1.021 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.075 9.134 0.931 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.364 8.778 0.595 1.00 0.89 H new ATOM 0 HG21 VAL A 73 6.915 6.221 -1.029 1.00 0.75 H new ATOM 0 HG22 VAL A 73 5.777 7.487 -1.548 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.100 6.984 -2.626 1.00 0.75 H new ATOM 1126 N THR A 74 8.049 11.697 -0.754 1.00 0.97 N ATOM 1127 CA THR A 74 8.877 12.745 -0.182 1.00 1.15 C ATOM 1128 C THR A 74 8.252 13.280 1.108 1.00 1.11 C ATOM 1129 O THR A 74 7.031 13.264 1.268 1.00 0.99 O ATOM 1130 CB THR A 74 9.089 13.896 -1.198 1.00 1.38 C ATOM 1131 OG1 THR A 74 10.002 14.871 -0.672 1.00 1.87 O ATOM 1132 CG2 THR A 74 7.768 14.567 -1.551 1.00 1.47 C ATOM 0 H THR A 74 7.055 11.922 -0.800 1.00 0.97 H new ATOM 0 HA THR A 74 9.850 12.316 0.056 1.00 1.15 H new ATOM 0 HB THR A 74 9.511 13.463 -2.105 1.00 1.38 H new ATOM 0 HG1 THR A 74 10.537 14.466 0.043 1.00 1.87 H new ATOM 0 HG21 THR A 74 7.947 15.370 -2.265 1.00 1.47 H new ATOM 0 HG22 THR A 74 7.094 13.833 -1.992 1.00 1.47 H new ATOM 0 HG23 THR A 74 7.316 14.978 -0.648 1.00 1.47 H new ATOM 1140 N ALA A 75 9.094 13.731 2.030 1.00 1.29 N ATOM 1141 CA ALA A 75 8.633 14.256 3.306 1.00 1.36 C ATOM 1142 C ALA A 75 8.167 15.700 3.157 1.00 1.48 C ATOM 1143 O ALA A 75 8.980 16.609 2.977 1.00 1.72 O ATOM 1144 CB ALA A 75 9.743 14.159 4.347 1.00 1.56 C ATOM 0 H ALA A 75 10.107 13.743 1.914 1.00 1.29 H new ATOM 0 HA ALA A 75 7.786 13.657 3.641 1.00 1.36 H new ATOM 0 HB1 ALA A 75 9.386 14.555 5.298 1.00 1.56 H new ATOM 0 HB2 ALA A 75 10.032 13.116 4.474 1.00 1.56 H new ATOM 0 HB3 ALA A 75 10.605 14.737 4.014 1.00 1.56 H new ATOM 1150 N SER A 76 6.862 15.906 3.241 1.00 1.52 N ATOM 1151 CA SER A 76 6.282 17.228 3.054 1.00 1.75 C ATOM 1152 C SER A 76 6.290 18.006 4.367 1.00 2.24 C ATOM 1153 O SER A 76 5.786 17.531 5.385 1.00 2.81 O ATOM 1154 CB SER A 76 4.852 17.098 2.517 1.00 2.10 C ATOM 1155 OG SER A 76 4.292 18.365 2.209 1.00 2.68 O ATOM 0 H SER A 76 6.182 15.172 3.438 1.00 1.52 H new ATOM 0 HA SER A 76 6.883 17.777 2.329 1.00 1.75 H new ATOM 0 HB2 SER A 76 4.854 16.474 1.624 1.00 2.10 H new ATOM 0 HB3 SER A 76 4.229 16.595 3.257 1.00 2.10 H new ATOM 0 HG SER A 76 3.381 18.246 1.868 1.00 2.68 H new ATOM 1161 N ALA A 77 6.886 19.192 4.342 1.00 2.71 N ATOM 1162 CA ALA A 77 6.927 20.053 5.513 1.00 3.56 C ATOM 1163 C ALA A 77 5.617 20.818 5.643 1.00 4.02 C ATOM 1164 O ALA A 77 5.122 21.387 4.667 1.00 4.62 O ATOM 1165 CB ALA A 77 8.106 21.013 5.432 1.00 4.29 C ATOM 0 H ALA A 77 7.349 19.579 3.519 1.00 2.71 H new ATOM 0 HA ALA A 77 7.058 19.433 6.400 1.00 3.56 H new ATOM 0 HB1 ALA A 77 8.119 21.649 6.317 1.00 4.29 H new ATOM 0 HB2 ALA A 77 9.035 20.445 5.379 1.00 4.29 H new ATOM 0 HB3 ALA A 77 8.009 21.634 4.541 1.00 4.29 H new ATOM 1171 N ALA A 78 5.055 20.825 6.841 1.00 4.20 N ATOM 1172 CA ALA A 78 3.773 21.470 7.068 1.00 5.03 C ATOM 1173 C ALA A 78 3.959 22.931 7.459 1.00 5.55 C ATOM 1174 O ALA A 78 5.041 23.319 7.907 1.00 5.99 O ATOM 1175 CB ALA A 78 2.984 20.730 8.136 1.00 5.72 C ATOM 0 H ALA A 78 5.465 20.393 7.669 1.00 4.20 H new ATOM 0 HA ALA A 78 3.209 21.437 6.136 1.00 5.03 H new ATOM 0 HB1 ALA A 78 2.027 21.228 8.292 1.00 5.72 H new ATOM 0 HB2 ALA A 78 2.810 19.703 7.814 1.00 5.72 H new ATOM 0 HB3 ALA A 78 3.548 20.727 9.069 1.00 5.72 H new ATOM 1181 N ALA A 79 2.917 23.734 7.269 1.00 5.86 N ATOM 1182 CA ALA A 79 2.960 25.152 7.621 1.00 6.63 C ATOM 1183 C ALA A 79 3.376 25.338 9.077 1.00 7.15 C ATOM 1184 O ALA A 79 4.396 25.969 9.370 1.00 7.46 O ATOM 1185 CB ALA A 79 1.605 25.797 7.370 1.00 6.90 C ATOM 0 H ALA A 79 2.029 23.427 6.872 1.00 5.86 H new ATOM 0 HA ALA A 79 3.704 25.640 6.991 1.00 6.63 H new ATOM 0 HB1 ALA A 79 1.650 26.853 7.636 1.00 6.90 H new ATOM 0 HB2 ALA A 79 1.345 25.699 6.316 1.00 6.90 H new ATOM 0 HB3 ALA A 79 0.848 25.302 7.978 1.00 6.90 H new ATOM 1191 N LYS A 80 2.588 24.779 9.980 1.00 7.55 N ATOM 1192 CA LYS A 80 2.907 24.814 11.397 1.00 8.34 C ATOM 1193 C LYS A 80 3.580 23.511 11.799 1.00 8.95 C ATOM 1194 O LYS A 80 3.129 22.427 11.423 1.00 9.25 O ATOM 1195 CB LYS A 80 1.646 25.062 12.229 1.00 8.77 C ATOM 1196 CG LYS A 80 1.035 26.435 11.997 1.00 9.05 C ATOM 1197 CD LYS A 80 2.013 27.542 12.361 1.00 9.51 C ATOM 1198 CE LYS A 80 1.455 28.923 12.052 1.00 10.08 C ATOM 1199 NZ LYS A 80 0.222 29.216 12.823 1.00 10.73 N ATOM 0 H LYS A 80 1.719 24.294 9.756 1.00 7.55 H new ATOM 0 HA LYS A 80 3.595 25.637 11.589 1.00 8.34 H new ATOM 0 HB2 LYS A 80 0.906 24.298 11.992 1.00 8.77 H new ATOM 0 HB3 LYS A 80 1.889 24.954 13.286 1.00 8.77 H new ATOM 0 HG2 LYS A 80 0.743 26.534 10.952 1.00 9.05 H new ATOM 0 HG3 LYS A 80 0.128 26.537 12.593 1.00 9.05 H new ATOM 0 HD2 LYS A 80 2.254 27.478 13.422 1.00 9.51 H new ATOM 0 HD3 LYS A 80 2.944 27.397 11.813 1.00 9.51 H new ATOM 0 HE2 LYS A 80 2.210 29.676 12.277 1.00 10.08 H new ATOM 0 HE3 LYS A 80 1.240 28.996 10.986 1.00 10.08 H new ATOM 0 HZ1 LYS A 80 -0.046 30.211 12.685 1.00 10.73 H new ATOM 0 HZ2 LYS A 80 -0.549 28.601 12.492 1.00 10.73 H new ATOM 0 HZ3 LYS A 80 0.395 29.041 13.834 1.00 10.73 H new ATOM 1213 N ASP A 81 4.652 23.620 12.563 1.00 9.36 N ATOM 1214 CA ASP A 81 5.481 22.472 12.878 1.00 10.16 C ATOM 1215 C ASP A 81 6.020 22.563 14.301 1.00 10.60 C ATOM 1216 O ASP A 81 6.685 23.536 14.666 1.00 11.03 O ATOM 1217 CB ASP A 81 6.641 22.386 11.879 1.00 10.60 C ATOM 1218 CG ASP A 81 7.574 21.225 12.151 1.00 11.07 C ATOM 1219 OD1 ASP A 81 7.242 20.079 11.768 1.00 11.19 O ATOM 1220 OD2 ASP A 81 8.640 21.446 12.760 1.00 11.50 O ATOM 0 H ASP A 81 4.969 24.496 12.978 1.00 9.36 H new ATOM 0 HA ASP A 81 4.871 21.572 12.805 1.00 10.16 H new ATOM 0 HB2 ASP A 81 6.238 22.292 10.871 1.00 10.60 H new ATOM 0 HB3 ASP A 81 7.209 23.316 11.910 1.00 10.60 H new ATOM 1225 N GLY A 82 5.711 21.552 15.102 1.00 10.72 N ATOM 1226 CA GLY A 82 6.202 21.497 16.462 1.00 11.37 C ATOM 1227 C GLY A 82 6.073 20.106 17.042 1.00 11.77 C ATOM 1228 O GLY A 82 6.933 19.713 17.854 1.00 12.00 O ATOM 1229 OXT GLY A 82 5.106 19.401 16.685 1.00 12.03 O ATOM 0 H GLY A 82 5.124 20.764 14.830 1.00 10.72 H new ATOM 0 HA2 GLY A 82 7.247 21.807 16.486 1.00 11.37 H new ATOM 0 HA3 GLY A 82 5.646 22.203 17.079 1.00 11.37 H new TER 1233 GLY A 82