USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1114 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: B 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 32 ASN : amide:sc= -0.47 K(o=-0.5,f=-9.4!) USER MOD Set 2.2: B 33 ASN : amide:sc= -0.0268 X(o=-0.5,f=-0.55) USER MOD Set 3.1: B 23 MET CE :methyl -98:sc= -0.994 (180deg=-2.4!) USER MOD Set 3.2: B 42 HIS : no HD1:sc= -1.68 K(o=-2.7,f=-5!) USER MOD Set 4.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 55 MET CE :methyl -175:sc= 0 (180deg=-0.00642) USER MOD Set 5.2: B 44 CYS SG : rot 80:sc= 0.261 USER MOD Set 5.3: B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 44 CYS SG : rot 83:sc= 0.0832 USER MOD Set 6.2: B 55 MET CE :methyl -171:sc= -0.161 (180deg=-0.303) USER MOD Set 7.1: A 23 MET CE :methyl 149:sc= -1.38 (180deg=-2.58!) USER MOD Set 7.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 7.3: A 42 HIS : no HD1:sc= -0.035 K(o=-1.4,f=-5.6!) USER MOD Single : A 3 SER OG : rot 37:sc= 0.265 USER MOD Single : A 4 LYS NZ :NH3+ -131:sc= -2.04 (180deg=-3.44!) USER MOD Single : A 9 GLN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 17 THR OG1 : rot 70:sc= 0.214 USER MOD Single : A 25 MET CE :methyl -173:sc= -0.443 (180deg=-0.541) USER MOD Single : A 26 SER OG : rot 180:sc= 4.2e-05 USER MOD Single : A 28 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= 0.0167 K(o=0.017,f=-8.4!) USER MOD Single : A 33 ASN : amide:sc= -0.0859 X(o=-0.086,f=-0.099) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 57 THR OG1 : rot 57:sc= -0.0995 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot -158:sc= 0.0352 USER MOD Single : B 4 LYS NZ :NH3+ 165:sc= 0.355! (180deg=0.22!) USER MOD Single : B 9 GLN : amide:sc= -1.25 X(o=-1.2,f=-0.98) USER MOD Single : B 16 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : B 17 THR OG1 : rot 73:sc= 0.858 USER MOD Single : B 25 MET CE :methyl -128:sc= -0.773 (180deg=-2.88!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 40 ASN : amide:sc= 0.0333 K(o=0.033,f=-0.84) USER MOD Single : B 46 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 8:sc= -0.892 USER MOD Single : B 57 THR OG1 : rot 170:sc= -0.821 USER MOD Single : B 64 SER OG : rot 180:sc= -0.0214 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 3 -16.770 -10.359 2.805 1.00 0.51 N ATOM 52 CA SER A 3 -17.567 -9.235 2.354 1.00 0.45 C ATOM 53 C SER A 3 -16.656 -8.086 1.931 1.00 0.34 C ATOM 54 O SER A 3 -15.467 -8.095 2.243 1.00 0.30 O ATOM 55 CB SER A 3 -18.505 -8.780 3.472 1.00 0.50 C ATOM 56 OG SER A 3 -19.156 -9.888 4.074 1.00 0.72 O ATOM 0 HA SER A 3 -18.165 -9.544 1.496 1.00 0.45 H new ATOM 0 HB2 SER A 3 -17.939 -8.233 4.226 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.248 -8.092 3.070 1.00 0.50 H new ATOM 0 HG SER A 3 -18.537 -10.647 4.118 1.00 0.72 H new ATOM 62 N LYS A 4 -17.201 -7.110 1.222 1.00 0.32 N ATOM 63 CA LYS A 4 -16.431 -5.939 0.802 1.00 0.28 C ATOM 64 C LYS A 4 -15.750 -5.267 2.000 1.00 0.22 C ATOM 65 O LYS A 4 -14.666 -4.697 1.875 1.00 0.22 O ATOM 66 CB LYS A 4 -17.360 -4.950 0.085 1.00 0.36 C ATOM 67 CG LYS A 4 -18.111 -5.569 -1.085 1.00 0.88 C ATOM 68 CD LYS A 4 -19.299 -4.724 -1.543 1.00 0.88 C ATOM 69 CE LYS A 4 -18.878 -3.388 -2.146 1.00 0.40 C ATOM 70 NZ LYS A 4 -18.698 -2.333 -1.112 1.00 1.69 N ATOM 0 H LYS A 4 -18.176 -7.101 0.922 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.647 -6.261 0.116 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -18.080 -4.554 0.801 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -16.772 -4.106 -0.275 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -17.424 -5.704 -1.920 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -18.465 -6.560 -0.800 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -19.875 -5.284 -2.280 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -19.958 -4.542 -0.694 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -17.946 -3.518 -2.696 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -19.630 -3.064 -2.866 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -19.207 -1.473 -1.401 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -19.075 -2.670 -0.203 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -17.686 -2.118 -1.008 1.00 1.69 H new ATOM 84 N LEU A 5 -16.396 -5.337 3.161 1.00 0.22 N ATOM 85 CA LEU A 5 -15.853 -4.757 4.381 1.00 0.22 C ATOM 86 C LEU A 5 -14.703 -5.588 4.924 1.00 0.22 C ATOM 87 O LEU A 5 -13.750 -5.044 5.471 1.00 0.24 O ATOM 88 CB LEU A 5 -16.953 -4.560 5.426 1.00 0.25 C ATOM 89 CG LEU A 5 -16.494 -4.061 6.795 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.510 -3.088 7.367 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.295 -5.225 7.756 1.00 0.34 C ATOM 0 H LEU A 5 -17.301 -5.793 3.280 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.450 -3.774 4.137 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.681 -3.853 5.029 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.471 -5.509 5.562 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.540 -3.549 6.668 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.171 -2.740 8.343 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.617 -2.237 6.695 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.472 -3.588 7.475 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -15.968 -4.846 8.724 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.235 -5.763 7.876 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.539 -5.901 7.357 1.00 0.34 H new ATOM 103 N ALA A 6 -14.794 -6.903 4.791 1.00 0.23 N ATOM 104 CA ALA A 6 -13.663 -7.759 5.118 1.00 0.24 C ATOM 105 C ALA A 6 -12.435 -7.293 4.349 1.00 0.22 C ATOM 106 O ALA A 6 -11.337 -7.226 4.897 1.00 0.24 O ATOM 107 CB ALA A 6 -13.973 -9.221 4.811 1.00 0.28 C ATOM 0 H ALA A 6 -15.626 -7.395 4.464 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.464 -7.686 6.187 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.110 -9.837 5.065 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -14.833 -9.542 5.398 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.197 -9.330 3.750 1.00 0.28 H new ATOM 113 N LEU A 7 -12.651 -6.914 3.091 1.00 0.20 N ATOM 114 CA LEU A 7 -11.580 -6.410 2.241 1.00 0.19 C ATOM 115 C LEU A 7 -11.067 -5.052 2.723 1.00 0.18 C ATOM 116 O LEU A 7 -9.869 -4.878 2.919 1.00 0.18 O ATOM 117 CB LEU A 7 -12.081 -6.270 0.799 1.00 0.20 C ATOM 118 CG LEU A 7 -12.114 -7.553 -0.046 1.00 0.23 C ATOM 119 CD1 LEU A 7 -12.860 -8.679 0.653 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.756 -7.263 -1.392 1.00 0.25 C ATOM 0 H LEU A 7 -13.564 -6.948 2.638 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.759 -7.126 2.289 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.088 -5.855 0.827 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.450 -5.542 0.289 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.085 -7.883 -0.189 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -12.858 -9.566 0.019 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.369 -8.908 1.599 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -13.888 -8.371 0.843 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.778 -8.175 -1.989 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.774 -6.904 -1.240 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.177 -6.501 -1.915 1.00 0.25 H new ATOM 132 N ILE A 8 -11.974 -4.094 2.930 1.00 0.17 N ATOM 133 CA ILE A 8 -11.576 -2.762 3.397 1.00 0.17 C ATOM 134 C ILE A 8 -10.884 -2.826 4.762 1.00 0.18 C ATOM 135 O ILE A 8 -9.949 -2.075 5.023 1.00 0.20 O ATOM 136 CB ILE A 8 -12.755 -1.744 3.411 1.00 0.18 C ATOM 137 CG1 ILE A 8 -13.957 -2.269 4.180 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.150 -1.362 1.996 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.004 -1.799 5.617 1.00 0.24 C ATOM 0 H ILE A 8 -12.977 -4.212 2.784 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.855 -2.391 2.669 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.404 -0.852 3.931 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.869 -1.954 3.673 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -13.942 -3.359 4.162 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -13.975 -0.650 2.028 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.298 -0.907 1.491 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.461 -2.254 1.452 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -14.887 -2.211 6.106 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.109 -2.136 6.140 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.050 -0.710 5.642 1.00 0.24 H new ATOM 151 N GLN A 9 -11.322 -3.741 5.616 1.00 0.19 N ATOM 152 CA GLN A 9 -10.711 -3.914 6.928 1.00 0.21 C ATOM 153 C GLN A 9 -9.326 -4.544 6.826 1.00 0.22 C ATOM 154 O GLN A 9 -8.418 -4.176 7.569 1.00 0.24 O ATOM 155 CB GLN A 9 -11.602 -4.769 7.831 1.00 0.22 C ATOM 156 CG GLN A 9 -12.738 -3.993 8.478 1.00 0.29 C ATOM 157 CD GLN A 9 -12.246 -2.997 9.512 1.00 0.90 C ATOM 158 OE1 GLN A 9 -11.213 -3.205 10.148 1.00 1.82 O ATOM 159 NE2 GLN A 9 -12.985 -1.914 9.696 1.00 1.37 N ATOM 0 H GLN A 9 -12.098 -4.375 5.425 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.602 -2.922 7.366 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -12.020 -5.587 7.245 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -10.989 -5.218 8.612 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.298 -3.464 7.707 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.428 -4.692 8.951 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -13.835 -1.778 9.149 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -12.704 -1.216 10.385 1.00 1.37 H new ATOM 168 N GLU A 10 -9.172 -5.513 5.935 1.00 0.21 N ATOM 169 CA GLU A 10 -7.892 -6.194 5.763 1.00 0.23 C ATOM 170 C GLU A 10 -6.892 -5.366 4.970 1.00 0.21 C ATOM 171 O GLU A 10 -5.698 -5.621 5.063 1.00 0.22 O ATOM 172 CB GLU A 10 -8.060 -7.586 5.143 1.00 0.25 C ATOM 173 CG GLU A 10 -8.498 -7.574 3.687 1.00 0.24 C ATOM 174 CD GLU A 10 -8.638 -8.967 3.107 1.00 0.39 C ATOM 175 OE1 GLU A 10 -7.604 -9.657 2.953 1.00 1.15 O ATOM 176 OE2 GLU A 10 -9.768 -9.373 2.781 1.00 1.11 O ATOM 0 H GLU A 10 -9.914 -5.846 5.320 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.484 -6.321 6.766 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.114 -8.122 5.221 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -8.792 -8.145 5.726 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.451 -7.052 3.603 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.774 -7.011 3.099 1.00 0.24 H new ATOM 183 N LEU A 11 -7.371 -4.414 4.163 1.00 0.18 N ATOM 184 CA LEU A 11 -6.480 -3.538 3.391 1.00 0.18 C ATOM 185 C LEU A 11 -5.293 -3.040 4.235 1.00 0.18 C ATOM 186 O LEU A 11 -4.148 -3.143 3.792 1.00 0.17 O ATOM 187 CB LEU A 11 -7.235 -2.340 2.798 1.00 0.19 C ATOM 188 CG LEU A 11 -8.337 -2.679 1.798 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.969 -1.410 1.257 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.795 -3.525 0.663 1.00 0.25 C ATOM 0 H LEU A 11 -8.365 -4.230 4.027 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.090 -4.142 2.572 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.676 -1.771 3.617 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.514 -1.687 2.307 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.102 -3.256 2.317 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.753 -1.669 0.545 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.400 -0.839 2.079 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -8.209 -0.809 0.757 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.599 -3.754 -0.036 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -7.008 -2.977 0.145 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.388 -4.453 1.064 1.00 0.25 H new ATOM 202 N PRO A 12 -5.532 -2.493 5.455 1.00 0.21 N ATOM 203 CA PRO A 12 -4.449 -2.109 6.365 1.00 0.25 C ATOM 204 C PRO A 12 -3.427 -3.221 6.598 1.00 0.26 C ATOM 205 O PRO A 12 -2.222 -2.988 6.535 1.00 0.28 O ATOM 206 CB PRO A 12 -5.175 -1.772 7.668 1.00 0.30 C ATOM 207 CG PRO A 12 -6.524 -1.329 7.235 1.00 0.27 C ATOM 208 CD PRO A 12 -6.855 -2.145 6.019 1.00 0.22 C ATOM 0 HA PRO A 12 -3.865 -1.285 5.954 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.234 -2.639 8.326 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.657 -0.988 8.220 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.259 -1.488 8.024 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.530 -0.264 7.004 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.426 -3.036 6.279 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.456 -1.578 5.308 1.00 0.22 H new ATOM 216 N ASP A 13 -3.907 -4.434 6.836 1.00 0.26 N ATOM 217 CA ASP A 13 -3.024 -5.558 7.130 1.00 0.29 C ATOM 218 C ASP A 13 -2.287 -5.999 5.873 1.00 0.25 C ATOM 219 O ASP A 13 -1.092 -6.289 5.910 1.00 0.26 O ATOM 220 CB ASP A 13 -3.815 -6.727 7.718 1.00 0.36 C ATOM 221 CG ASP A 13 -4.446 -6.390 9.052 1.00 0.98 C ATOM 222 OD1 ASP A 13 -3.704 -6.246 10.043 1.00 1.40 O ATOM 223 OD2 ASP A 13 -5.690 -6.275 9.117 1.00 1.86 O ATOM 0 H ASP A 13 -4.900 -4.666 6.832 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.291 -5.232 7.868 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.594 -7.023 7.016 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -3.153 -7.584 7.840 1.00 0.36 H new ATOM 228 N ARG A 14 -3.016 -6.044 4.764 1.00 0.22 N ATOM 229 CA ARG A 14 -2.434 -6.336 3.459 1.00 0.22 C ATOM 230 C ARG A 14 -1.304 -5.376 3.143 1.00 0.20 C ATOM 231 O ARG A 14 -0.271 -5.781 2.626 1.00 0.22 O ATOM 232 CB ARG A 14 -3.486 -6.232 2.357 1.00 0.28 C ATOM 233 CG ARG A 14 -4.426 -7.418 2.271 1.00 0.53 C ATOM 234 CD ARG A 14 -5.467 -7.192 1.190 1.00 0.50 C ATOM 235 NE ARG A 14 -6.349 -8.342 1.010 1.00 0.95 N ATOM 236 CZ ARG A 14 -6.671 -8.851 -0.175 1.00 0.72 C ATOM 237 NH1 ARG A 14 -6.101 -8.380 -1.278 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.548 -9.843 -0.256 1.00 1.15 N ATOM 0 H ARG A 14 -4.023 -5.880 4.743 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.047 -7.354 3.499 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.075 -5.329 2.518 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -2.980 -6.116 1.399 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.860 -8.324 2.055 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -4.918 -7.571 3.232 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -6.065 -6.317 1.444 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.965 -6.973 0.248 1.00 0.50 H new ATOM 0 HE ARG A 14 -6.741 -8.781 1.843 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -5.416 -7.627 -1.216 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -6.349 -8.771 -2.187 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -7.976 -10.216 0.591 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -7.794 -10.233 -1.166 1.00 1.15 H new ATOM 252 N ILE A 15 -1.509 -4.103 3.454 1.00 0.19 N ATOM 253 CA ILE A 15 -0.509 -3.087 3.180 1.00 0.20 C ATOM 254 C ILE A 15 0.657 -3.206 4.160 1.00 0.21 C ATOM 255 O ILE A 15 1.803 -2.914 3.814 1.00 0.21 O ATOM 256 CB ILE A 15 -1.125 -1.664 3.186 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.659 -0.892 1.947 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.795 -0.894 4.458 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.812 -0.524 1.955 1.00 0.25 C ATOM 0 H ILE A 15 -2.359 -3.752 3.896 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.120 -3.255 2.176 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.209 -1.772 3.159 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.866 -1.492 1.061 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.249 0.020 1.859 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.249 0.096 4.412 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.185 -1.433 5.321 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.286 -0.793 4.552 1.00 0.25 H new ATOM 0 HD11 ILE A 15 1.056 0.020 1.042 1.00 0.25 H new ATOM 0 HD12 ILE A 15 1.025 0.105 2.820 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.414 -1.431 2.009 1.00 0.25 H new ATOM 271 N GLN A 16 0.369 -3.650 5.378 1.00 0.23 N ATOM 272 CA GLN A 16 1.427 -3.983 6.318 1.00 0.26 C ATOM 273 C GLN A 16 2.269 -5.113 5.746 1.00 0.25 C ATOM 274 O GLN A 16 3.482 -5.131 5.895 1.00 0.29 O ATOM 275 CB GLN A 16 0.860 -4.376 7.684 1.00 0.33 C ATOM 276 CG GLN A 16 0.187 -3.225 8.412 1.00 0.78 C ATOM 277 CD GLN A 16 -0.169 -3.569 9.844 1.00 1.16 C ATOM 278 OE1 GLN A 16 -1.354 -4.117 10.049 1.00 1.70 O flip ATOM 279 NE2 GLN A 16 0.622 -3.346 10.761 1.00 1.91 N flip ATOM 0 H GLN A 16 -0.578 -3.786 5.733 1.00 0.23 H new ATOM 0 HA GLN A 16 2.050 -3.101 6.467 1.00 0.26 H new ATOM 0 HB2 GLN A 16 0.140 -5.183 7.551 1.00 0.33 H new ATOM 0 HB3 GLN A 16 1.666 -4.767 8.305 1.00 0.33 H new ATOM 0 HG2 GLN A 16 0.849 -2.359 8.404 1.00 0.78 H new ATOM 0 HG3 GLN A 16 -0.718 -2.940 7.875 1.00 0.78 H new ATOM 0 HE21 GLN A 16 1.528 -2.921 10.561 1.00 1.91 H new ATOM 0 HE22 GLN A 16 0.372 -3.586 11.720 1.00 1.91 H new ATOM 288 N THR A 17 1.614 -6.040 5.063 1.00 0.23 N ATOM 289 CA THR A 17 2.298 -7.119 4.369 1.00 0.25 C ATOM 290 C THR A 17 2.988 -6.603 3.105 1.00 0.22 C ATOM 291 O THR A 17 3.987 -7.164 2.652 1.00 0.27 O ATOM 292 CB THR A 17 1.309 -8.249 4.010 1.00 0.30 C ATOM 293 OG1 THR A 17 0.683 -8.744 5.201 1.00 0.38 O ATOM 294 CG2 THR A 17 1.998 -9.398 3.287 1.00 0.32 C ATOM 0 H THR A 17 0.598 -6.065 4.975 1.00 0.23 H new ATOM 0 HA THR A 17 3.059 -7.520 5.039 1.00 0.25 H new ATOM 0 HB THR A 17 0.560 -7.829 3.339 1.00 0.30 H new ATOM 0 HG1 THR A 17 0.075 -8.063 5.558 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.266 -10.171 3.053 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.446 -9.031 2.364 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.776 -9.816 3.926 1.00 0.32 H new ATOM 302 N ALA A 18 2.472 -5.517 2.557 1.00 0.22 N ATOM 303 CA ALA A 18 3.026 -4.943 1.351 1.00 0.23 C ATOM 304 C ALA A 18 4.400 -4.381 1.646 1.00 0.24 C ATOM 305 O ALA A 18 5.291 -4.421 0.808 1.00 0.29 O ATOM 306 CB ALA A 18 2.112 -3.861 0.798 1.00 0.26 C ATOM 0 H ALA A 18 1.667 -5.016 2.932 1.00 0.22 H new ATOM 0 HA ALA A 18 3.113 -5.723 0.595 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.549 -3.444 -0.109 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.138 -4.291 0.566 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.993 -3.071 1.540 1.00 0.26 H new ATOM 312 N VAL A 19 4.564 -3.875 2.859 1.00 0.24 N ATOM 313 CA VAL A 19 5.800 -3.214 3.220 1.00 0.29 C ATOM 314 C VAL A 19 6.589 -3.916 4.328 1.00 0.23 C ATOM 315 O VAL A 19 7.688 -3.478 4.647 1.00 0.27 O ATOM 316 CB VAL A 19 5.542 -1.759 3.645 1.00 0.49 C ATOM 317 CG1 VAL A 19 4.788 -1.005 2.561 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.791 -1.710 4.962 1.00 1.77 C ATOM 0 H VAL A 19 3.863 -3.910 3.599 1.00 0.24 H new ATOM 0 HA VAL A 19 6.409 -3.251 2.317 1.00 0.29 H new ATOM 0 HB VAL A 19 6.506 -1.270 3.787 1.00 0.49 H new ATOM 0 HG11 VAL A 19 4.617 0.022 2.884 1.00 1.09 H new ATOM 0 HG12 VAL A 19 5.376 -1.004 1.643 1.00 1.09 H new ATOM 0 HG13 VAL A 19 3.830 -1.492 2.378 1.00 1.09 H new ATOM 0 HG21 VAL A 19 4.619 -0.671 5.244 1.00 1.77 H new ATOM 0 HG22 VAL A 19 3.834 -2.220 4.854 1.00 1.77 H new ATOM 0 HG23 VAL A 19 5.380 -2.203 5.735 1.00 1.77 H new ATOM 328 N GLU A 20 6.056 -4.991 4.908 1.00 0.22 N ATOM 329 CA GLU A 20 6.745 -5.674 6.013 1.00 0.25 C ATOM 330 C GLU A 20 8.132 -6.139 5.583 1.00 0.26 C ATOM 331 O GLU A 20 9.086 -6.105 6.362 1.00 0.30 O ATOM 332 CB GLU A 20 5.907 -6.847 6.563 1.00 0.28 C ATOM 333 CG GLU A 20 5.499 -7.904 5.541 1.00 0.30 C ATOM 334 CD GLU A 20 6.590 -8.916 5.248 1.00 0.96 C ATOM 335 OE1 GLU A 20 7.243 -9.383 6.202 1.00 1.93 O ATOM 336 OE2 GLU A 20 6.807 -9.240 4.059 1.00 1.32 O ATOM 0 H GLU A 20 5.164 -5.406 4.640 1.00 0.22 H new ATOM 0 HA GLU A 20 6.867 -4.955 6.823 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.474 -7.334 7.356 1.00 0.28 H new ATOM 0 HB3 GLU A 20 5.004 -6.442 7.020 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.616 -8.429 5.906 1.00 0.30 H new ATOM 0 HG3 GLU A 20 5.215 -7.409 4.612 1.00 0.30 H new ATOM 343 N ALA A 21 8.218 -6.565 4.335 1.00 0.28 N ATOM 344 CA ALA A 21 9.482 -6.948 3.732 1.00 0.32 C ATOM 345 C ALA A 21 10.483 -5.800 3.803 1.00 0.30 C ATOM 346 O ALA A 21 11.608 -5.970 4.265 1.00 0.31 O ATOM 347 CB ALA A 21 9.261 -7.369 2.292 1.00 0.40 C ATOM 0 H ALA A 21 7.415 -6.655 3.712 1.00 0.28 H new ATOM 0 HA ALA A 21 9.892 -7.791 4.288 1.00 0.32 H new ATOM 0 HB1 ALA A 21 10.214 -7.655 1.846 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.577 -8.217 2.262 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.833 -6.538 1.732 1.00 0.40 H new ATOM 353 N ALA A 22 10.059 -4.631 3.350 1.00 0.28 N ATOM 354 CA ALA A 22 10.916 -3.454 3.330 1.00 0.29 C ATOM 355 C ALA A 22 11.123 -2.874 4.732 1.00 0.31 C ATOM 356 O ALA A 22 12.171 -2.295 5.025 1.00 0.35 O ATOM 357 CB ALA A 22 10.347 -2.414 2.387 1.00 0.30 C ATOM 0 H ALA A 22 9.119 -4.471 2.988 1.00 0.28 H new ATOM 0 HA ALA A 22 11.898 -3.758 2.967 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.995 -1.537 2.379 1.00 0.30 H new ATOM 0 HB2 ALA A 22 10.286 -2.830 1.381 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.351 -2.126 2.722 1.00 0.30 H new ATOM 363 N MET A 23 10.115 -2.997 5.587 1.00 0.30 N ATOM 364 CA MET A 23 10.236 -2.545 6.971 1.00 0.35 C ATOM 365 C MET A 23 11.253 -3.396 7.708 1.00 0.40 C ATOM 366 O MET A 23 12.122 -2.876 8.406 1.00 0.46 O ATOM 367 CB MET A 23 8.894 -2.600 7.704 1.00 0.33 C ATOM 368 CG MET A 23 7.871 -1.595 7.208 1.00 0.38 C ATOM 369 SD MET A 23 8.486 0.099 7.198 1.00 0.72 S ATOM 370 CE MET A 23 8.699 0.343 5.441 1.00 0.53 C ATOM 0 H MET A 23 9.210 -3.403 5.350 1.00 0.30 H new ATOM 0 HA MET A 23 10.568 -1.507 6.951 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.479 -3.603 7.604 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.066 -2.431 8.767 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.562 -1.868 6.199 1.00 0.38 H new ATOM 0 HG3 MET A 23 6.983 -1.649 7.838 1.00 0.38 H new ATOM 0 HE1 MET A 23 8.533 1.392 5.197 1.00 0.53 H new ATOM 0 HE2 MET A 23 9.712 0.060 5.154 1.00 0.53 H new ATOM 0 HE3 MET A 23 7.983 -0.274 4.899 1.00 0.53 H new ATOM 380 N GLY A 24 11.149 -4.704 7.533 1.00 0.40 N ATOM 381 CA GLY A 24 12.104 -5.613 8.126 1.00 0.48 C ATOM 382 C GLY A 24 13.292 -5.854 7.218 1.00 0.46 C ATOM 383 O GLY A 24 13.964 -6.883 7.322 1.00 0.57 O ATOM 0 H GLY A 24 10.414 -5.154 6.987 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.450 -5.207 9.077 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.615 -6.562 8.344 1.00 0.48 H new ATOM 387 N MET A 25 13.542 -4.912 6.316 1.00 0.44 N ATOM 388 CA MET A 25 14.683 -4.998 5.422 1.00 0.46 C ATOM 389 C MET A 25 15.956 -4.734 6.202 1.00 0.48 C ATOM 390 O MET A 25 15.942 -3.996 7.189 1.00 0.57 O ATOM 391 CB MET A 25 14.573 -3.987 4.277 1.00 0.56 C ATOM 392 CG MET A 25 15.679 -4.113 3.240 1.00 0.53 C ATOM 393 SD MET A 25 16.054 -2.563 2.407 1.00 1.04 S ATOM 394 CE MET A 25 14.505 -2.259 1.580 1.00 0.76 C ATOM 0 H MET A 25 12.967 -4.080 6.187 1.00 0.44 H new ATOM 0 HA MET A 25 14.703 -6.000 4.993 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.609 -4.113 3.784 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.589 -2.979 4.692 1.00 0.56 H new ATOM 0 HG2 MET A 25 16.582 -4.484 3.725 1.00 0.53 H new ATOM 0 HG3 MET A 25 15.388 -4.856 2.497 1.00 0.53 H new ATOM 0 HE1 MET A 25 14.609 -1.399 0.918 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.227 -3.136 0.995 1.00 0.76 H new ATOM 0 HE3 MET A 25 13.731 -2.056 2.320 1.00 0.76 H new ATOM 404 N SER A 26 17.044 -5.334 5.773 1.00 0.54 N ATOM 405 CA SER A 26 18.314 -5.134 6.428 1.00 0.65 C ATOM 406 C SER A 26 18.798 -3.701 6.247 1.00 0.79 C ATOM 407 O SER A 26 18.754 -2.900 7.182 1.00 1.68 O ATOM 408 CB SER A 26 19.333 -6.125 5.876 1.00 0.79 C ATOM 409 OG SER A 26 18.776 -7.426 5.787 1.00 1.67 O ATOM 0 H SER A 26 17.073 -5.965 4.972 1.00 0.54 H new ATOM 0 HA SER A 26 18.193 -5.308 7.497 1.00 0.65 H new ATOM 0 HB2 SER A 26 19.666 -5.799 4.891 1.00 0.79 H new ATOM 0 HB3 SER A 26 20.213 -6.145 6.519 1.00 0.79 H new ATOM 0 HG SER A 26 19.446 -8.045 5.429 1.00 1.67 H new ATOM 415 N TYR A 27 19.284 -3.416 5.041 1.00 0.54 N ATOM 416 CA TYR A 27 19.725 -2.083 4.602 1.00 0.44 C ATOM 417 C TYR A 27 20.812 -1.462 5.497 1.00 0.43 C ATOM 418 O TYR A 27 21.312 -0.386 5.193 1.00 0.40 O ATOM 419 CB TYR A 27 18.531 -1.119 4.381 1.00 0.40 C ATOM 420 CG TYR A 27 17.888 -0.542 5.629 1.00 0.38 C ATOM 421 CD1 TYR A 27 18.478 0.520 6.293 1.00 1.19 C ATOM 422 CD2 TYR A 27 16.696 -1.051 6.138 1.00 1.31 C ATOM 423 CE1 TYR A 27 17.917 1.062 7.429 1.00 1.24 C ATOM 424 CE2 TYR A 27 16.127 -0.519 7.275 1.00 1.32 C ATOM 425 CZ TYR A 27 16.740 0.538 7.921 1.00 0.50 C ATOM 426 OH TYR A 27 16.170 1.071 9.053 1.00 0.61 O ATOM 0 H TYR A 27 19.387 -4.125 4.315 1.00 0.54 H new ATOM 0 HA TYR A 27 20.202 -2.239 3.634 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.871 -0.291 3.758 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.764 -1.649 3.816 1.00 0.40 H new ATOM 0 HD1 TYR A 27 19.400 0.934 5.912 1.00 1.19 H new ATOM 0 HD2 TYR A 27 16.211 -1.874 5.635 1.00 1.31 H new ATOM 0 HE1 TYR A 27 18.395 1.891 7.930 1.00 1.24 H new ATOM 0 HE2 TYR A 27 15.204 -0.927 7.660 1.00 1.32 H new ATOM 0 HH TYR A 27 15.345 0.586 9.263 1.00 0.61 H new ATOM 436 N GLN A 28 21.209 -2.144 6.570 1.00 0.55 N ATOM 437 CA GLN A 28 22.329 -1.682 7.384 1.00 0.63 C ATOM 438 C GLN A 28 23.631 -1.992 6.662 1.00 0.66 C ATOM 439 O GLN A 28 24.681 -1.426 6.965 1.00 0.77 O ATOM 440 CB GLN A 28 22.324 -2.331 8.770 1.00 0.74 C ATOM 441 CG GLN A 28 22.563 -3.829 8.750 1.00 1.35 C ATOM 442 CD GLN A 28 22.745 -4.404 10.143 1.00 1.68 C ATOM 443 OE1 GLN A 28 23.212 -3.718 11.053 1.00 2.31 O ATOM 444 NE2 GLN A 28 22.393 -5.668 10.319 1.00 1.92 N ATOM 0 H GLN A 28 20.776 -3.009 6.893 1.00 0.55 H new ATOM 0 HA GLN A 28 22.232 -0.606 7.528 1.00 0.63 H new ATOM 0 HB2 GLN A 28 23.091 -1.859 9.384 1.00 0.74 H new ATOM 0 HB3 GLN A 28 21.365 -2.133 9.250 1.00 0.74 H new ATOM 0 HG2 GLN A 28 21.721 -4.322 8.263 1.00 1.35 H new ATOM 0 HG3 GLN A 28 23.448 -4.045 8.152 1.00 1.35 H new ATOM 0 HE21 GLN A 28 22.010 -6.204 9.540 1.00 1.92 H new ATOM 0 HE22 GLN A 28 22.505 -6.106 11.233 1.00 1.92 H new ATOM 453 N ASP A 29 23.534 -2.904 5.700 1.00 0.68 N ATOM 454 CA ASP A 29 24.626 -3.207 4.785 1.00 0.81 C ATOM 455 C ASP A 29 24.944 -1.981 3.945 1.00 0.70 C ATOM 456 O ASP A 29 26.046 -1.831 3.416 1.00 0.86 O ATOM 457 CB ASP A 29 24.234 -4.376 3.878 1.00 0.95 C ATOM 458 CG ASP A 29 22.891 -4.156 3.202 1.00 1.66 C ATOM 459 OD1 ASP A 29 21.847 -4.351 3.864 1.00 2.31 O ATOM 460 OD2 ASP A 29 22.865 -3.773 2.016 1.00 2.34 O ATOM 0 H ASP A 29 22.692 -3.455 5.533 1.00 0.68 H new ATOM 0 HA ASP A 29 25.510 -3.486 5.359 1.00 0.81 H new ATOM 0 HB2 ASP A 29 25.002 -4.517 3.118 1.00 0.95 H new ATOM 0 HB3 ASP A 29 24.196 -5.293 4.466 1.00 0.95 H new ATOM 465 N ALA A 30 23.961 -1.102 3.845 1.00 0.55 N ATOM 466 CA ALA A 30 24.107 0.147 3.140 1.00 0.48 C ATOM 467 C ALA A 30 24.551 1.230 4.120 1.00 0.44 C ATOM 468 O ALA A 30 24.016 1.316 5.224 1.00 0.47 O ATOM 469 CB ALA A 30 22.784 0.513 2.484 1.00 0.47 C ATOM 0 H ALA A 30 23.037 -1.241 4.255 1.00 0.55 H new ATOM 0 HA ALA A 30 24.864 0.054 2.361 1.00 0.48 H new ATOM 0 HB1 ALA A 30 22.892 1.457 1.950 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.497 -0.270 1.782 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.014 0.614 3.249 1.00 0.47 H new ATOM 475 N PRO A 31 25.575 2.024 3.747 1.00 0.45 N ATOM 476 CA PRO A 31 26.062 3.143 4.556 1.00 0.48 C ATOM 477 C PRO A 31 24.951 4.036 5.086 1.00 0.41 C ATOM 478 O PRO A 31 23.842 4.053 4.556 1.00 0.34 O ATOM 479 CB PRO A 31 26.927 3.960 3.605 1.00 0.57 C ATOM 480 CG PRO A 31 27.209 3.096 2.421 1.00 0.56 C ATOM 481 CD PRO A 31 26.365 1.850 2.526 1.00 0.50 C ATOM 0 HA PRO A 31 26.586 2.763 5.433 1.00 0.48 H new ATOM 0 HB2 PRO A 31 26.413 4.872 3.303 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.854 4.263 4.091 1.00 0.57 H new ATOM 0 HG2 PRO A 31 26.982 3.631 1.499 1.00 0.56 H new ATOM 0 HG3 PRO A 31 28.267 2.835 2.386 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.722 1.735 1.654 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.987 0.957 2.583 1.00 0.50 H new ATOM 489 N ASN A 32 25.292 4.811 6.096 1.00 0.45 N ATOM 490 CA ASN A 32 24.334 5.619 6.839 1.00 0.41 C ATOM 491 C ASN A 32 23.366 6.405 5.950 1.00 0.38 C ATOM 492 O ASN A 32 22.157 6.303 6.128 1.00 0.37 O ATOM 493 CB ASN A 32 25.076 6.563 7.794 1.00 0.50 C ATOM 494 CG ASN A 32 26.280 7.257 7.165 1.00 1.48 C ATOM 495 OD1 ASN A 32 26.319 7.513 5.960 1.00 2.40 O ATOM 496 ND2 ASN A 32 27.281 7.557 7.978 1.00 1.87 N ATOM 0 H ASN A 32 26.251 4.901 6.431 1.00 0.45 H new ATOM 0 HA ASN A 32 23.717 4.923 7.407 1.00 0.41 H new ATOM 0 HB2 ASN A 32 24.380 7.320 8.154 1.00 0.50 H new ATOM 0 HB3 ASN A 32 25.409 5.996 8.664 1.00 0.50 H new ATOM 0 HD21 ASN A 32 28.116 8.014 7.612 1.00 1.87 H new ATOM 0 HD22 ASN A 32 27.217 7.331 8.971 1.00 1.87 H new ATOM 503 N ASN A 33 23.868 7.168 4.993 1.00 0.42 N ATOM 504 CA ASN A 33 22.994 8.027 4.197 1.00 0.45 C ATOM 505 C ASN A 33 22.139 7.225 3.218 1.00 0.41 C ATOM 506 O ASN A 33 20.985 7.567 2.988 1.00 0.40 O ATOM 507 CB ASN A 33 23.790 9.099 3.455 1.00 0.58 C ATOM 508 CG ASN A 33 24.639 8.546 2.324 1.00 1.43 C ATOM 509 OD1 ASN A 33 25.757 8.086 2.545 1.00 2.14 O ATOM 510 ND2 ASN A 33 24.128 8.598 1.104 1.00 2.17 N ATOM 0 H ASN A 33 24.857 7.214 4.748 1.00 0.42 H new ATOM 0 HA ASN A 33 22.321 8.522 4.897 1.00 0.45 H new ATOM 0 HB2 ASN A 33 23.099 9.840 3.052 1.00 0.58 H new ATOM 0 HB3 ASN A 33 24.436 9.617 4.164 1.00 0.58 H new ATOM 0 HD21 ASN A 33 24.666 8.249 0.311 1.00 2.17 H new ATOM 0 HD22 ASN A 33 23.196 8.987 0.957 1.00 2.17 H new ATOM 517 N VAL A 34 22.687 6.156 2.654 1.00 0.42 N ATOM 518 CA VAL A 34 21.904 5.329 1.741 1.00 0.46 C ATOM 519 C VAL A 34 20.867 4.517 2.513 1.00 0.39 C ATOM 520 O VAL A 34 19.753 4.318 2.038 1.00 0.39 O ATOM 521 CB VAL A 34 22.749 4.437 0.814 1.00 0.60 C ATOM 522 CG1 VAL A 34 23.389 5.270 -0.284 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.809 3.704 1.583 1.00 0.61 C ATOM 0 H VAL A 34 23.647 5.845 2.806 1.00 0.42 H new ATOM 0 HA VAL A 34 21.390 6.019 1.072 1.00 0.46 H new ATOM 0 HB VAL A 34 22.083 3.701 0.363 1.00 0.60 H new ATOM 0 HG11 VAL A 34 23.983 4.625 -0.931 1.00 1.39 H new ATOM 0 HG12 VAL A 34 22.611 5.756 -0.872 1.00 1.39 H new ATOM 0 HG13 VAL A 34 24.033 6.028 0.163 1.00 1.39 H new ATOM 0 HG21 VAL A 34 24.389 3.082 0.901 1.00 0.61 H new ATOM 0 HG22 VAL A 34 24.469 4.423 2.069 1.00 0.61 H new ATOM 0 HG23 VAL A 34 23.340 3.074 2.338 1.00 0.61 H new ATOM 533 N ARG A 35 21.225 4.045 3.709 1.00 0.37 N ATOM 534 CA ARG A 35 20.240 3.406 4.576 1.00 0.37 C ATOM 535 C ARG A 35 19.235 4.431 5.068 1.00 0.32 C ATOM 536 O ARG A 35 18.087 4.103 5.312 1.00 0.36 O ATOM 537 CB ARG A 35 20.859 2.623 5.742 1.00 0.42 C ATOM 538 CG ARG A 35 21.806 3.377 6.652 1.00 0.40 C ATOM 539 CD ARG A 35 22.346 2.447 7.732 1.00 0.50 C ATOM 540 NE ARG A 35 23.389 3.064 8.550 1.00 1.03 N ATOM 541 CZ ARG A 35 24.632 2.585 8.645 1.00 1.33 C ATOM 542 NH1 ARG A 35 25.000 1.530 7.925 1.00 1.61 N ATOM 543 NH2 ARG A 35 25.512 3.171 9.447 1.00 2.14 N ATOM 0 H ARG A 35 22.170 4.092 4.091 1.00 0.37 H new ATOM 0 HA ARG A 35 19.726 2.660 3.970 1.00 0.37 H new ATOM 0 HB2 ARG A 35 20.047 2.226 6.352 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.395 1.768 5.329 1.00 0.42 H new ATOM 0 HG2 ARG A 35 22.631 3.789 6.070 1.00 0.40 H new ATOM 0 HG3 ARG A 35 21.288 4.219 7.112 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.525 2.133 8.377 1.00 0.50 H new ATOM 0 HD3 ARG A 35 22.745 1.548 7.263 1.00 0.50 H new ATOM 0 HE ARG A 35 23.155 3.906 9.076 1.00 1.03 H new ATOM 0 HH11 ARG A 35 24.332 1.083 7.297 1.00 1.61 H new ATOM 0 HH12 ARG A 35 25.950 1.167 8.001 1.00 1.61 H new ATOM 0 HH21 ARG A 35 25.240 3.989 9.992 1.00 2.14 H new ATOM 0 HH22 ARG A 35 26.461 2.804 9.518 1.00 2.14 H new ATOM 557 N ARG A 36 19.686 5.664 5.251 1.00 0.29 N ATOM 558 CA ARG A 36 18.788 6.800 5.462 1.00 0.29 C ATOM 559 C ARG A 36 17.826 6.967 4.290 1.00 0.28 C ATOM 560 O ARG A 36 16.718 7.457 4.455 1.00 0.29 O ATOM 561 CB ARG A 36 19.547 8.100 5.692 1.00 0.33 C ATOM 562 CG ARG A 36 19.834 8.426 7.154 1.00 0.45 C ATOM 563 CD ARG A 36 20.025 7.189 8.014 1.00 0.75 C ATOM 564 NE ARG A 36 18.772 6.694 8.585 1.00 1.43 N ATOM 565 CZ ARG A 36 18.693 5.636 9.390 1.00 2.20 C ATOM 566 NH1 ARG A 36 19.792 4.976 9.733 1.00 2.57 N ATOM 567 NH2 ARG A 36 17.518 5.250 9.865 1.00 3.03 N ATOM 0 H ARG A 36 20.676 5.908 5.258 1.00 0.29 H new ATOM 0 HA ARG A 36 18.218 6.579 6.364 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.493 8.051 5.153 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.975 8.920 5.258 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.730 9.044 7.213 1.00 0.45 H new ATOM 0 HG3 ARG A 36 19.012 9.017 7.556 1.00 0.45 H new ATOM 0 HD2 ARG A 36 20.481 6.402 7.413 1.00 0.75 H new ATOM 0 HD3 ARG A 36 20.721 7.418 8.821 1.00 0.75 H new ATOM 0 HE ARG A 36 17.910 7.187 8.353 1.00 1.43 H new ATOM 0 HH11 ARG A 36 20.700 5.279 9.380 1.00 2.57 H new ATOM 0 HH12 ARG A 36 19.729 4.166 10.350 1.00 2.57 H new ATOM 0 HH21 ARG A 36 16.673 5.763 9.614 1.00 3.03 H new ATOM 0 HH22 ARG A 36 17.458 4.440 10.481 1.00 3.03 H new ATOM 581 N ASP A 37 18.274 6.654 3.090 1.00 0.30 N ATOM 582 CA ASP A 37 17.372 6.660 1.942 1.00 0.30 C ATOM 583 C ASP A 37 16.289 5.604 2.135 1.00 0.25 C ATOM 584 O ASP A 37 15.135 5.799 1.750 1.00 0.24 O ATOM 585 CB ASP A 37 18.132 6.452 0.632 1.00 0.37 C ATOM 586 CG ASP A 37 18.586 7.767 0.034 1.00 0.67 C ATOM 587 OD1 ASP A 37 19.525 8.379 0.580 1.00 1.19 O ATOM 588 OD2 ASP A 37 17.990 8.210 -0.968 1.00 1.31 O ATOM 0 H ASP A 37 19.238 6.396 2.880 1.00 0.30 H new ATOM 0 HA ASP A 37 16.896 7.639 1.876 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.998 5.815 0.811 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.494 5.929 -0.080 1.00 0.37 H new ATOM 593 N LEU A 38 16.660 4.496 2.769 1.00 0.24 N ATOM 594 CA LEU A 38 15.676 3.521 3.230 1.00 0.22 C ATOM 595 C LEU A 38 14.923 4.068 4.437 1.00 0.23 C ATOM 596 O LEU A 38 13.817 3.637 4.723 1.00 0.24 O ATOM 597 CB LEU A 38 16.296 2.162 3.589 1.00 0.29 C ATOM 598 CG LEU A 38 16.767 1.304 2.412 1.00 0.30 C ATOM 599 CD1 LEU A 38 15.804 1.408 1.246 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.164 1.682 1.992 1.00 0.47 C ATOM 0 H LEU A 38 17.629 4.251 2.975 1.00 0.24 H new ATOM 0 HA LEU A 38 14.992 3.354 2.398 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.146 2.336 4.248 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.563 1.590 4.159 1.00 0.29 H new ATOM 0 HG LEU A 38 16.786 0.265 2.741 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.161 0.789 0.423 1.00 0.64 H new ATOM 0 HD12 LEU A 38 14.818 1.064 1.557 1.00 0.64 H new ATOM 0 HD13 LEU A 38 15.740 2.446 0.919 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.474 1.057 1.154 1.00 0.47 H new ATOM 0 HD22 LEU A 38 18.182 2.729 1.690 1.00 0.47 H new ATOM 0 HD23 LEU A 38 18.848 1.534 2.828 1.00 0.47 H new ATOM 612 N ASP A 39 15.559 4.974 5.177 1.00 0.25 N ATOM 613 CA ASP A 39 14.903 5.686 6.272 1.00 0.28 C ATOM 614 C ASP A 39 13.746 6.509 5.716 1.00 0.28 C ATOM 615 O ASP A 39 12.674 6.583 6.312 1.00 0.32 O ATOM 616 CB ASP A 39 15.895 6.579 7.017 1.00 0.32 C ATOM 617 CG ASP A 39 15.283 7.306 8.195 1.00 0.71 C ATOM 618 OD1 ASP A 39 15.267 6.728 9.301 1.00 1.59 O ATOM 619 OD2 ASP A 39 14.853 8.467 8.034 1.00 1.33 O ATOM 0 H ASP A 39 16.535 5.234 5.037 1.00 0.25 H new ATOM 0 HA ASP A 39 14.516 4.960 6.987 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.728 5.970 7.368 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.307 7.311 6.322 1.00 0.32 H new ATOM 624 N ASN A 40 13.975 7.105 4.548 1.00 0.26 N ATOM 625 CA ASN A 40 12.930 7.812 3.809 1.00 0.26 C ATOM 626 C ASN A 40 11.859 6.830 3.364 1.00 0.23 C ATOM 627 O ASN A 40 10.664 7.085 3.525 1.00 0.25 O ATOM 628 CB ASN A 40 13.513 8.527 2.583 1.00 0.28 C ATOM 629 CG ASN A 40 14.468 9.648 2.953 1.00 0.68 C ATOM 630 OD1 ASN A 40 14.341 10.265 4.009 1.00 1.13 O ATOM 631 ND2 ASN A 40 15.431 9.922 2.083 1.00 1.22 N ATOM 0 H ASN A 40 14.886 7.112 4.088 1.00 0.26 H new ATOM 0 HA ASN A 40 12.491 8.560 4.470 1.00 0.26 H new ATOM 0 HB2 ASN A 40 14.036 7.802 1.960 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.698 8.933 1.984 1.00 0.28 H new ATOM 0 HD21 ASN A 40 16.099 10.667 2.280 1.00 1.22 H new ATOM 0 HD22 ASN A 40 15.504 9.387 1.217 1.00 1.22 H new ATOM 638 N LEU A 41 12.300 5.702 2.813 1.00 0.21 N ATOM 639 CA LEU A 41 11.396 4.632 2.405 1.00 0.21 C ATOM 640 C LEU A 41 10.564 4.170 3.599 1.00 0.22 C ATOM 641 O LEU A 41 9.375 3.907 3.479 1.00 0.24 O ATOM 642 CB LEU A 41 12.186 3.452 1.834 1.00 0.21 C ATOM 643 CG LEU A 41 11.333 2.368 1.176 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.641 2.919 -0.062 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.182 1.160 0.822 1.00 1.20 C ATOM 0 H LEU A 41 13.285 5.505 2.638 1.00 0.21 H new ATOM 0 HA LEU A 41 10.731 5.015 1.630 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.897 3.830 1.100 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.767 2.999 2.637 1.00 0.21 H new ATOM 0 HG LEU A 41 10.570 2.050 1.886 1.00 0.58 H new ATOM 0 HD11 LEU A 41 10.037 2.136 -0.520 1.00 0.39 H new ATOM 0 HD12 LEU A 41 9.999 3.753 0.221 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.390 3.263 -0.775 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.556 0.400 0.355 1.00 1.20 H new ATOM 0 HD22 LEU A 41 12.969 1.459 0.129 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.632 0.753 1.728 1.00 1.20 H new ATOM 657 N HIS A 42 11.206 4.104 4.755 1.00 0.27 N ATOM 658 CA HIS A 42 10.551 3.677 5.979 1.00 0.35 C ATOM 659 C HIS A 42 9.549 4.703 6.445 1.00 0.39 C ATOM 660 O HIS A 42 8.382 4.391 6.596 1.00 0.47 O ATOM 661 CB HIS A 42 11.580 3.409 7.083 1.00 0.40 C ATOM 662 CG HIS A 42 12.053 1.997 7.092 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.595 1.377 8.194 1.00 1.01 N ATOM 664 CD2 HIS A 42 12.053 1.081 6.107 1.00 0.94 C ATOM 665 CE1 HIS A 42 12.913 0.135 7.883 1.00 1.19 C ATOM 666 NE2 HIS A 42 12.595 -0.069 6.618 1.00 1.15 N ATOM 0 H HIS A 42 12.191 4.344 4.870 1.00 0.27 H new ATOM 0 HA HIS A 42 10.020 2.750 5.763 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.433 4.074 6.949 1.00 0.40 H new ATOM 0 HB3 HIS A 42 11.140 3.647 8.051 1.00 0.40 H new ATOM 0 HD2 HIS A 42 11.692 1.225 5.099 1.00 0.94 H new ATOM 0 HE1 HIS A 42 13.357 -0.590 8.549 1.00 1.19 H new ATOM 0 HE2 HIS A 42 12.731 -0.940 6.105 1.00 1.15 H new ATOM 675 N ALA A 43 9.997 5.931 6.629 1.00 0.42 N ATOM 676 CA ALA A 43 9.129 6.980 7.132 1.00 0.49 C ATOM 677 C ALA A 43 7.945 7.201 6.201 1.00 0.48 C ATOM 678 O ALA A 43 6.798 7.241 6.643 1.00 0.51 O ATOM 679 CB ALA A 43 9.908 8.273 7.312 1.00 0.56 C ATOM 0 H ALA A 43 10.954 6.226 6.438 1.00 0.42 H new ATOM 0 HA ALA A 43 8.745 6.665 8.102 1.00 0.49 H new ATOM 0 HB1 ALA A 43 9.242 9.049 7.690 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.719 8.113 8.022 1.00 0.56 H new ATOM 0 HB3 ALA A 43 10.322 8.585 6.353 1.00 0.56 H new ATOM 685 N CYS A 44 8.227 7.332 4.911 1.00 0.44 N ATOM 686 CA CYS A 44 7.189 7.631 3.937 1.00 0.46 C ATOM 687 C CYS A 44 6.261 6.448 3.662 1.00 0.42 C ATOM 688 O CYS A 44 5.070 6.648 3.469 1.00 0.43 O ATOM 689 CB CYS A 44 7.786 8.134 2.631 1.00 0.47 C ATOM 690 SG CYS A 44 8.850 9.588 2.815 1.00 1.61 S ATOM 0 H CYS A 44 9.163 7.236 4.517 1.00 0.44 H new ATOM 0 HA CYS A 44 6.583 8.419 4.385 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.364 7.330 2.175 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.976 8.375 1.943 1.00 0.47 H new ATOM 0 HG CYS A 44 10.045 9.210 3.162 1.00 1.61 H new ATOM 696 N LEU A 45 6.788 5.222 3.617 1.00 0.39 N ATOM 697 CA LEU A 45 5.936 4.068 3.312 1.00 0.38 C ATOM 698 C LEU A 45 5.284 3.510 4.563 1.00 0.36 C ATOM 699 O LEU A 45 4.256 2.839 4.493 1.00 0.35 O ATOM 700 CB LEU A 45 6.688 2.962 2.577 1.00 0.39 C ATOM 701 CG LEU A 45 7.067 3.280 1.131 1.00 0.95 C ATOM 702 CD1 LEU A 45 7.168 1.997 0.331 1.00 0.69 C ATOM 703 CD2 LEU A 45 6.056 4.224 0.495 1.00 1.87 C ATOM 0 H LEU A 45 7.771 5.004 3.782 1.00 0.39 H new ATOM 0 HA LEU A 45 5.157 4.438 2.645 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.598 2.733 3.132 1.00 0.39 H new ATOM 0 HB3 LEU A 45 6.075 2.061 2.585 1.00 0.39 H new ATOM 0 HG LEU A 45 8.036 3.778 1.130 1.00 0.95 H new ATOM 0 HD11 LEU A 45 7.438 2.231 -0.699 1.00 0.69 H new ATOM 0 HD12 LEU A 45 7.931 1.354 0.770 1.00 0.69 H new ATOM 0 HD13 LEU A 45 6.207 1.482 0.346 1.00 0.69 H new ATOM 0 HD21 LEU A 45 6.350 4.433 -0.533 1.00 1.87 H new ATOM 0 HD22 LEU A 45 5.070 3.760 0.503 1.00 1.87 H new ATOM 0 HD23 LEU A 45 6.023 5.156 1.060 1.00 1.87 H new ATOM 715 N ASN A 46 5.874 3.780 5.707 1.00 0.40 N ATOM 716 CA ASN A 46 5.194 3.526 6.957 1.00 0.45 C ATOM 717 C ASN A 46 4.035 4.517 7.068 1.00 0.43 C ATOM 718 O ASN A 46 2.918 4.142 7.426 1.00 0.42 O ATOM 719 CB ASN A 46 6.179 3.614 8.133 1.00 0.53 C ATOM 720 CG ASN A 46 5.523 4.018 9.444 1.00 0.59 C ATOM 721 OD1 ASN A 46 5.386 5.203 9.748 1.00 1.25 O ATOM 722 ND2 ASN A 46 5.142 3.034 10.242 1.00 1.00 N ATOM 0 H ASN A 46 6.812 4.171 5.797 1.00 0.40 H new ATOM 0 HA ASN A 46 4.788 2.515 6.988 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.666 2.647 8.262 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.960 4.334 7.889 1.00 0.53 H new ATOM 0 HD21 ASN A 46 4.718 3.245 11.145 1.00 1.00 H new ATOM 0 HD22 ASN A 46 5.273 2.064 9.954 1.00 1.00 H new ATOM 729 N LYS A 47 4.309 5.779 6.729 1.00 0.49 N ATOM 730 CA LYS A 47 3.265 6.774 6.483 1.00 0.47 C ATOM 731 C LYS A 47 2.303 6.334 5.371 1.00 0.42 C ATOM 732 O LYS A 47 1.146 6.741 5.355 1.00 0.43 O ATOM 733 CB LYS A 47 3.900 8.133 6.144 1.00 0.53 C ATOM 734 CG LYS A 47 3.035 9.034 5.269 1.00 1.02 C ATOM 735 CD LYS A 47 3.578 10.451 5.177 1.00 1.07 C ATOM 736 CE LYS A 47 4.855 10.513 4.357 1.00 1.30 C ATOM 737 NZ LYS A 47 5.318 11.913 4.168 1.00 2.15 N ATOM 0 H LYS A 47 5.257 6.138 6.618 1.00 0.49 H new ATOM 0 HA LYS A 47 2.678 6.872 7.396 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.124 8.657 7.073 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.850 7.960 5.638 1.00 0.53 H new ATOM 0 HG2 LYS A 47 2.969 8.608 4.268 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.022 9.062 5.671 1.00 1.02 H new ATOM 0 HD2 LYS A 47 2.826 11.100 4.728 1.00 1.07 H new ATOM 0 HD3 LYS A 47 3.771 10.832 6.180 1.00 1.07 H new ATOM 0 HE2 LYS A 47 5.635 9.935 4.853 1.00 1.30 H new ATOM 0 HE3 LYS A 47 4.686 10.051 3.384 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 6.192 11.917 3.604 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 4.584 12.458 3.672 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 5.503 12.346 5.095 1.00 2.15 H new ATOM 751 N ALA A 48 2.770 5.513 4.437 1.00 0.40 N ATOM 752 CA ALA A 48 1.899 5.003 3.382 1.00 0.38 C ATOM 753 C ALA A 48 0.842 4.085 3.980 1.00 0.36 C ATOM 754 O ALA A 48 -0.303 4.066 3.538 1.00 0.36 O ATOM 755 CB ALA A 48 2.696 4.288 2.292 1.00 0.41 C ATOM 0 H ALA A 48 3.736 5.189 4.387 1.00 0.40 H new ATOM 0 HA ALA A 48 1.401 5.850 2.910 1.00 0.38 H new ATOM 0 HB1 ALA A 48 2.015 3.922 1.524 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.406 4.984 1.845 1.00 0.41 H new ATOM 0 HB3 ALA A 48 3.236 3.448 2.728 1.00 0.41 H new ATOM 761 N LYS A 49 1.221 3.349 5.014 1.00 0.37 N ATOM 762 CA LYS A 49 0.271 2.523 5.745 1.00 0.41 C ATOM 763 C LYS A 49 -0.641 3.404 6.582 1.00 0.46 C ATOM 764 O LYS A 49 -1.789 3.062 6.850 1.00 0.56 O ATOM 765 CB LYS A 49 0.998 1.547 6.662 1.00 0.41 C ATOM 766 CG LYS A 49 1.910 0.578 5.940 1.00 0.39 C ATOM 767 CD LYS A 49 2.469 -0.445 6.902 1.00 0.42 C ATOM 768 CE LYS A 49 3.449 0.178 7.882 1.00 0.45 C ATOM 769 NZ LYS A 49 3.636 -0.668 9.088 1.00 1.03 N ATOM 0 H LYS A 49 2.178 3.307 5.366 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.318 1.959 5.021 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.587 2.114 7.383 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.260 0.980 7.229 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.359 0.075 5.146 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.726 1.123 5.466 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.652 -0.911 7.452 1.00 0.42 H new ATOM 0 HD3 LYS A 49 2.968 -1.236 6.342 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.410 0.327 7.390 1.00 0.45 H new ATOM 0 HE3 LYS A 49 3.088 1.162 8.181 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.311 -0.209 9.732 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 2.723 -0.789 9.572 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.004 -1.599 8.806 1.00 1.03 H new ATOM 783 N LEU A 50 -0.100 4.536 6.992 1.00 0.44 N ATOM 784 CA LEU A 50 -0.814 5.494 7.818 1.00 0.51 C ATOM 785 C LEU A 50 -1.899 6.208 7.021 1.00 0.44 C ATOM 786 O LEU A 50 -3.042 6.324 7.465 1.00 0.43 O ATOM 787 CB LEU A 50 0.189 6.494 8.395 1.00 0.62 C ATOM 788 CG LEU A 50 1.159 5.896 9.414 1.00 1.02 C ATOM 789 CD1 LEU A 50 1.988 6.990 10.064 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.400 5.093 10.462 1.00 0.75 C ATOM 0 H LEU A 50 0.852 4.819 6.761 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.310 4.966 8.632 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.763 6.929 7.576 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.359 7.309 8.868 1.00 0.62 H new ATOM 0 HG LEU A 50 1.838 5.220 8.894 1.00 1.02 H new ATOM 0 HD11 LEU A 50 2.673 6.547 10.787 1.00 2.08 H new ATOM 0 HD12 LEU A 50 2.558 7.517 9.299 1.00 2.08 H new ATOM 0 HD13 LEU A 50 1.328 7.692 10.573 1.00 2.08 H new ATOM 0 HD21 LEU A 50 1.105 4.674 11.180 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.303 5.745 10.981 1.00 0.75 H new ATOM 0 HD23 LEU A 50 -0.146 4.285 9.976 1.00 0.75 H new ATOM 802 N THR A 51 -1.535 6.664 5.835 1.00 0.41 N ATOM 803 CA THR A 51 -2.450 7.369 4.952 1.00 0.40 C ATOM 804 C THR A 51 -3.556 6.446 4.460 1.00 0.35 C ATOM 805 O THR A 51 -4.731 6.803 4.476 1.00 0.34 O ATOM 806 CB THR A 51 -1.698 7.951 3.741 1.00 0.43 C ATOM 807 OG1 THR A 51 -0.833 6.956 3.184 1.00 0.48 O ATOM 808 CG2 THR A 51 -0.878 9.164 4.139 1.00 0.54 C ATOM 0 H THR A 51 -0.594 6.556 5.456 1.00 0.41 H new ATOM 0 HA THR A 51 -2.896 8.182 5.525 1.00 0.40 H new ATOM 0 HB THR A 51 -2.436 8.259 3.000 1.00 0.43 H new ATOM 0 HG1 THR A 51 -0.358 7.330 2.413 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.358 9.554 3.264 1.00 0.54 H new ATOM 0 HG22 THR A 51 -1.537 9.933 4.542 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.149 8.878 4.897 1.00 0.54 H new ATOM 816 N VAL A 52 -3.169 5.252 4.041 1.00 0.34 N ATOM 817 CA VAL A 52 -4.110 4.276 3.520 1.00 0.31 C ATOM 818 C VAL A 52 -4.965 3.700 4.638 1.00 0.27 C ATOM 819 O VAL A 52 -6.175 3.534 4.486 1.00 0.28 O ATOM 820 CB VAL A 52 -3.369 3.148 2.773 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.323 2.065 2.321 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.607 3.712 1.585 1.00 0.43 C ATOM 0 H VAL A 52 -2.200 4.934 4.052 1.00 0.34 H new ATOM 0 HA VAL A 52 -4.766 4.784 2.813 1.00 0.31 H new ATOM 0 HB VAL A 52 -2.659 2.698 3.467 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -3.768 1.286 1.798 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -4.822 1.634 3.189 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.067 2.493 1.649 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.089 2.904 1.068 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.305 4.193 0.900 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -1.879 4.444 1.934 1.00 0.43 H new ATOM 832 N GLY A 53 -4.322 3.411 5.758 1.00 0.27 N ATOM 833 CA GLY A 53 -5.040 2.949 6.924 1.00 0.30 C ATOM 834 C GLY A 53 -6.136 3.919 7.292 1.00 0.27 C ATOM 835 O GLY A 53 -7.273 3.531 7.572 1.00 0.27 O ATOM 0 H GLY A 53 -3.312 3.489 5.880 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.468 1.966 6.728 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.351 2.836 7.761 1.00 0.30 H new ATOM 839 N ARG A 54 -5.789 5.191 7.265 1.00 0.27 N ATOM 840 CA ARG A 54 -6.726 6.248 7.562 1.00 0.27 C ATOM 841 C ARG A 54 -7.687 6.540 6.418 1.00 0.24 C ATOM 842 O ARG A 54 -8.757 7.097 6.641 1.00 0.25 O ATOM 843 CB ARG A 54 -5.985 7.493 8.007 1.00 0.38 C ATOM 844 CG ARG A 54 -5.826 7.540 9.511 1.00 0.89 C ATOM 845 CD ARG A 54 -4.547 8.232 9.926 1.00 1.02 C ATOM 846 NE ARG A 54 -4.292 8.088 11.356 1.00 1.79 N ATOM 847 CZ ARG A 54 -3.440 8.849 12.037 1.00 2.26 C ATOM 848 NH1 ARG A 54 -2.786 9.828 11.425 1.00 2.18 N ATOM 849 NH2 ARG A 54 -3.248 8.633 13.331 1.00 3.18 N ATOM 0 H ARG A 54 -4.850 5.517 7.036 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.353 5.900 8.383 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.002 7.520 7.536 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.525 8.378 7.670 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -6.678 8.060 9.949 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -5.834 6.525 9.908 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.710 7.817 9.364 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -4.608 9.290 9.672 1.00 1.02 H new ATOM 0 HE ARG A 54 -4.797 7.361 11.863 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -2.936 9.998 10.431 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -2.133 10.411 11.949 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -3.754 7.884 13.803 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -2.595 9.216 13.854 1.00 3.18 H new ATOM 863 N MET A 55 -7.327 6.166 5.201 1.00 0.23 N ATOM 864 CA MET A 55 -8.258 6.293 4.091 1.00 0.24 C ATOM 865 C MET A 55 -9.375 5.274 4.256 1.00 0.21 C ATOM 866 O MET A 55 -10.542 5.566 4.003 1.00 0.23 O ATOM 867 CB MET A 55 -7.565 6.110 2.740 1.00 0.28 C ATOM 868 CG MET A 55 -8.493 6.379 1.568 1.00 0.34 C ATOM 869 SD MET A 55 -9.195 8.041 1.621 1.00 0.68 S ATOM 870 CE MET A 55 -10.516 7.886 0.424 1.00 0.41 C ATOM 0 H MET A 55 -6.415 5.779 4.959 1.00 0.23 H new ATOM 0 HA MET A 55 -8.671 7.302 4.104 1.00 0.24 H new ATOM 0 HB2 MET A 55 -6.708 6.781 2.682 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.180 5.093 2.668 1.00 0.28 H new ATOM 0 HG2 MET A 55 -7.945 6.248 0.635 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.299 5.646 1.570 1.00 0.34 H new ATOM 0 HE1 MET A 55 -10.989 8.857 0.277 1.00 0.41 H new ATOM 0 HE2 MET A 55 -10.109 7.534 -0.524 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.256 7.173 0.789 1.00 0.41 H new ATOM 880 N VAL A 56 -9.004 4.080 4.700 1.00 0.20 N ATOM 881 CA VAL A 56 -9.980 3.072 5.091 1.00 0.22 C ATOM 882 C VAL A 56 -10.821 3.603 6.244 1.00 0.21 C ATOM 883 O VAL A 56 -12.035 3.397 6.302 1.00 0.25 O ATOM 884 CB VAL A 56 -9.293 1.757 5.516 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.309 0.756 6.045 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.512 1.163 4.355 1.00 0.26 C ATOM 0 H VAL A 56 -8.032 3.786 4.798 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.614 2.859 4.230 1.00 0.22 H new ATOM 0 HB VAL A 56 -8.595 1.986 6.321 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -9.798 -0.161 6.337 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -10.819 1.178 6.911 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.039 0.533 5.267 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.035 0.236 4.674 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.191 0.955 3.528 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -7.749 1.871 4.030 1.00 0.26 H new ATOM 896 N THR A 57 -10.159 4.320 7.144 1.00 0.19 N ATOM 897 CA THR A 57 -10.827 4.952 8.267 1.00 0.22 C ATOM 898 C THR A 57 -11.845 5.979 7.772 1.00 0.21 C ATOM 899 O THR A 57 -12.927 6.103 8.333 1.00 0.25 O ATOM 900 CB THR A 57 -9.808 5.627 9.205 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.804 4.677 9.593 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.489 6.182 10.447 1.00 0.33 C ATOM 0 H THR A 57 -9.152 4.477 7.114 1.00 0.19 H new ATOM 0 HA THR A 57 -11.350 4.178 8.828 1.00 0.22 H new ATOM 0 HB THR A 57 -9.347 6.455 8.667 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.372 4.312 8.793 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.745 6.652 11.090 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.235 6.921 10.154 1.00 0.33 H new ATOM 0 HG23 THR A 57 -10.976 5.371 10.988 1.00 0.33 H new ATOM 910 N SER A 58 -11.499 6.684 6.697 1.00 0.24 N ATOM 911 CA SER A 58 -12.392 7.662 6.094 1.00 0.28 C ATOM 912 C SER A 58 -13.698 6.996 5.659 1.00 0.26 C ATOM 913 O SER A 58 -14.780 7.505 5.938 1.00 0.32 O ATOM 914 CB SER A 58 -11.709 8.341 4.900 1.00 0.34 C ATOM 915 OG SER A 58 -12.488 9.417 4.400 1.00 1.20 O ATOM 0 H SER A 58 -10.599 6.593 6.225 1.00 0.24 H new ATOM 0 HA SER A 58 -12.627 8.424 6.837 1.00 0.28 H new ATOM 0 HB2 SER A 58 -10.728 8.709 5.201 1.00 0.34 H new ATOM 0 HB3 SER A 58 -11.546 7.610 4.108 1.00 0.34 H new ATOM 0 HG SER A 58 -12.026 9.830 3.641 1.00 1.20 H new ATOM 921 N LEU A 59 -13.595 5.845 5.001 1.00 0.23 N ATOM 922 CA LEU A 59 -14.780 5.108 4.562 1.00 0.23 C ATOM 923 C LEU A 59 -15.562 4.574 5.757 1.00 0.23 C ATOM 924 O LEU A 59 -16.787 4.462 5.713 1.00 0.30 O ATOM 925 CB LEU A 59 -14.402 3.955 3.622 1.00 0.29 C ATOM 926 CG LEU A 59 -14.164 4.338 2.154 1.00 0.34 C ATOM 927 CD1 LEU A 59 -15.352 5.109 1.603 1.00 1.39 C ATOM 928 CD2 LEU A 59 -12.884 5.142 1.990 1.00 1.45 C ATOM 0 H LEU A 59 -12.708 5.402 4.760 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.413 5.805 4.013 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.498 3.481 4.005 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.194 3.207 3.659 1.00 0.29 H new ATOM 0 HG LEU A 59 -14.053 3.415 1.585 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -15.164 5.371 0.562 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -16.248 4.491 1.666 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -15.497 6.019 2.186 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -12.746 5.396 0.939 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -12.951 6.057 2.579 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -12.036 4.550 2.334 1.00 1.45 H new ATOM 940 N LEU A 60 -14.849 4.259 6.831 1.00 0.20 N ATOM 941 CA LEU A 60 -15.475 3.762 8.050 1.00 0.23 C ATOM 942 C LEU A 60 -16.124 4.913 8.825 1.00 0.28 C ATOM 943 O LEU A 60 -16.766 4.703 9.853 1.00 0.33 O ATOM 944 CB LEU A 60 -14.430 3.049 8.920 1.00 0.24 C ATOM 945 CG LEU A 60 -14.826 1.656 9.429 1.00 0.58 C ATOM 946 CD1 LEU A 60 -16.001 1.736 10.391 1.00 1.43 C ATOM 947 CD2 LEU A 60 -15.156 0.738 8.261 1.00 0.59 C ATOM 0 H LEU A 60 -13.833 4.339 6.883 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.254 3.049 7.782 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.508 2.957 8.346 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.208 3.681 9.780 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.976 1.241 9.971 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -16.259 0.734 10.735 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.729 2.354 11.247 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.858 2.177 9.882 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -15.435 -0.246 8.639 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.986 1.157 7.692 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -14.284 0.644 7.614 1.00 0.59 H new ATOM 959 N GLU A 61 -15.978 6.125 8.306 1.00 0.32 N ATOM 960 CA GLU A 61 -16.571 7.302 8.922 1.00 0.42 C ATOM 961 C GLU A 61 -17.902 7.638 8.253 1.00 0.45 C ATOM 962 O GLU A 61 -18.406 8.756 8.368 1.00 0.59 O ATOM 963 CB GLU A 61 -15.617 8.495 8.829 1.00 0.56 C ATOM 964 CG GLU A 61 -14.349 8.345 9.657 1.00 0.77 C ATOM 965 CD GLU A 61 -14.613 8.233 11.143 1.00 1.74 C ATOM 966 OE1 GLU A 61 -14.974 9.256 11.763 1.00 2.36 O ATOM 967 OE2 GLU A 61 -14.439 7.134 11.708 1.00 2.46 O ATOM 0 H GLU A 61 -15.450 6.318 7.455 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.753 7.085 9.974 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -15.341 8.644 7.785 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -16.144 9.393 9.151 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -13.808 7.459 9.323 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -13.701 9.202 9.474 1.00 0.77 H new ATOM 974 N LYS A 62 -18.468 6.659 7.555 1.00 0.46 N ATOM 975 CA LYS A 62 -19.785 6.802 6.942 1.00 0.53 C ATOM 976 C LYS A 62 -20.550 5.500 7.111 1.00 0.43 C ATOM 977 O LYS A 62 -20.303 4.526 6.400 1.00 0.41 O ATOM 978 CB LYS A 62 -19.726 7.156 5.448 1.00 0.70 C ATOM 979 CG LYS A 62 -18.338 7.208 4.841 1.00 0.62 C ATOM 980 CD LYS A 62 -17.750 8.605 4.917 1.00 0.76 C ATOM 981 CE LYS A 62 -16.585 8.771 3.960 1.00 0.72 C ATOM 982 NZ LYS A 62 -15.989 10.131 4.039 1.00 0.97 N ATOM 0 H LYS A 62 -18.031 5.751 7.399 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.284 7.629 7.446 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -20.317 6.425 4.896 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -20.203 8.126 5.304 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.685 6.508 5.363 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -18.383 6.887 3.800 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -18.521 9.339 4.683 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -17.417 8.806 5.935 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -15.821 8.027 4.186 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -16.923 8.582 2.941 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -15.196 10.202 3.369 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -16.710 10.841 3.799 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -15.643 10.303 5.005 1.00 0.97 H new ATOM 996 N PRO A 63 -21.492 5.481 8.059 1.00 0.46 N ATOM 997 CA PRO A 63 -22.228 4.269 8.448 1.00 0.48 C ATOM 998 C PRO A 63 -22.897 3.560 7.271 1.00 0.42 C ATOM 999 O PRO A 63 -22.940 2.329 7.223 1.00 0.42 O ATOM 1000 CB PRO A 63 -23.285 4.791 9.426 1.00 0.65 C ATOM 1001 CG PRO A 63 -22.722 6.066 9.955 1.00 0.69 C ATOM 1002 CD PRO A 63 -21.916 6.658 8.833 1.00 0.59 C ATOM 0 HA PRO A 63 -21.558 3.520 8.871 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.239 4.958 8.925 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -23.468 4.077 10.229 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -23.517 6.745 10.265 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -22.098 5.884 10.830 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -22.511 7.343 8.229 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.062 7.222 9.206 1.00 0.59 H new ATOM 1010 N SER A 64 -23.419 4.334 6.327 1.00 0.43 N ATOM 1011 CA SER A 64 -24.058 3.766 5.146 1.00 0.46 C ATOM 1012 C SER A 64 -23.039 3.014 4.291 1.00 0.42 C ATOM 1013 O SER A 64 -23.264 1.863 3.911 1.00 0.43 O ATOM 1014 CB SER A 64 -24.739 4.863 4.323 1.00 0.57 C ATOM 1015 OG SER A 64 -25.456 4.315 3.229 1.00 1.46 O ATOM 0 H SER A 64 -23.413 5.354 6.356 1.00 0.43 H new ATOM 0 HA SER A 64 -24.819 3.059 5.477 1.00 0.46 H new ATOM 0 HB2 SER A 64 -25.419 5.429 4.959 1.00 0.57 H new ATOM 0 HB3 SER A 64 -23.989 5.563 3.955 1.00 0.57 H new ATOM 0 HG SER A 64 -25.882 5.038 2.722 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.909 3.662 4.017 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.844 3.055 3.224 1.00 0.39 C ATOM 1023 C VAL A 65 -20.339 1.783 3.893 1.00 0.34 C ATOM 1024 O VAL A 65 -20.093 0.772 3.227 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.666 4.034 3.028 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.557 3.400 2.205 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -20.143 5.321 2.374 1.00 0.47 C ATOM 0 H VAL A 65 -21.707 4.610 4.334 1.00 0.40 H new ATOM 0 HA VAL A 65 -21.261 2.810 2.247 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.262 4.272 4.012 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.741 4.113 2.083 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -18.188 2.510 2.715 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.945 3.122 1.225 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -19.299 5.998 2.244 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -20.579 5.095 1.401 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.894 5.794 3.007 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.221 1.840 5.215 1.00 0.34 N ATOM 1038 CA VAL A 66 -19.801 0.690 6.003 1.00 0.31 C ATOM 1039 C VAL A 66 -20.740 -0.488 5.772 1.00 0.32 C ATOM 1040 O VAL A 66 -20.293 -1.581 5.428 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.760 1.026 7.512 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.380 -0.196 8.336 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -18.792 2.166 7.779 1.00 0.34 C ATOM 0 H VAL A 66 -20.412 2.677 5.765 1.00 0.34 H new ATOM 0 HA VAL A 66 -18.795 0.422 5.679 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.760 1.339 7.813 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.359 0.070 9.393 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.114 -0.986 8.175 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.395 -0.548 8.031 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.777 2.388 8.846 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -17.792 1.878 7.454 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -19.111 3.051 7.229 1.00 0.34 H new ATOM 1053 N ALA A 67 -22.042 -0.240 5.923 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.057 -1.283 5.766 1.00 0.36 C ATOM 1055 C ALA A 67 -22.974 -1.952 4.404 1.00 0.32 C ATOM 1056 O ALA A 67 -23.168 -3.155 4.288 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.452 -0.725 5.970 1.00 0.41 C ATOM 0 H ALA A 67 -22.420 0.679 6.155 1.00 0.34 H new ATOM 0 HA ALA A 67 -22.856 -2.032 6.532 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.185 -1.523 5.847 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.534 -0.308 6.974 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.642 0.058 5.236 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.703 -1.168 3.375 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.582 -1.698 2.024 1.00 0.27 C ATOM 1065 C TYR A 68 -21.334 -2.547 1.856 1.00 0.23 C ATOM 1066 O TYR A 68 -21.336 -3.523 1.111 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.680 -0.585 0.990 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.119 -0.204 0.759 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.905 -0.933 -0.121 1.00 1.46 C ATOM 1070 CD2 TYR A 68 -24.709 0.841 1.456 1.00 1.45 C ATOM 1071 CE1 TYR A 68 -26.237 -0.628 -0.307 1.00 1.88 C ATOM 1072 CE2 TYR A 68 -26.042 1.146 1.284 1.00 1.86 C ATOM 1073 CZ TYR A 68 -26.801 0.411 0.401 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.130 0.710 0.228 1.00 2.35 O ATOM 0 H TYR A 68 -22.562 -0.160 3.447 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.425 -2.368 1.852 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.117 0.285 1.329 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.229 -0.911 0.053 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.467 -1.753 -0.670 1.00 1.46 H new ATOM 0 HD2 TYR A 68 -24.115 1.424 2.144 1.00 1.45 H new ATOM 0 HE1 TYR A 68 -26.834 -1.199 -1.003 1.00 1.88 H new ATOM 0 HE2 TYR A 68 -26.489 1.957 1.839 1.00 1.86 H new ATOM 0 HH TYR A 68 -28.372 1.468 0.801 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.254 -2.158 2.512 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.051 -2.977 2.524 1.00 0.19 C ATOM 1086 C LEU A 69 -19.339 -4.348 3.139 1.00 0.24 C ATOM 1087 O LEU A 69 -19.001 -5.378 2.563 1.00 0.27 O ATOM 1088 CB LEU A 69 -17.951 -2.267 3.305 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.523 -0.932 2.719 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.709 -0.131 3.722 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.731 -1.142 1.438 1.00 0.29 C ATOM 0 H LEU A 69 -20.184 -1.288 3.040 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.719 -3.127 1.497 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.294 -2.107 4.327 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.081 -2.921 3.359 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.423 -0.363 2.483 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.416 0.820 3.276 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.310 0.055 4.612 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -15.817 -0.693 3.998 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.433 -0.175 1.032 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -15.842 -1.735 1.653 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.350 -1.666 0.710 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.001 -4.367 4.285 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.325 -5.630 4.946 1.00 0.43 C ATOM 1105 C GLU A 70 -21.492 -6.311 4.274 1.00 0.49 C ATOM 1106 O GLU A 70 -21.720 -7.511 4.438 1.00 0.60 O ATOM 1107 CB GLU A 70 -20.650 -5.406 6.411 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.275 -4.055 6.688 1.00 0.49 C ATOM 1109 CD GLU A 70 -21.804 -3.928 8.100 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.157 -4.452 9.029 1.00 1.26 O ATOM 1111 OE2 GLU A 70 -22.866 -3.298 8.291 1.00 1.25 O ATOM 0 H GLU A 70 -20.324 -3.533 4.776 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.448 -6.272 4.868 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.329 -6.189 6.749 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -19.736 -5.502 6.997 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.534 -3.275 6.512 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.090 -3.886 5.984 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.235 -5.522 3.534 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.360 -6.021 2.809 1.00 0.57 C ATOM 1120 C GLY A 71 -24.530 -6.322 3.709 1.00 0.69 C ATOM 1121 O GLY A 71 -25.229 -7.323 3.533 1.00 0.92 O ATOM 0 H GLY A 71 -22.071 -4.521 3.423 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -23.660 -5.289 2.059 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.073 -6.926 2.274 1.00 0.57 H new ATOM 1185 N PRO B 2 15.827 -13.863 -3.045 1.00 0.76 N ATOM 1186 CA PRO B 2 15.486 -12.506 -3.473 1.00 0.64 C ATOM 1187 C PRO B 2 16.115 -11.463 -2.555 1.00 0.58 C ATOM 1188 O PRO B 2 15.954 -11.515 -1.333 1.00 0.64 O ATOM 1189 CB PRO B 2 13.952 -12.463 -3.374 1.00 0.69 C ATOM 1190 CG PRO B 2 13.581 -13.626 -2.517 1.00 0.80 C ATOM 1191 CD PRO B 2 14.629 -14.668 -2.771 1.00 0.84 C ATOM 0 HA PRO B 2 15.854 -12.281 -4.474 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.612 -11.526 -2.934 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.492 -12.538 -4.359 1.00 0.69 H new ATOM 0 HG2 PRO B 2 13.556 -13.344 -1.464 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.589 -13.999 -2.771 1.00 0.80 H new ATOM 0 HD2 PRO B 2 14.768 -15.320 -1.909 1.00 0.84 H new ATOM 0 HD3 PRO B 2 14.369 -15.306 -3.615 1.00 0.84 H new ATOM 1199 N SER B 3 16.833 -10.524 -3.148 1.00 0.51 N ATOM 1200 CA SER B 3 17.537 -9.510 -2.386 1.00 0.47 C ATOM 1201 C SER B 3 16.593 -8.394 -1.949 1.00 0.40 C ATOM 1202 O SER B 3 15.416 -8.394 -2.310 1.00 0.37 O ATOM 1203 CB SER B 3 18.687 -8.932 -3.213 1.00 0.46 C ATOM 1204 OG SER B 3 19.540 -9.959 -3.693 1.00 0.59 O ATOM 0 H SER B 3 16.943 -10.444 -4.159 1.00 0.51 H new ATOM 0 HA SER B 3 17.942 -9.981 -1.490 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.285 -8.366 -4.054 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.261 -8.234 -2.604 1.00 0.46 H new ATOM 0 HG SER B 3 20.419 -9.581 -3.907 1.00 0.59 H new ATOM 1210 N LYS B 4 17.108 -7.449 -1.178 1.00 0.41 N ATOM 1211 CA LYS B 4 16.317 -6.318 -0.701 1.00 0.41 C ATOM 1212 C LYS B 4 15.671 -5.560 -1.865 1.00 0.29 C ATOM 1213 O LYS B 4 14.580 -5.007 -1.725 1.00 0.27 O ATOM 1214 CB LYS B 4 17.207 -5.373 0.102 1.00 0.54 C ATOM 1215 CG LYS B 4 17.984 -6.059 1.217 1.00 0.84 C ATOM 1216 CD LYS B 4 19.334 -5.393 1.434 1.00 0.95 C ATOM 1217 CE LYS B 4 19.194 -3.941 1.859 1.00 0.62 C ATOM 1218 NZ LYS B 4 20.354 -3.126 1.403 1.00 1.79 N ATOM 0 H LYS B 4 18.079 -7.441 -0.865 1.00 0.41 H new ATOM 0 HA LYS B 4 15.520 -6.703 -0.065 1.00 0.41 H new ATOM 0 HB2 LYS B 4 17.912 -4.890 -0.575 1.00 0.54 H new ATOM 0 HB3 LYS B 4 16.589 -4.586 0.534 1.00 0.54 H new ATOM 0 HG2 LYS B 4 17.406 -6.026 2.141 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.129 -7.110 0.969 1.00 0.84 H new ATOM 0 HD2 LYS B 4 19.890 -5.941 2.195 1.00 0.95 H new ATOM 0 HD3 LYS B 4 19.916 -5.446 0.514 1.00 0.95 H new ATOM 0 HE2 LYS B 4 18.273 -3.527 1.448 1.00 0.62 H new ATOM 0 HE3 LYS B 4 19.112 -3.884 2.944 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 20.119 -2.116 1.478 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 21.181 -3.335 1.999 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 20.573 -3.357 0.413 1.00 1.79 H new ATOM 1232 N LEU B 5 16.340 -5.536 -3.017 1.00 0.26 N ATOM 1233 CA LEU B 5 15.805 -4.843 -4.181 1.00 0.21 C ATOM 1234 C LEU B 5 14.630 -5.605 -4.770 1.00 0.18 C ATOM 1235 O LEU B 5 13.669 -5.002 -5.241 1.00 0.17 O ATOM 1236 CB LEU B 5 16.896 -4.583 -5.225 1.00 0.22 C ATOM 1237 CG LEU B 5 16.441 -3.914 -6.527 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.573 -3.095 -7.117 1.00 0.27 C ATOM 1239 CD2 LEU B 5 15.970 -4.943 -7.547 1.00 0.32 C ATOM 0 H LEU B 5 17.244 -5.984 -3.166 1.00 0.26 H new ATOM 0 HA LEU B 5 15.436 -3.870 -3.856 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.664 -3.959 -4.769 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.365 -5.535 -5.475 1.00 0.22 H new ATOM 0 HG LEU B 5 15.602 -3.260 -6.288 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.238 -2.625 -8.041 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.874 -2.325 -6.406 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.422 -3.746 -7.328 1.00 0.27 H new ATOM 0 HD21 LEU B 5 15.655 -4.434 -8.458 1.00 0.32 H new ATOM 0 HD22 LEU B 5 16.787 -5.627 -7.778 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.131 -5.505 -7.136 1.00 0.32 H new ATOM 1251 N ALA B 6 14.700 -6.927 -4.742 1.00 0.22 N ATOM 1252 CA ALA B 6 13.553 -7.739 -5.110 1.00 0.26 C ATOM 1253 C ALA B 6 12.346 -7.322 -4.280 1.00 0.24 C ATOM 1254 O ALA B 6 11.233 -7.236 -4.795 1.00 0.27 O ATOM 1255 CB ALA B 6 13.851 -9.220 -4.923 1.00 0.35 C ATOM 0 H ALA B 6 15.530 -7.455 -4.471 1.00 0.22 H new ATOM 0 HA ALA B 6 13.332 -7.578 -6.165 1.00 0.26 H new ATOM 0 HB1 ALA B 6 12.976 -9.806 -5.205 1.00 0.35 H new ATOM 0 HB2 ALA B 6 14.696 -9.503 -5.551 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.095 -9.413 -3.878 1.00 0.35 H new ATOM 1261 N LEU B 7 12.585 -7.033 -3.001 1.00 0.22 N ATOM 1262 CA LEU B 7 11.534 -6.554 -2.109 1.00 0.22 C ATOM 1263 C LEU B 7 11.046 -5.163 -2.507 1.00 0.18 C ATOM 1264 O LEU B 7 9.858 -4.969 -2.739 1.00 0.19 O ATOM 1265 CB LEU B 7 12.052 -6.486 -0.668 1.00 0.24 C ATOM 1266 CG LEU B 7 12.035 -7.785 0.138 1.00 0.29 C ATOM 1267 CD1 LEU B 7 12.831 -8.884 -0.547 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.586 -7.513 1.527 1.00 0.32 C ATOM 0 H LEU B 7 13.500 -7.123 -2.560 1.00 0.22 H new ATOM 0 HA LEU B 7 10.705 -7.258 -2.186 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.077 -6.117 -0.694 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.460 -5.746 -0.130 1.00 0.24 H new ATOM 0 HG LEU B 7 11.006 -8.136 0.211 1.00 0.29 H new ATOM 0 HD11 LEU B 7 12.794 -9.790 0.057 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.403 -9.085 -1.529 1.00 0.31 H new ATOM 0 HD13 LEU B 7 13.867 -8.566 -0.661 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.577 -8.435 2.109 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.608 -7.144 1.447 1.00 0.32 H new ATOM 0 HD23 LEU B 7 11.968 -6.765 2.023 1.00 0.32 H new ATOM 1280 N ILE B 8 11.970 -4.200 -2.597 1.00 0.16 N ATOM 1281 CA ILE B 8 11.603 -2.820 -2.936 1.00 0.15 C ATOM 1282 C ILE B 8 10.877 -2.742 -4.281 1.00 0.16 C ATOM 1283 O ILE B 8 9.961 -1.943 -4.449 1.00 0.18 O ATOM 1284 CB ILE B 8 12.817 -1.843 -2.895 1.00 0.16 C ATOM 1285 CG1 ILE B 8 13.983 -2.339 -3.736 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.262 -1.594 -1.462 1.00 0.16 C ATOM 1287 CD1 ILE B 8 13.995 -1.772 -5.139 1.00 0.23 C ATOM 0 H ILE B 8 12.967 -4.348 -2.442 1.00 0.16 H new ATOM 0 HA ILE B 8 10.911 -2.492 -2.160 1.00 0.15 H new ATOM 0 HB ILE B 8 12.482 -0.901 -3.328 1.00 0.16 H new ATOM 0 HG12 ILE B 8 14.917 -2.078 -3.239 1.00 0.19 H new ATOM 0 HG13 ILE B 8 13.944 -3.427 -3.792 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.110 -0.909 -1.458 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.440 -1.156 -0.897 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.556 -2.538 -1.003 1.00 0.16 H new ATOM 0 HD11 ILE B 8 14.853 -2.167 -5.684 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.077 -2.055 -5.654 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.065 -0.685 -5.092 1.00 0.23 H new ATOM 1299 N GLN B 9 11.267 -3.593 -5.222 1.00 0.16 N ATOM 1300 CA GLN B 9 10.627 -3.634 -6.532 1.00 0.20 C ATOM 1301 C GLN B 9 9.258 -4.306 -6.485 1.00 0.22 C ATOM 1302 O GLN B 9 8.351 -3.921 -7.218 1.00 0.25 O ATOM 1303 CB GLN B 9 11.521 -4.344 -7.548 1.00 0.22 C ATOM 1304 CG GLN B 9 12.617 -3.459 -8.108 1.00 0.27 C ATOM 1305 CD GLN B 9 12.062 -2.284 -8.889 1.00 0.99 C ATOM 1306 OE1 GLN B 9 10.984 -2.364 -9.477 1.00 1.94 O ATOM 1307 NE2 GLN B 9 12.797 -1.191 -8.911 1.00 1.38 N ATOM 0 H GLN B 9 12.025 -4.265 -5.102 1.00 0.16 H new ATOM 0 HA GLN B 9 10.478 -2.600 -6.843 1.00 0.20 H new ATOM 0 HB2 GLN B 9 11.974 -5.216 -7.076 1.00 0.22 H new ATOM 0 HB3 GLN B 9 10.905 -4.711 -8.369 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.236 -3.090 -7.291 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.264 -4.051 -8.756 1.00 0.27 H new ATOM 0 HE21 GLN B 9 13.685 -1.164 -8.411 1.00 1.38 H new ATOM 0 HE22 GLN B 9 12.478 -0.372 -9.428 1.00 1.38 H new ATOM 1316 N GLU B 10 9.110 -5.328 -5.649 1.00 0.23 N ATOM 1317 CA GLU B 10 7.843 -6.041 -5.553 1.00 0.27 C ATOM 1318 C GLU B 10 6.829 -5.298 -4.696 1.00 0.25 C ATOM 1319 O GLU B 10 5.645 -5.602 -4.767 1.00 0.28 O ATOM 1320 CB GLU B 10 8.017 -7.479 -5.053 1.00 0.31 C ATOM 1321 CG GLU B 10 8.360 -7.602 -3.580 1.00 0.31 C ATOM 1322 CD GLU B 10 8.439 -9.044 -3.128 1.00 0.39 C ATOM 1323 OE1 GLU B 10 9.510 -9.661 -3.282 1.00 1.09 O ATOM 1324 OE2 GLU B 10 7.425 -9.570 -2.623 1.00 1.23 O ATOM 0 H GLU B 10 9.844 -5.678 -5.034 1.00 0.23 H new ATOM 0 HA GLU B 10 7.452 -6.089 -6.569 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.096 -8.030 -5.245 1.00 0.31 H new ATOM 0 HB3 GLU B 10 8.803 -7.959 -5.636 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.314 -7.111 -3.389 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.608 -7.079 -2.989 1.00 0.31 H new ATOM 1331 N LEU B 11 7.289 -4.372 -3.851 1.00 0.22 N ATOM 1332 CA LEU B 11 6.381 -3.564 -3.024 1.00 0.21 C ATOM 1333 C LEU B 11 5.192 -3.032 -3.844 1.00 0.22 C ATOM 1334 O LEU B 11 4.051 -3.149 -3.403 1.00 0.21 O ATOM 1335 CB LEU B 11 7.114 -2.394 -2.349 1.00 0.21 C ATOM 1336 CG LEU B 11 8.314 -2.772 -1.481 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.892 -1.537 -0.818 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.929 -3.805 -0.433 1.00 0.19 C ATOM 0 H LEU B 11 8.278 -4.162 -3.720 1.00 0.22 H new ATOM 0 HA LEU B 11 5.999 -4.225 -2.246 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.453 -1.707 -3.124 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.399 -1.851 -1.731 1.00 0.21 H new ATOM 0 HG LEU B 11 9.073 -3.214 -2.126 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.746 -1.820 -0.203 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.214 -0.831 -1.583 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.132 -1.071 -0.191 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.802 -4.055 0.170 1.00 0.19 H new ATOM 0 HD22 LEU B 11 7.149 -3.398 0.210 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.560 -4.704 -0.927 1.00 0.19 H new ATOM 1350 N PRO B 12 5.428 -2.435 -5.042 1.00 0.23 N ATOM 1351 CA PRO B 12 4.343 -2.043 -5.951 1.00 0.26 C ATOM 1352 C PRO B 12 3.357 -3.177 -6.229 1.00 0.27 C ATOM 1353 O PRO B 12 2.146 -2.972 -6.207 1.00 0.29 O ATOM 1354 CB PRO B 12 5.076 -1.651 -7.234 1.00 0.32 C ATOM 1355 CG PRO B 12 6.405 -1.180 -6.767 1.00 0.29 C ATOM 1356 CD PRO B 12 6.747 -2.034 -5.578 1.00 0.24 C ATOM 0 HA PRO B 12 3.735 -1.245 -5.524 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.170 -2.498 -7.913 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.543 -0.868 -7.773 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.155 -1.284 -7.552 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.373 -0.125 -6.495 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.342 -2.901 -5.866 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.327 -1.479 -4.840 1.00 0.24 H new ATOM 1364 N ASP B 13 3.879 -4.375 -6.461 1.00 0.27 N ATOM 1365 CA ASP B 13 3.043 -5.539 -6.748 1.00 0.29 C ATOM 1366 C ASP B 13 2.258 -5.925 -5.499 1.00 0.26 C ATOM 1367 O ASP B 13 1.054 -6.168 -5.555 1.00 0.25 O ATOM 1368 CB ASP B 13 3.918 -6.714 -7.202 1.00 0.35 C ATOM 1369 CG ASP B 13 3.121 -7.881 -7.758 1.00 1.17 C ATOM 1370 OD1 ASP B 13 2.224 -8.395 -7.061 1.00 1.70 O ATOM 1371 OD2 ASP B 13 3.412 -8.304 -8.895 1.00 2.01 O ATOM 0 H ASP B 13 4.880 -4.568 -6.456 1.00 0.27 H new ATOM 0 HA ASP B 13 2.345 -5.291 -7.548 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.616 -6.365 -7.963 1.00 0.35 H new ATOM 0 HB3 ASP B 13 4.514 -7.060 -6.358 1.00 0.35 H new ATOM 1376 N ARG B 14 2.962 -5.964 -4.376 1.00 0.27 N ATOM 1377 CA ARG B 14 2.355 -6.238 -3.080 1.00 0.27 C ATOM 1378 C ARG B 14 1.228 -5.264 -2.787 1.00 0.24 C ATOM 1379 O ARG B 14 0.200 -5.649 -2.251 1.00 0.25 O ATOM 1380 CB ARG B 14 3.387 -6.154 -1.959 1.00 0.31 C ATOM 1381 CG ARG B 14 4.357 -7.318 -1.916 1.00 0.42 C ATOM 1382 CD ARG B 14 5.325 -7.164 -0.758 1.00 0.37 C ATOM 1383 NE ARG B 14 6.253 -8.286 -0.667 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.649 -8.842 0.474 1.00 0.60 C ATOM 1385 NH1 ARG B 14 6.135 -8.447 1.631 1.00 1.20 N ATOM 1386 NH2 ARG B 14 7.548 -9.818 0.451 1.00 1.04 N ATOM 0 H ARG B 14 3.969 -5.807 -4.337 1.00 0.27 H new ATOM 0 HA ARG B 14 1.954 -7.251 -3.124 1.00 0.27 H new ATOM 0 HB2 ARG B 14 3.953 -5.229 -2.070 1.00 0.31 H new ATOM 0 HB3 ARG B 14 2.865 -6.096 -1.004 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.807 -8.253 -1.815 1.00 0.42 H new ATOM 0 HG3 ARG B 14 4.909 -7.373 -2.854 1.00 0.42 H new ATOM 0 HD2 ARG B 14 5.887 -6.238 -0.876 1.00 0.37 H new ATOM 0 HD3 ARG B 14 4.765 -7.080 0.174 1.00 0.37 H new ATOM 0 HE ARG B 14 6.623 -8.670 -1.537 1.00 0.86 H new ATOM 0 HH11 ARG B 14 5.429 -7.711 1.651 1.00 1.20 H new ATOM 0 HH12 ARG B 14 6.445 -8.880 2.501 1.00 1.20 H new ATOM 0 HH21 ARG B 14 7.931 -10.138 -0.439 1.00 1.04 H new ATOM 0 HH22 ARG B 14 7.856 -10.249 1.323 1.00 1.04 H new ATOM 1400 N ILE B 15 1.432 -4.002 -3.134 1.00 0.22 N ATOM 1401 CA ILE B 15 0.437 -2.976 -2.880 1.00 0.22 C ATOM 1402 C ILE B 15 -0.716 -3.071 -3.881 1.00 0.21 C ATOM 1403 O ILE B 15 -1.866 -2.785 -3.545 1.00 0.21 O ATOM 1404 CB ILE B 15 1.078 -1.564 -2.874 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.647 -0.798 -1.620 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.735 -0.776 -4.132 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.822 -0.422 -1.592 1.00 0.29 C ATOM 0 H ILE B 15 2.279 -3.666 -3.592 1.00 0.22 H new ATOM 0 HA ILE B 15 0.022 -3.146 -1.887 1.00 0.22 H new ATOM 0 HB ILE B 15 2.161 -1.690 -2.861 1.00 0.23 H new ATOM 0 HG12 ILE B 15 0.871 -1.405 -0.743 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.244 0.110 -1.540 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.205 0.207 -4.085 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.101 -1.312 -5.008 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.346 -0.658 -4.204 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -1.042 0.117 -0.671 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -1.051 0.213 -2.448 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.430 -1.326 -1.638 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.417 -3.494 -5.106 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.466 -3.779 -6.073 1.00 0.24 C ATOM 1421 C GLN B 16 -2.302 -4.937 -5.564 1.00 0.23 C ATOM 1422 O GLN B 16 -3.516 -4.962 -5.727 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.890 -4.119 -7.447 1.00 0.29 C ATOM 1424 CG GLN B 16 -0.223 -2.948 -8.140 1.00 0.92 C ATOM 1425 CD GLN B 16 0.254 -3.303 -9.531 1.00 1.21 C ATOM 1426 OE1 GLN B 16 1.477 -3.797 -9.623 1.00 1.80 O flip ATOM 1427 NE2 GLN B 16 -0.472 -3.140 -10.512 1.00 1.82 N flip ATOM 0 H GLN B 16 0.532 -3.645 -5.447 1.00 0.22 H new ATOM 0 HA GLN B 16 -2.083 -2.887 -6.187 1.00 0.24 H new ATOM 0 HB2 GLN B 16 -0.164 -4.925 -7.337 1.00 0.29 H new ATOM 0 HB3 GLN B 16 -1.691 -4.496 -8.083 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -0.925 -2.116 -8.200 1.00 0.92 H new ATOM 0 HG3 GLN B 16 0.624 -2.609 -7.543 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -1.409 -2.755 -10.394 1.00 1.82 H new ATOM 0 HE22 GLN B 16 -0.136 -3.390 -11.442 1.00 1.82 H new ATOM 1436 N THR B 17 -1.628 -5.874 -4.922 1.00 0.24 N ATOM 1437 CA THR B 17 -2.270 -7.021 -4.310 1.00 0.26 C ATOM 1438 C THR B 17 -2.961 -6.625 -3.006 1.00 0.24 C ATOM 1439 O THR B 17 -3.913 -7.270 -2.570 1.00 0.34 O ATOM 1440 CB THR B 17 -1.242 -8.147 -4.064 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.585 -8.479 -5.297 1.00 0.32 O ATOM 1442 CG2 THR B 17 -1.898 -9.394 -3.488 1.00 0.43 C ATOM 0 H THR B 17 -0.614 -5.860 -4.810 1.00 0.24 H new ATOM 0 HA THR B 17 -3.031 -7.394 -4.995 1.00 0.26 H new ATOM 0 HB THR B 17 -0.516 -7.782 -3.338 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.036 -7.761 -5.540 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.142 -10.163 -3.329 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.372 -9.150 -2.537 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.651 -9.764 -4.184 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.500 -5.547 -2.398 1.00 0.20 N ATOM 1451 CA ALA B 18 -3.091 -5.064 -1.173 1.00 0.21 C ATOM 1452 C ALA B 18 -4.478 -4.535 -1.464 1.00 0.19 C ATOM 1453 O ALA B 18 -5.395 -4.698 -0.670 1.00 0.25 O ATOM 1454 CB ALA B 18 -2.225 -3.983 -0.545 1.00 0.26 C ATOM 0 H ALA B 18 -1.715 -4.991 -2.738 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.161 -5.886 -0.461 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.690 -3.634 0.377 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -1.239 -4.391 -0.322 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -2.124 -3.149 -1.239 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.629 -3.929 -2.633 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.871 -3.264 -2.967 1.00 0.24 C ATOM 1462 C VAL B 19 -6.633 -3.916 -4.121 1.00 0.25 C ATOM 1463 O VAL B 19 -7.707 -3.441 -4.481 1.00 0.32 O ATOM 1464 CB VAL B 19 -5.618 -1.791 -3.316 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -4.820 -1.107 -2.221 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -4.910 -1.667 -4.651 1.00 1.78 C ATOM 0 H VAL B 19 -3.912 -3.886 -3.357 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.493 -3.352 -2.076 1.00 0.24 H new ATOM 0 HB VAL B 19 -6.584 -1.292 -3.396 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -4.653 -0.064 -2.490 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -5.373 -1.156 -1.283 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -3.860 -1.610 -2.102 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -4.741 -0.614 -4.877 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -3.953 -2.186 -4.605 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -5.526 -2.112 -5.432 1.00 1.78 H new ATOM 1476 N GLU B 20 -6.105 -4.993 -4.701 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.767 -5.638 -5.841 1.00 0.31 C ATOM 1478 C GLU B 20 -8.161 -6.120 -5.452 1.00 0.31 C ATOM 1479 O GLU B 20 -9.089 -6.094 -6.257 1.00 0.33 O ATOM 1480 CB GLU B 20 -5.910 -6.783 -6.415 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.288 -7.715 -5.380 1.00 0.42 C ATOM 1482 CD GLU B 20 -6.205 -8.826 -4.918 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -6.403 -9.794 -5.676 1.00 1.61 O ATOM 1484 OE2 GLU B 20 -6.723 -8.741 -3.789 1.00 1.66 O ATOM 0 H GLU B 20 -5.233 -5.435 -4.408 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.879 -4.896 -6.631 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.530 -7.376 -7.088 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -5.111 -6.350 -7.016 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.384 -8.156 -5.801 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -4.983 -7.127 -4.514 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.276 -6.549 -4.211 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.559 -6.904 -3.625 1.00 0.33 C ATOM 1493 C ALA B 21 -10.549 -5.739 -3.715 1.00 0.27 C ATOM 1494 O ALA B 21 -11.668 -5.899 -4.200 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.365 -7.332 -2.180 1.00 0.38 C ATOM 0 H ALA B 21 -7.484 -6.662 -3.578 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.978 -7.737 -4.189 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.329 -7.597 -1.746 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.701 -8.196 -2.142 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.925 -6.511 -1.613 1.00 0.38 H new ATOM 1501 N ALA B 22 -10.124 -4.568 -3.256 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.980 -3.382 -3.254 1.00 0.27 C ATOM 1503 C ALA B 22 -11.142 -2.778 -4.650 1.00 0.27 C ATOM 1504 O ALA B 22 -12.158 -2.152 -4.949 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.458 -2.348 -2.278 1.00 0.33 C ATOM 0 H ALA B 22 -9.189 -4.411 -2.879 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.970 -3.702 -2.930 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -11.109 -1.474 -2.292 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.440 -2.772 -1.274 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.449 -2.054 -2.565 1.00 0.33 H new ATOM 1511 N MET B 23 -10.127 -2.915 -5.489 1.00 0.28 N ATOM 1512 CA MET B 23 -10.230 -2.452 -6.871 1.00 0.32 C ATOM 1513 C MET B 23 -11.198 -3.342 -7.641 1.00 0.33 C ATOM 1514 O MET B 23 -12.039 -2.856 -8.396 1.00 0.37 O ATOM 1515 CB MET B 23 -8.861 -2.430 -7.558 1.00 0.35 C ATOM 1516 CG MET B 23 -7.880 -1.441 -6.946 1.00 0.41 C ATOM 1517 SD MET B 23 -8.534 0.239 -6.845 1.00 0.76 S ATOM 1518 CE MET B 23 -8.682 0.429 -5.070 1.00 0.77 C ATOM 0 H MET B 23 -9.231 -3.337 -5.245 1.00 0.28 H new ATOM 0 HA MET B 23 -10.609 -1.430 -6.862 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.428 -3.429 -7.516 1.00 0.35 H new ATOM 0 HB3 MET B 23 -8.998 -2.186 -8.612 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.609 -1.779 -5.946 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.965 -1.433 -7.538 1.00 0.41 H new ATOM 0 HE1 MET B 23 -9.711 0.233 -4.768 1.00 0.77 H new ATOM 0 HE2 MET B 23 -8.017 -0.276 -4.572 1.00 0.77 H new ATOM 0 HE3 MET B 23 -8.408 1.446 -4.789 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.079 -4.647 -7.424 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.011 -5.593 -8.005 1.00 0.39 C ATOM 1530 C GLY B 24 -13.384 -5.516 -7.367 1.00 0.43 C ATOM 1531 O GLY B 24 -14.354 -6.067 -7.899 1.00 0.63 O ATOM 0 H GLY B 24 -10.347 -5.068 -6.851 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.099 -5.402 -9.075 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.617 -6.603 -7.893 1.00 0.39 H new ATOM 1535 N MET B 25 -13.464 -4.846 -6.217 1.00 0.42 N ATOM 1536 CA MET B 25 -14.736 -4.603 -5.548 1.00 0.46 C ATOM 1537 C MET B 25 -15.690 -3.920 -6.510 1.00 0.44 C ATOM 1538 O MET B 25 -15.341 -2.931 -7.152 1.00 0.48 O ATOM 1539 CB MET B 25 -14.545 -3.722 -4.311 1.00 0.59 C ATOM 1540 CG MET B 25 -15.825 -3.498 -3.522 1.00 0.60 C ATOM 1541 SD MET B 25 -15.721 -2.120 -2.363 1.00 0.99 S ATOM 1542 CE MET B 25 -14.620 -2.804 -1.135 1.00 0.45 C ATOM 0 H MET B 25 -12.655 -4.461 -5.729 1.00 0.42 H new ATOM 0 HA MET B 25 -15.147 -5.561 -5.230 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.802 -4.181 -3.659 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.145 -2.757 -4.621 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.645 -3.317 -4.217 1.00 0.60 H new ATOM 0 HG3 MET B 25 -16.068 -4.407 -2.973 1.00 0.60 H new ATOM 0 HE1 MET B 25 -15.068 -2.700 -0.147 1.00 0.45 H new ATOM 0 HE2 MET B 25 -14.449 -3.860 -1.347 1.00 0.45 H new ATOM 0 HE3 MET B 25 -13.670 -2.271 -1.161 1.00 0.45 H new ATOM 1552 N SER B 26 -16.891 -4.463 -6.605 1.00 0.51 N ATOM 1553 CA SER B 26 -17.860 -4.002 -7.572 1.00 0.60 C ATOM 1554 C SER B 26 -18.505 -2.690 -7.156 1.00 0.83 C ATOM 1555 O SER B 26 -18.664 -1.789 -7.974 1.00 1.79 O ATOM 1556 CB SER B 26 -18.927 -5.072 -7.784 1.00 0.63 C ATOM 1557 OG SER B 26 -18.366 -6.246 -8.344 1.00 1.43 O ATOM 0 H SER B 26 -17.216 -5.230 -6.017 1.00 0.51 H new ATOM 0 HA SER B 26 -17.333 -3.819 -8.508 1.00 0.60 H new ATOM 0 HB2 SER B 26 -19.402 -5.310 -6.832 1.00 0.63 H new ATOM 0 HB3 SER B 26 -19.706 -4.688 -8.442 1.00 0.63 H new ATOM 0 HG SER B 26 -19.069 -6.917 -8.469 1.00 1.43 H new ATOM 1563 N TYR B 27 -18.888 -2.622 -5.876 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.567 -1.462 -5.266 1.00 0.47 C ATOM 1565 C TYR B 27 -20.775 -0.975 -6.077 1.00 0.48 C ATOM 1566 O TYR B 27 -21.369 0.047 -5.756 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.589 -0.303 -4.929 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.806 0.299 -6.084 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -18.331 1.338 -6.846 1.00 1.16 C ATOM 1570 CD2 TYR B 27 -16.532 -0.161 -6.401 1.00 1.36 C ATOM 1571 CE1 TYR B 27 -17.619 1.892 -7.888 1.00 1.18 C ATOM 1572 CE2 TYR B 27 -15.816 0.391 -7.443 1.00 1.39 C ATOM 1573 CZ TYR B 27 -16.362 1.417 -8.182 1.00 0.54 C ATOM 1574 OH TYR B 27 -15.649 1.967 -9.222 1.00 0.68 O ATOM 0 H TYR B 27 -18.734 -3.385 -5.217 1.00 0.48 H new ATOM 0 HA TYR B 27 -19.962 -1.825 -4.317 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -19.161 0.495 -4.455 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.876 -0.666 -4.189 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -19.316 1.718 -6.617 1.00 1.16 H new ATOM 0 HD2 TYR B 27 -16.097 -0.962 -5.823 1.00 1.36 H new ATOM 0 HE1 TYR B 27 -18.046 2.695 -8.471 1.00 1.18 H new ATOM 0 HE2 TYR B 27 -14.830 0.019 -7.679 1.00 1.39 H new ATOM 0 HH TYR B 27 -14.780 1.519 -9.296 1.00 0.68 H new ATOM 1584 N GLN B 28 -21.168 -1.737 -7.092 1.00 0.53 N ATOM 1585 CA GLN B 28 -22.391 -1.462 -7.831 1.00 0.62 C ATOM 1586 C GLN B 28 -23.571 -1.998 -7.033 1.00 0.70 C ATOM 1587 O GLN B 28 -24.737 -1.756 -7.355 1.00 0.86 O ATOM 1588 CB GLN B 28 -22.340 -2.105 -9.216 1.00 0.72 C ATOM 1589 CG GLN B 28 -22.210 -3.617 -9.173 1.00 1.34 C ATOM 1590 CD GLN B 28 -22.131 -4.239 -10.553 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -22.677 -3.709 -11.519 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -21.466 -5.376 -10.649 1.00 2.12 N ATOM 0 H GLN B 28 -20.653 -2.554 -7.422 1.00 0.53 H new ATOM 0 HA GLN B 28 -22.501 -0.387 -7.971 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -23.244 -1.841 -9.765 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -21.498 -1.691 -9.770 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -21.318 -3.884 -8.607 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -23.063 -4.035 -8.639 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -21.028 -5.782 -9.822 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -21.391 -5.848 -11.550 1.00 2.12 H new ATOM 1601 N ASP B 29 -23.231 -2.733 -5.984 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.191 -3.210 -5.005 1.00 0.84 C ATOM 1603 C ASP B 29 -24.431 -2.129 -3.957 1.00 0.69 C ATOM 1604 O ASP B 29 -25.172 -2.323 -2.995 1.00 0.84 O ATOM 1605 CB ASP B 29 -23.697 -4.512 -4.348 1.00 1.06 C ATOM 1606 CG ASP B 29 -22.194 -4.534 -4.084 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -21.611 -3.472 -3.780 1.00 2.56 O ATOM 1608 OD2 ASP B 29 -21.582 -5.624 -4.208 1.00 2.58 O ATOM 0 H ASP B 29 -22.271 -3.017 -5.789 1.00 0.69 H new ATOM 0 HA ASP B 29 -25.133 -3.429 -5.507 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -24.225 -4.656 -3.405 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -23.957 -5.354 -4.990 1.00 1.06 H new ATOM 1613 N ALA B 30 -23.797 -0.983 -4.175 1.00 0.68 N ATOM 1614 CA ALA B 30 -23.951 0.179 -3.317 1.00 0.53 C ATOM 1615 C ALA B 30 -24.406 1.376 -4.154 1.00 0.54 C ATOM 1616 O ALA B 30 -23.968 1.528 -5.293 1.00 0.64 O ATOM 1617 CB ALA B 30 -22.629 0.479 -2.621 1.00 0.46 C ATOM 0 H ALA B 30 -23.159 -0.836 -4.957 1.00 0.68 H new ATOM 0 HA ALA B 30 -24.706 -0.021 -2.557 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -22.746 1.351 -1.978 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.332 -0.379 -2.018 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -21.862 0.680 -3.369 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.319 2.215 -3.614 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.813 3.415 -4.295 1.00 0.63 C ATOM 1625 C PRO B 31 -24.723 4.252 -4.935 1.00 0.53 C ATOM 1626 O PRO B 31 -23.587 4.272 -4.459 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.450 4.234 -3.188 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.848 3.251 -2.143 1.00 0.62 C ATOM 1629 CD PRO B 31 -25.971 2.032 -2.310 1.00 0.51 C ATOM 0 HA PRO B 31 -26.482 3.128 -5.107 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -25.749 4.968 -2.790 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -27.314 4.786 -3.556 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.725 3.678 -1.148 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.900 2.984 -2.248 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.237 1.960 -1.507 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.560 1.115 -2.287 1.00 0.51 H new ATOM 1637 N ASN B 32 -25.089 4.966 -5.982 1.00 0.61 N ATOM 1638 CA ASN B 32 -24.135 5.695 -6.801 1.00 0.62 C ATOM 1639 C ASN B 32 -23.154 6.539 -5.975 1.00 0.59 C ATOM 1640 O ASN B 32 -21.944 6.425 -6.154 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.867 6.556 -7.840 1.00 0.73 C ATOM 1642 CG ASN B 32 -25.992 7.417 -7.276 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -25.961 7.846 -6.123 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -26.995 7.690 -8.093 1.00 2.04 N ATOM 0 H ASN B 32 -26.057 5.058 -6.291 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.531 4.951 -7.320 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -24.141 7.206 -8.330 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -25.279 5.902 -8.609 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -27.770 8.270 -7.773 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -26.993 7.320 -9.044 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.657 7.341 -5.049 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.804 8.265 -4.306 1.00 0.61 C ATOM 1653 C ASN B 33 -21.994 7.565 -3.217 1.00 0.53 C ATOM 1654 O ASN B 33 -20.857 7.951 -2.948 1.00 0.50 O ATOM 1655 CB ASN B 33 -23.625 9.405 -3.702 1.00 0.72 C ATOM 1656 CG ASN B 33 -24.590 8.943 -2.619 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -25.710 8.523 -2.908 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -24.170 9.026 -1.366 1.00 2.16 N ATOM 0 H ASN B 33 -24.644 7.374 -4.793 1.00 0.60 H new ATOM 0 HA ASN B 33 -22.096 8.679 -5.024 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -22.948 10.149 -3.282 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -24.188 9.898 -4.495 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -24.782 8.737 -0.603 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -23.235 9.379 -1.164 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.553 6.538 -2.590 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.815 5.822 -1.555 1.00 0.50 C ATOM 1667 C VAL B 34 -20.735 4.980 -2.212 1.00 0.43 C ATOM 1668 O VAL B 34 -19.625 4.842 -1.701 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.714 4.957 -0.639 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.888 5.776 -0.136 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -23.188 3.697 -1.332 1.00 0.59 C ATOM 0 H VAL B 34 -23.493 6.187 -2.773 1.00 0.50 H new ATOM 0 HA VAL B 34 -21.366 6.566 -0.897 1.00 0.50 H new ATOM 0 HB VAL B 34 -22.113 4.641 0.214 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -24.514 5.158 0.507 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -23.519 6.631 0.430 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -24.476 6.128 -0.984 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.815 3.121 -0.651 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.764 3.964 -2.218 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -22.327 3.097 -1.626 1.00 0.59 H new ATOM 1681 N ARG B 35 -21.070 4.442 -3.373 1.00 0.43 N ATOM 1682 CA ARG B 35 -20.126 3.698 -4.171 1.00 0.44 C ATOM 1683 C ARG B 35 -19.092 4.652 -4.755 1.00 0.39 C ATOM 1684 O ARG B 35 -17.967 4.266 -5.028 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.854 2.884 -5.242 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.024 3.570 -6.591 1.00 0.52 C ATOM 1687 CD ARG B 35 -21.939 2.766 -7.510 1.00 0.59 C ATOM 1688 NE ARG B 35 -21.770 3.125 -8.919 1.00 1.08 N ATOM 1689 CZ ARG B 35 -22.613 2.763 -9.895 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -23.729 2.096 -9.615 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -22.338 3.074 -11.157 1.00 2.15 N ATOM 0 H ARG B 35 -22.002 4.512 -3.782 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.594 2.980 -3.546 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.311 1.951 -5.395 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.841 2.619 -4.863 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -21.438 4.568 -6.445 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.050 3.695 -7.063 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -21.735 1.703 -7.382 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.977 2.929 -7.218 1.00 0.59 H new ATOM 0 HE ARG B 35 -20.958 3.687 -9.174 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -23.950 1.855 -8.649 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -24.364 1.826 -10.366 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -21.486 3.588 -11.382 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -22.979 2.799 -11.901 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.504 5.897 -4.984 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.570 6.976 -5.306 1.00 0.36 C ATOM 1707 C ARG B 36 -17.575 7.206 -4.180 1.00 0.34 C ATOM 1708 O ARG B 36 -16.481 7.704 -4.406 1.00 0.33 O ATOM 1709 CB ARG B 36 -19.283 8.279 -5.620 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.486 8.553 -7.102 1.00 0.57 C ATOM 1711 CD ARG B 36 -19.695 7.286 -7.907 1.00 0.75 C ATOM 1712 NE ARG B 36 -18.451 6.696 -8.396 1.00 1.40 N ATOM 1713 CZ ARG B 36 -18.406 5.784 -9.365 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -19.514 5.464 -10.022 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -17.254 5.233 -9.717 1.00 2.88 N ATOM 0 H ARG B 36 -20.482 6.185 -4.953 1.00 0.38 H new ATOM 0 HA ARG B 36 -18.033 6.654 -6.198 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -20.256 8.272 -5.129 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.714 9.102 -5.187 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.348 9.207 -7.232 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -18.619 9.087 -7.491 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -20.217 6.555 -7.290 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -20.342 7.507 -8.756 1.00 0.75 H new ATOM 0 HE ARG B 36 -17.573 6.998 -7.974 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -20.397 5.916 -9.784 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -19.483 4.766 -10.765 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -16.392 5.507 -9.245 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -17.229 4.535 -10.460 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.969 6.935 -2.953 1.00 0.34 N ATOM 1730 CA ASP B 37 -17.008 7.013 -1.865 1.00 0.34 C ATOM 1731 C ASP B 37 -16.030 5.848 -1.964 1.00 0.28 C ATOM 1732 O ASP B 37 -14.870 5.962 -1.570 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.676 7.090 -0.492 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.739 8.521 0.013 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -16.672 9.089 0.337 1.00 1.39 O ATOM 1736 OD2 ASP B 37 -18.848 9.096 0.072 1.00 1.47 O ATOM 0 H ASP B 37 -18.916 6.667 -2.685 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.453 7.946 -1.968 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.684 6.679 -0.552 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -17.123 6.476 0.219 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.491 4.730 -2.525 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.571 3.680 -2.960 1.00 0.24 C ATOM 1743 C LEU B 38 -14.790 4.160 -4.176 1.00 0.23 C ATOM 1744 O LEU B 38 -13.707 3.664 -4.455 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.273 2.357 -3.305 1.00 0.33 C ATOM 1746 CG LEU B 38 -16.862 1.573 -2.132 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -16.052 1.771 -0.867 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -18.300 1.955 -1.910 1.00 0.49 C ATOM 0 H LEU B 38 -17.478 4.530 -2.687 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.907 3.480 -2.119 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -17.076 2.570 -4.011 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -15.558 1.715 -3.820 1.00 0.33 H new ATOM 0 HG LEU B 38 -16.819 0.514 -2.386 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.500 1.199 -0.055 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -15.030 1.428 -1.032 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -16.042 2.829 -0.603 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.702 1.387 -1.071 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -18.364 3.021 -1.690 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.878 1.735 -2.808 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.367 5.101 -4.919 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.658 5.744 -6.018 1.00 0.26 C ATOM 1762 C ASP B 39 -13.511 6.577 -5.461 1.00 0.24 C ATOM 1763 O ASP B 39 -12.435 6.631 -6.039 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.583 6.612 -6.864 1.00 0.30 C ATOM 1765 CG ASP B 39 -14.917 7.096 -8.133 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.924 6.342 -9.127 1.00 1.53 O ATOM 1767 OD2 ASP B 39 -14.405 8.225 -8.155 1.00 1.50 O ATOM 0 H ASP B 39 -16.321 5.433 -4.779 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.265 4.964 -6.671 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.477 6.044 -7.120 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -15.909 7.471 -6.277 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.759 7.212 -4.315 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.714 7.903 -3.557 1.00 0.24 C ATOM 1774 C ASN B 40 -11.678 6.902 -3.092 1.00 0.24 C ATOM 1775 O ASN B 40 -10.476 7.150 -3.191 1.00 0.26 O ATOM 1776 CB ASN B 40 -13.298 8.623 -2.337 1.00 0.26 C ATOM 1777 CG ASN B 40 -14.144 9.825 -2.701 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.883 10.512 -3.689 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -15.170 10.087 -1.906 1.00 1.29 N ATOM 0 H ASN B 40 -14.684 7.262 -3.888 1.00 0.25 H new ATOM 0 HA ASN B 40 -12.255 8.644 -4.212 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.904 7.921 -1.764 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.483 8.944 -1.688 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.778 10.882 -2.103 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.353 9.493 -1.097 1.00 1.29 H new ATOM 1786 N LEU B 41 -12.155 5.770 -2.585 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.278 4.680 -2.193 1.00 0.28 C ATOM 1788 C LEU B 41 -10.430 4.255 -3.384 1.00 0.30 C ATOM 1789 O LEU B 41 -9.231 4.055 -3.259 1.00 0.37 O ATOM 1790 CB LEU B 41 -12.089 3.493 -1.674 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.257 2.348 -1.095 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.423 2.842 0.076 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.155 1.199 -0.668 1.00 1.04 C ATOM 0 H LEU B 41 -13.147 5.586 -2.437 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.627 5.025 -1.390 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.775 3.849 -0.905 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.698 3.104 -2.490 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.582 1.983 -1.869 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -9.836 2.017 0.478 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -9.753 3.633 -0.262 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -11.081 3.232 0.853 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.545 0.394 -0.259 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.855 1.547 0.092 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.710 0.831 -1.531 1.00 1.04 H new ATOM 1805 N HIS B 42 -11.064 4.147 -4.544 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.367 3.780 -5.768 1.00 0.32 C ATOM 1807 C HIS B 42 -9.337 4.823 -6.137 1.00 0.38 C ATOM 1808 O HIS B 42 -8.160 4.517 -6.220 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.353 3.592 -6.925 1.00 0.32 C ATOM 1810 CG HIS B 42 -11.836 2.188 -7.047 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.213 1.618 -8.242 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -11.985 1.236 -6.109 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -12.575 0.364 -8.031 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.445 0.107 -6.740 1.00 0.39 N ATOM 0 H HIS B 42 -12.064 4.309 -4.662 1.00 0.27 H new ATOM 0 HA HIS B 42 -9.858 2.834 -5.585 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.207 4.254 -6.781 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -10.873 3.889 -7.858 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.780 1.340 -5.054 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -12.918 -0.331 -8.783 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.652 -0.783 -6.288 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.779 6.057 -6.296 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.902 7.130 -6.721 1.00 0.37 C ATOM 1825 C ALA B 43 -7.729 7.294 -5.770 1.00 0.38 C ATOM 1826 O ALA B 43 -6.588 7.333 -6.200 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.677 8.434 -6.825 1.00 0.42 C ATOM 0 H ALA B 43 -10.746 6.341 -6.136 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.507 6.870 -7.703 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -9.006 9.231 -7.145 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.481 8.322 -7.552 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -10.100 8.684 -5.852 1.00 0.42 H new ATOM 1833 N CYS B 44 -8.013 7.377 -4.481 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.972 7.633 -3.499 1.00 0.40 C ATOM 1835 C CYS B 44 -6.088 6.413 -3.226 1.00 0.35 C ATOM 1836 O CYS B 44 -4.898 6.567 -2.986 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.564 8.156 -2.202 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.692 9.549 -2.426 1.00 1.64 S ATOM 0 H CYS B 44 -8.950 7.272 -4.091 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.329 8.398 -3.933 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -8.096 7.346 -1.704 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.753 8.460 -1.540 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.855 9.109 -2.804 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.653 5.208 -3.248 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.854 4.010 -2.980 1.00 0.29 C ATOM 1846 C LEU B 45 -5.055 3.619 -4.209 1.00 0.28 C ATOM 1847 O LEU B 45 -3.917 3.166 -4.110 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.727 2.841 -2.532 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.498 2.388 -1.092 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.046 1.987 -0.900 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -6.881 3.492 -0.116 1.00 1.77 C ATOM 0 H LEU B 45 -7.639 5.034 -3.444 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.168 4.249 -2.168 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.774 3.122 -2.648 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -6.548 1.996 -3.197 1.00 0.27 H new ATOM 0 HG LEU B 45 -7.131 1.523 -0.892 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -4.891 1.665 0.130 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -4.802 1.168 -1.577 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -4.402 2.840 -1.115 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -6.711 3.150 0.905 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -6.273 4.376 -0.309 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.934 3.742 -0.244 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.659 3.807 -5.366 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.965 3.627 -6.626 1.00 0.33 C ATOM 1865 C ASN B 46 -3.924 4.746 -6.787 1.00 0.36 C ATOM 1866 O ASN B 46 -2.900 4.584 -7.459 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.994 3.591 -7.770 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.412 3.955 -9.126 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -5.366 5.127 -9.500 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -4.991 2.956 -9.885 1.00 0.98 N ATOM 0 H ASN B 46 -6.636 4.086 -5.459 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.428 2.679 -6.650 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.427 2.592 -7.826 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.807 4.278 -7.537 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -4.613 3.145 -10.813 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -5.045 1.997 -9.542 1.00 0.98 H new ATOM 1877 N LYS B 47 -4.165 5.852 -6.080 1.00 0.35 N ATOM 1878 CA LYS B 47 -3.226 6.966 -6.008 1.00 0.37 C ATOM 1879 C LYS B 47 -2.081 6.598 -5.073 1.00 0.36 C ATOM 1880 O LYS B 47 -0.920 6.910 -5.329 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.949 8.222 -5.496 1.00 0.44 C ATOM 1882 CG LYS B 47 -3.041 9.373 -5.113 1.00 0.92 C ATOM 1883 CD LYS B 47 -3.832 10.611 -4.716 1.00 0.81 C ATOM 1884 CE LYS B 47 -4.629 10.390 -3.442 1.00 1.08 C ATOM 1885 NZ LYS B 47 -5.360 11.616 -3.031 1.00 1.51 N ATOM 0 H LYS B 47 -5.019 5.998 -5.542 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.825 7.174 -7.000 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -4.640 8.565 -6.267 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.550 7.949 -4.628 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -2.401 9.070 -4.285 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -2.386 9.613 -5.951 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -3.149 11.449 -4.576 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -4.509 10.884 -5.525 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -5.339 9.577 -3.593 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -3.957 10.082 -2.641 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -5.892 11.427 -2.158 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -4.681 12.385 -2.862 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -6.020 11.896 -3.785 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.437 5.918 -3.989 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.473 5.422 -3.020 1.00 0.41 C ATOM 1901 C ALA B 48 -0.524 4.430 -3.667 1.00 0.38 C ATOM 1902 O ALA B 48 0.641 4.331 -3.290 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.185 4.782 -1.837 1.00 0.49 C ATOM 0 H ALA B 48 -3.406 5.696 -3.759 1.00 0.40 H new ATOM 0 HA ALA B 48 -0.890 6.268 -2.656 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.447 4.417 -1.123 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.824 5.521 -1.353 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.795 3.949 -2.187 1.00 0.49 H new ATOM 1909 N LYS B 49 -1.018 3.699 -4.657 1.00 0.39 N ATOM 1910 CA LYS B 49 -0.178 2.769 -5.383 1.00 0.40 C ATOM 1911 C LYS B 49 0.788 3.539 -6.263 1.00 0.44 C ATOM 1912 O LYS B 49 1.935 3.140 -6.447 1.00 0.53 O ATOM 1913 CB LYS B 49 -1.010 1.829 -6.249 1.00 0.38 C ATOM 1914 CG LYS B 49 -2.013 0.990 -5.478 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.510 -0.155 -6.336 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.394 0.337 -7.471 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.510 -0.671 -8.559 1.00 0.93 N ATOM 0 H LYS B 49 -1.988 3.734 -4.970 1.00 0.39 H new ATOM 0 HA LYS B 49 0.371 2.170 -4.657 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.544 2.418 -6.994 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.338 1.163 -6.791 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.550 0.600 -4.571 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.853 1.611 -5.166 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.659 -0.698 -6.747 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -3.069 -0.858 -5.718 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.386 0.570 -7.084 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -2.984 1.263 -7.875 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -4.120 -0.298 -9.314 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -2.566 -0.875 -8.946 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -3.924 -1.546 -8.179 1.00 0.93 H new ATOM 1931 N LEU B 50 0.308 4.648 -6.808 1.00 0.40 N ATOM 1932 CA LEU B 50 1.133 5.517 -7.632 1.00 0.45 C ATOM 1933 C LEU B 50 2.224 6.190 -6.796 1.00 0.39 C ATOM 1934 O LEU B 50 3.381 6.260 -7.214 1.00 0.41 O ATOM 1935 CB LEU B 50 0.258 6.569 -8.321 1.00 0.54 C ATOM 1936 CG LEU B 50 0.378 6.621 -9.837 1.00 1.03 C ATOM 1937 CD1 LEU B 50 1.759 7.083 -10.219 1.00 2.10 C ATOM 1938 CD2 LEU B 50 0.080 5.256 -10.439 1.00 0.71 C ATOM 0 H LEU B 50 -0.654 4.967 -6.693 1.00 0.40 H new ATOM 0 HA LEU B 50 1.622 4.910 -8.394 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.783 6.378 -8.062 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.512 7.550 -7.919 1.00 0.54 H new ATOM 0 HG LEU B 50 -0.351 7.329 -10.230 1.00 1.03 H new ATOM 0 HD11 LEU B 50 1.843 7.120 -11.305 1.00 2.10 H new ATOM 0 HD12 LEU B 50 1.937 8.077 -9.808 1.00 2.10 H new ATOM 0 HD13 LEU B 50 2.498 6.388 -9.821 1.00 2.10 H new ATOM 0 HD21 LEU B 50 0.170 5.309 -11.524 1.00 0.71 H new ATOM 0 HD22 LEU B 50 0.789 4.525 -10.052 1.00 0.71 H new ATOM 0 HD23 LEU B 50 -0.933 4.955 -10.173 1.00 0.71 H new ATOM 1950 N THR B 51 1.854 6.672 -5.615 1.00 0.36 N ATOM 1951 CA THR B 51 2.800 7.336 -4.727 1.00 0.36 C ATOM 1952 C THR B 51 3.867 6.370 -4.233 1.00 0.33 C ATOM 1953 O THR B 51 5.052 6.694 -4.217 1.00 0.35 O ATOM 1954 CB THR B 51 2.090 7.964 -3.513 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.189 7.023 -2.925 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.325 9.205 -3.923 1.00 0.42 C ATOM 0 H THR B 51 0.903 6.615 -5.250 1.00 0.36 H new ATOM 0 HA THR B 51 3.273 8.126 -5.310 1.00 0.36 H new ATOM 0 HB THR B 51 2.850 8.242 -2.783 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.309 6.147 -3.347 1.00 0.46 H new ATOM 0 HG21 THR B 51 0.831 9.633 -3.051 1.00 0.42 H new ATOM 0 HG22 THR B 51 2.016 9.936 -4.344 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.577 8.941 -4.670 1.00 0.42 H new ATOM 1964 N VAL B 52 3.442 5.179 -3.842 1.00 0.30 N ATOM 1965 CA VAL B 52 4.360 4.173 -3.332 1.00 0.28 C ATOM 1966 C VAL B 52 5.194 3.593 -4.460 1.00 0.28 C ATOM 1967 O VAL B 52 6.402 3.388 -4.310 1.00 0.29 O ATOM 1968 CB VAL B 52 3.602 3.052 -2.585 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.541 1.935 -2.173 1.00 0.31 C ATOM 1970 CG2 VAL B 52 2.886 3.616 -1.367 1.00 0.33 C ATOM 0 H VAL B 52 2.466 4.885 -3.868 1.00 0.30 H new ATOM 0 HA VAL B 52 5.028 4.658 -2.620 1.00 0.28 H new ATOM 0 HB VAL B 52 2.861 2.636 -3.268 1.00 0.29 H new ATOM 0 HG11 VAL B 52 3.979 1.161 -1.650 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.008 1.507 -3.060 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.312 2.333 -1.513 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.357 2.814 -0.852 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.615 4.063 -0.691 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.172 4.376 -1.684 1.00 0.33 H new ATOM 1980 N GLY B 53 4.545 3.343 -5.585 1.00 0.35 N ATOM 1981 CA GLY B 53 5.254 2.913 -6.768 1.00 0.43 C ATOM 1982 C GLY B 53 6.374 3.869 -7.117 1.00 0.39 C ATOM 1983 O GLY B 53 7.500 3.451 -7.384 1.00 0.39 O ATOM 0 H GLY B 53 3.535 3.431 -5.699 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.662 1.915 -6.607 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.559 2.842 -7.605 1.00 0.43 H new ATOM 1987 N ARG B 54 6.074 5.160 -7.086 1.00 0.39 N ATOM 1988 CA ARG B 54 7.079 6.175 -7.362 1.00 0.38 C ATOM 1989 C ARG B 54 8.000 6.437 -6.187 1.00 0.30 C ATOM 1990 O ARG B 54 9.040 7.067 -6.357 1.00 0.29 O ATOM 1991 CB ARG B 54 6.458 7.466 -7.854 1.00 0.50 C ATOM 1992 CG ARG B 54 6.321 7.499 -9.362 1.00 1.18 C ATOM 1993 CD ARG B 54 5.314 8.541 -9.803 1.00 1.37 C ATOM 1994 NE ARG B 54 5.117 8.541 -11.249 1.00 1.71 N ATOM 1995 CZ ARG B 54 4.433 9.481 -11.904 1.00 2.21 C ATOM 1996 NH1 ARG B 54 3.935 10.525 -11.250 1.00 2.36 N ATOM 1997 NH2 ARG B 54 4.264 9.382 -13.215 1.00 2.84 N ATOM 0 H ARG B 54 5.147 5.527 -6.873 1.00 0.39 H new ATOM 0 HA ARG B 54 7.696 5.766 -8.162 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.475 7.590 -7.399 1.00 0.50 H new ATOM 0 HB3 ARG B 54 7.069 8.308 -7.528 1.00 0.50 H new ATOM 0 HG2 ARG B 54 7.290 7.714 -9.812 1.00 1.18 H new ATOM 0 HG3 ARG B 54 6.013 6.518 -9.722 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.361 8.355 -9.308 1.00 1.37 H new ATOM 0 HD3 ARG B 54 5.651 9.527 -9.484 1.00 1.37 H new ATOM 0 HE ARG B 54 5.526 7.779 -11.790 1.00 1.71 H new ATOM 0 HH11 ARG B 54 4.075 10.610 -10.243 1.00 2.36 H new ATOM 0 HH12 ARG B 54 3.413 11.241 -11.755 1.00 2.36 H new ATOM 0 HH21 ARG B 54 4.656 8.588 -13.721 1.00 2.84 H new ATOM 0 HH22 ARG B 54 3.741 10.100 -13.717 1.00 2.84 H new ATOM 2011 N MET B 55 7.627 6.001 -4.997 1.00 0.30 N ATOM 2012 CA MET B 55 8.549 6.070 -3.879 1.00 0.29 C ATOM 2013 C MET B 55 9.675 5.084 -4.129 1.00 0.25 C ATOM 2014 O MET B 55 10.841 5.371 -3.875 1.00 0.26 O ATOM 2015 CB MET B 55 7.859 5.774 -2.545 1.00 0.31 C ATOM 2016 CG MET B 55 8.768 6.010 -1.349 1.00 0.33 C ATOM 2017 SD MET B 55 9.360 7.713 -1.267 1.00 0.76 S ATOM 2018 CE MET B 55 10.599 7.580 0.020 1.00 0.39 C ATOM 0 H MET B 55 6.712 5.604 -4.782 1.00 0.30 H new ATOM 0 HA MET B 55 8.941 7.084 -3.806 1.00 0.29 H new ATOM 0 HB2 MET B 55 6.973 6.402 -2.452 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.518 4.739 -2.539 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.229 5.770 -0.432 1.00 0.33 H new ATOM 0 HG3 MET B 55 9.621 5.333 -1.404 1.00 0.33 H new ATOM 0 HE1 MET B 55 10.943 8.576 0.299 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.167 7.088 0.892 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.442 6.994 -0.346 1.00 0.39 H new ATOM 2028 N VAL B 56 9.310 3.931 -4.669 1.00 0.25 N ATOM 2029 CA VAL B 56 10.288 2.959 -5.121 1.00 0.25 C ATOM 2030 C VAL B 56 11.105 3.546 -6.267 1.00 0.23 C ATOM 2031 O VAL B 56 12.327 3.409 -6.305 1.00 0.23 O ATOM 2032 CB VAL B 56 9.611 1.656 -5.584 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.643 0.656 -6.080 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.782 1.060 -4.456 1.00 0.34 C ATOM 0 H VAL B 56 8.340 3.647 -4.804 1.00 0.25 H new ATOM 0 HA VAL B 56 10.943 2.723 -4.282 1.00 0.25 H new ATOM 0 HB VAL B 56 8.945 1.892 -6.414 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.140 -0.256 -6.402 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.190 1.084 -6.920 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.339 0.422 -5.275 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.310 0.139 -4.799 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.428 0.842 -3.606 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.013 1.771 -4.154 1.00 0.34 H new ATOM 2044 N THR B 57 10.423 4.241 -7.172 1.00 0.24 N ATOM 2045 CA THR B 57 11.088 4.910 -8.279 1.00 0.27 C ATOM 2046 C THR B 57 12.077 5.950 -7.757 1.00 0.26 C ATOM 2047 O THR B 57 13.163 6.106 -8.298 1.00 0.30 O ATOM 2048 CB THR B 57 10.071 5.598 -9.204 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.044 4.669 -9.573 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.747 6.131 -10.458 1.00 0.43 C ATOM 0 H THR B 57 9.409 4.354 -7.158 1.00 0.24 H new ATOM 0 HA THR B 57 11.623 4.150 -8.849 1.00 0.27 H new ATOM 0 HB THR B 57 9.633 6.437 -8.663 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.318 5.147 -10.025 1.00 0.37 H new ATOM 0 HG21 THR B 57 10.005 6.613 -11.095 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.511 6.856 -10.179 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.210 5.306 -11.000 1.00 0.43 H new ATOM 2058 N SER B 58 11.692 6.640 -6.688 1.00 0.31 N ATOM 2059 CA SER B 58 12.553 7.628 -6.050 1.00 0.37 C ATOM 2060 C SER B 58 13.878 7.002 -5.620 1.00 0.30 C ATOM 2061 O SER B 58 14.945 7.535 -5.914 1.00 0.38 O ATOM 2062 CB SER B 58 11.841 8.244 -4.843 1.00 0.49 C ATOM 2063 OG SER B 58 12.565 9.345 -4.329 1.00 1.23 O ATOM 0 H SER B 58 10.781 6.531 -6.243 1.00 0.31 H new ATOM 0 HA SER B 58 12.769 8.413 -6.775 1.00 0.37 H new ATOM 0 HB2 SER B 58 10.841 8.566 -5.133 1.00 0.49 H new ATOM 0 HB3 SER B 58 11.720 7.490 -4.065 1.00 0.49 H new ATOM 0 HG SER B 58 12.087 9.720 -3.560 1.00 1.23 H new ATOM 2069 N LEU B 59 13.809 5.858 -4.944 1.00 0.24 N ATOM 2070 CA LEU B 59 15.016 5.148 -4.526 1.00 0.25 C ATOM 2071 C LEU B 59 15.774 4.621 -5.743 1.00 0.21 C ATOM 2072 O LEU B 59 16.996 4.493 -5.724 1.00 0.27 O ATOM 2073 CB LEU B 59 14.689 4.001 -3.557 1.00 0.37 C ATOM 2074 CG LEU B 59 14.466 4.410 -2.091 1.00 0.37 C ATOM 2075 CD1 LEU B 59 15.614 5.274 -1.598 1.00 1.38 C ATOM 2076 CD2 LEU B 59 13.146 5.138 -1.913 1.00 1.37 C ATOM 0 H LEU B 59 12.936 5.404 -4.675 1.00 0.24 H new ATOM 0 HA LEU B 59 15.652 5.858 -3.996 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.793 3.493 -3.914 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.502 3.276 -3.593 1.00 0.37 H new ATOM 0 HG LEU B 59 14.430 3.498 -1.495 1.00 0.37 H new ATOM 0 HD11 LEU B 59 15.439 5.554 -0.559 1.00 1.38 H new ATOM 0 HD12 LEU B 59 16.547 4.715 -1.671 1.00 1.38 H new ATOM 0 HD13 LEU B 59 15.681 6.174 -2.210 1.00 1.38 H new ATOM 0 HD21 LEU B 59 13.020 5.413 -0.866 1.00 1.37 H new ATOM 0 HD22 LEU B 59 13.141 6.038 -2.527 1.00 1.37 H new ATOM 0 HD23 LEU B 59 12.327 4.486 -2.218 1.00 1.37 H new ATOM 2088 N LEU B 60 15.032 4.323 -6.800 1.00 0.19 N ATOM 2089 CA LEU B 60 15.616 3.868 -8.057 1.00 0.24 C ATOM 2090 C LEU B 60 16.227 5.027 -8.842 1.00 0.27 C ATOM 2091 O LEU B 60 16.829 4.824 -9.898 1.00 0.32 O ATOM 2092 CB LEU B 60 14.555 3.155 -8.902 1.00 0.26 C ATOM 2093 CG LEU B 60 14.527 1.628 -8.772 1.00 0.46 C ATOM 2094 CD1 LEU B 60 15.800 1.022 -9.337 1.00 1.29 C ATOM 2095 CD2 LEU B 60 14.345 1.212 -7.319 1.00 0.57 C ATOM 0 H LEU B 60 14.014 4.389 -6.813 1.00 0.19 H new ATOM 0 HA LEU B 60 16.417 3.168 -7.821 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.575 3.544 -8.627 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.717 3.410 -9.949 1.00 0.26 H new ATOM 0 HG LEU B 60 13.678 1.255 -9.345 1.00 0.46 H new ATOM 0 HD11 LEU B 60 15.763 -0.063 -9.236 1.00 1.29 H new ATOM 0 HD12 LEU B 60 15.892 1.286 -10.391 1.00 1.29 H new ATOM 0 HD13 LEU B 60 16.660 1.408 -8.790 1.00 1.29 H new ATOM 0 HD21 LEU B 60 14.328 0.124 -7.251 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.171 1.600 -6.723 1.00 0.57 H new ATOM 0 HD23 LEU B 60 13.405 1.614 -6.941 1.00 0.57 H new ATOM 2107 N GLU B 61 16.077 6.236 -8.317 1.00 0.27 N ATOM 2108 CA GLU B 61 16.645 7.424 -8.938 1.00 0.33 C ATOM 2109 C GLU B 61 18.006 7.742 -8.327 1.00 0.36 C ATOM 2110 O GLU B 61 18.548 8.836 -8.515 1.00 0.43 O ATOM 2111 CB GLU B 61 15.705 8.620 -8.772 1.00 0.37 C ATOM 2112 CG GLU B 61 14.426 8.531 -9.589 1.00 1.02 C ATOM 2113 CD GLU B 61 14.680 8.584 -11.080 1.00 2.03 C ATOM 2114 OE1 GLU B 61 15.016 9.674 -11.587 1.00 2.59 O ATOM 2115 OE2 GLU B 61 14.527 7.548 -11.755 1.00 2.79 O ATOM 0 H GLU B 61 15.562 6.420 -7.456 1.00 0.27 H new ATOM 0 HA GLU B 61 16.773 7.226 -10.002 1.00 0.33 H new ATOM 0 HB2 GLU B 61 15.443 8.717 -7.718 1.00 0.37 H new ATOM 0 HB3 GLU B 61 16.239 9.528 -9.053 1.00 0.37 H new ATOM 0 HG2 GLU B 61 13.908 7.603 -9.346 1.00 1.02 H new ATOM 0 HG3 GLU B 61 13.763 9.349 -9.308 1.00 1.02 H new ATOM 2122 N LYS B 62 18.558 6.777 -7.599 1.00 0.36 N ATOM 2123 CA LYS B 62 19.883 6.910 -7.015 1.00 0.40 C ATOM 2124 C LYS B 62 20.625 5.589 -7.144 1.00 0.35 C ATOM 2125 O LYS B 62 20.355 4.637 -6.412 1.00 0.30 O ATOM 2126 CB LYS B 62 19.843 7.352 -5.545 1.00 0.48 C ATOM 2127 CG LYS B 62 18.496 7.213 -4.855 1.00 0.51 C ATOM 2128 CD LYS B 62 17.845 8.570 -4.658 1.00 0.76 C ATOM 2129 CE LYS B 62 16.683 8.500 -3.679 1.00 0.83 C ATOM 2130 NZ LYS B 62 16.011 9.817 -3.522 1.00 0.91 N ATOM 0 H LYS B 62 18.101 5.887 -7.399 1.00 0.36 H new ATOM 0 HA LYS B 62 20.406 7.693 -7.563 1.00 0.40 H new ATOM 0 HB2 LYS B 62 20.578 6.770 -4.989 1.00 0.48 H new ATOM 0 HB3 LYS B 62 20.154 8.395 -5.489 1.00 0.48 H new ATOM 0 HG2 LYS B 62 17.843 6.575 -5.450 1.00 0.51 H new ATOM 0 HG3 LYS B 62 18.626 6.724 -3.889 1.00 0.51 H new ATOM 0 HD2 LYS B 62 18.587 9.280 -4.292 1.00 0.76 H new ATOM 0 HD3 LYS B 62 17.490 8.946 -5.618 1.00 0.76 H new ATOM 0 HE2 LYS B 62 15.960 7.762 -4.026 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.045 8.159 -2.709 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 15.225 9.727 -2.847 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 16.695 10.515 -3.167 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 15.643 10.131 -4.443 1.00 0.91 H new ATOM 2144 N PRO B 63 21.570 5.532 -8.096 1.00 0.46 N ATOM 2145 CA PRO B 63 22.296 4.302 -8.456 1.00 0.48 C ATOM 2146 C PRO B 63 22.932 3.605 -7.257 1.00 0.41 C ATOM 2147 O PRO B 63 22.959 2.375 -7.189 1.00 0.40 O ATOM 2148 CB PRO B 63 23.376 4.795 -9.420 1.00 0.59 C ATOM 2149 CG PRO B 63 22.828 6.055 -9.995 1.00 0.94 C ATOM 2150 CD PRO B 63 22.008 6.684 -8.904 1.00 0.65 C ATOM 0 HA PRO B 63 21.625 3.556 -8.882 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.318 4.974 -8.901 1.00 0.59 H new ATOM 0 HB3 PRO B 63 23.576 4.059 -10.199 1.00 0.59 H new ATOM 0 HG2 PRO B 63 23.631 6.720 -10.313 1.00 0.94 H new ATOM 0 HG3 PRO B 63 22.217 5.850 -10.874 1.00 0.94 H new ATOM 0 HD2 PRO B 63 22.596 7.387 -8.315 1.00 0.65 H new ATOM 0 HD3 PRO B 63 21.160 7.237 -9.307 1.00 0.65 H new ATOM 2158 N SER B 64 23.439 4.390 -6.314 1.00 0.40 N ATOM 2159 CA SER B 64 24.062 3.834 -5.124 1.00 0.37 C ATOM 2160 C SER B 64 23.037 3.049 -4.309 1.00 0.34 C ATOM 2161 O SER B 64 23.255 1.884 -3.977 1.00 0.38 O ATOM 2162 CB SER B 64 24.682 4.951 -4.278 1.00 0.39 C ATOM 2163 OG SER B 64 25.426 4.424 -3.193 1.00 1.25 O ATOM 0 H SER B 64 23.430 5.409 -6.352 1.00 0.40 H new ATOM 0 HA SER B 64 24.856 3.152 -5.429 1.00 0.37 H new ATOM 0 HB2 SER B 64 25.331 5.565 -4.902 1.00 0.39 H new ATOM 0 HB3 SER B 64 23.895 5.603 -3.899 1.00 0.39 H new ATOM 0 HG SER B 64 25.811 5.160 -2.672 1.00 1.25 H new ATOM 2169 N VAL B 65 21.902 3.683 -4.032 1.00 0.30 N ATOM 2170 CA VAL B 65 20.838 3.061 -3.255 1.00 0.30 C ATOM 2171 C VAL B 65 20.344 1.780 -3.924 1.00 0.29 C ATOM 2172 O VAL B 65 20.123 0.766 -3.257 1.00 0.30 O ATOM 2173 CB VAL B 65 19.654 4.035 -3.067 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.488 3.358 -2.370 1.00 0.38 C ATOM 2175 CG2 VAL B 65 20.096 5.265 -2.291 1.00 0.33 C ATOM 0 H VAL B 65 21.696 4.634 -4.337 1.00 0.30 H new ATOM 0 HA VAL B 65 21.251 2.810 -2.278 1.00 0.30 H new ATOM 0 HB VAL B 65 19.317 4.347 -4.056 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.671 4.070 -2.253 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.149 2.512 -2.967 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.806 3.005 -1.389 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.250 5.941 -2.167 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.466 4.963 -1.311 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.890 5.774 -2.837 1.00 0.33 H new ATOM 2185 N VAL B 66 20.206 1.827 -5.242 1.00 0.29 N ATOM 2186 CA VAL B 66 19.757 0.673 -6.011 1.00 0.30 C ATOM 2187 C VAL B 66 20.678 -0.522 -5.783 1.00 0.30 C ATOM 2188 O VAL B 66 20.223 -1.608 -5.417 1.00 0.30 O ATOM 2189 CB VAL B 66 19.712 0.993 -7.518 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.207 -0.200 -8.312 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.847 2.215 -7.778 1.00 0.34 C ATOM 0 H VAL B 66 20.400 2.656 -5.804 1.00 0.29 H new ATOM 0 HA VAL B 66 18.752 0.427 -5.668 1.00 0.30 H new ATOM 0 HB VAL B 66 20.727 1.212 -7.849 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.185 0.052 -9.372 1.00 0.35 H new ATOM 0 HG12 VAL B 66 19.872 -1.049 -8.155 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.202 -0.459 -7.979 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.827 2.426 -8.847 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.833 2.024 -7.427 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.260 3.073 -7.247 1.00 0.34 H new ATOM 2201 N ALA B 67 21.975 -0.302 -5.969 1.00 0.33 N ATOM 2202 CA ALA B 67 22.965 -1.367 -5.846 1.00 0.35 C ATOM 2203 C ALA B 67 22.987 -1.963 -4.446 1.00 0.32 C ATOM 2204 O ALA B 67 23.291 -3.139 -4.273 1.00 0.34 O ATOM 2205 CB ALA B 67 24.346 -0.855 -6.207 1.00 0.42 C ATOM 0 H ALA B 67 22.367 0.609 -6.207 1.00 0.33 H new ATOM 0 HA ALA B 67 22.677 -2.155 -6.543 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.071 -1.663 -6.109 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.343 -0.493 -7.235 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.619 -0.040 -5.536 1.00 0.42 H new ATOM 2211 N TYR B 68 22.690 -1.144 -3.449 1.00 0.30 N ATOM 2212 CA TYR B 68 22.653 -1.609 -2.068 1.00 0.30 C ATOM 2213 C TYR B 68 21.459 -2.515 -1.800 1.00 0.30 C ATOM 2214 O TYR B 68 21.544 -3.441 -0.998 1.00 0.33 O ATOM 2215 CB TYR B 68 22.712 -0.438 -1.090 1.00 0.32 C ATOM 2216 CG TYR B 68 24.121 0.077 -0.927 1.00 0.51 C ATOM 2217 CD1 TYR B 68 25.073 -0.687 -0.267 1.00 1.06 C ATOM 2218 CD2 TYR B 68 24.515 1.294 -1.461 1.00 1.31 C ATOM 2219 CE1 TYR B 68 26.375 -0.248 -0.143 1.00 1.28 C ATOM 2220 CE2 TYR B 68 25.818 1.738 -1.347 1.00 1.54 C ATOM 2221 CZ TYR B 68 26.744 0.962 -0.686 1.00 1.19 C ATOM 2222 OH TYR B 68 28.046 1.394 -0.569 1.00 1.55 O ATOM 0 H TYR B 68 22.471 -0.155 -3.568 1.00 0.30 H new ATOM 0 HA TYR B 68 23.544 -2.216 -1.906 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.068 0.367 -1.445 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.324 -0.752 -0.121 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.790 -1.640 0.156 1.00 1.06 H new ATOM 0 HD2 TYR B 68 23.790 1.907 -1.976 1.00 1.31 H new ATOM 0 HE1 TYR B 68 27.103 -0.852 0.379 1.00 1.28 H new ATOM 0 HE2 TYR B 68 26.109 2.687 -1.773 1.00 1.54 H new ATOM 0 HH TYR B 68 28.142 2.266 -1.007 1.00 1.55 H new ATOM 2232 N LEU B 69 20.340 -2.239 -2.444 1.00 0.28 N ATOM 2233 CA LEU B 69 19.152 -3.070 -2.290 1.00 0.29 C ATOM 2234 C LEU B 69 19.384 -4.468 -2.846 1.00 0.31 C ATOM 2235 O LEU B 69 19.078 -5.464 -2.196 1.00 0.34 O ATOM 2236 CB LEU B 69 17.974 -2.409 -2.983 1.00 0.28 C ATOM 2237 CG LEU B 69 17.631 -1.045 -2.419 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.802 -0.236 -3.404 1.00 0.30 C ATOM 2239 CD2 LEU B 69 16.903 -1.186 -1.093 1.00 0.33 C ATOM 0 H LEU B 69 20.225 -1.448 -3.078 1.00 0.28 H new ATOM 0 HA LEU B 69 18.933 -3.170 -1.227 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.197 -2.309 -4.045 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.102 -3.058 -2.900 1.00 0.28 H new ATOM 0 HG LEU B 69 18.563 -0.507 -2.247 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.571 0.738 -2.972 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.365 -0.099 -4.327 1.00 0.30 H new ATOM 0 HD13 LEU B 69 15.874 -0.766 -3.620 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.664 -0.197 -0.702 1.00 0.33 H new ATOM 0 HD22 LEU B 69 15.982 -1.749 -1.242 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.540 -1.713 -0.382 1.00 0.33 H new ATOM 2251 N GLU B 70 19.929 -4.544 -4.044 1.00 0.32 N ATOM 2252 CA GLU B 70 20.251 -5.832 -4.638 1.00 0.39 C ATOM 2253 C GLU B 70 21.474 -6.427 -3.975 1.00 0.44 C ATOM 2254 O GLU B 70 21.657 -7.643 -3.928 1.00 0.53 O ATOM 2255 CB GLU B 70 20.477 -5.692 -6.136 1.00 0.44 C ATOM 2256 CG GLU B 70 21.024 -4.339 -6.551 1.00 0.45 C ATOM 2257 CD GLU B 70 21.296 -4.251 -8.039 1.00 0.56 C ATOM 2258 OE1 GLU B 70 22.161 -4.995 -8.536 1.00 1.15 O ATOM 2259 OE2 GLU B 70 20.623 -3.456 -8.727 1.00 1.32 O ATOM 0 H GLU B 70 20.158 -3.737 -4.624 1.00 0.32 H new ATOM 0 HA GLU B 70 19.407 -6.503 -4.480 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.168 -6.468 -6.463 1.00 0.44 H new ATOM 0 HB3 GLU B 70 19.534 -5.866 -6.654 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.313 -3.562 -6.269 1.00 0.45 H new ATOM 0 HG3 GLU B 70 21.946 -4.141 -6.005 1.00 0.45 H new ATOM 2266 N GLY B 71 22.294 -5.536 -3.450 1.00 0.44 N ATOM 2267 CA GLY B 71 23.497 -5.923 -2.765 1.00 0.53 C ATOM 2268 C GLY B 71 24.592 -6.303 -3.724 1.00 0.65 C ATOM 2269 O GLY B 71 25.396 -7.193 -3.449 1.00 0.79 O ATOM 0 H GLY B 71 22.139 -4.529 -3.490 1.00 0.44 H new ATOM 0 HA2 GLY B 71 23.836 -5.101 -2.134 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.284 -6.764 -2.105 1.00 0.53 H new ATOM 2273 N LYS B 72 24.632 -5.606 -4.842 1.00 0.69 N ATOM 2274 CA LYS B 72 25.535 -5.941 -5.922 1.00 0.93 C ATOM 2275 C LYS B 72 26.509 -4.797 -6.167 1.00 1.13 C ATOM 2276 O LYS B 72 27.365 -4.551 -5.293 1.00 1.49 O ATOM 2277 CB LYS B 72 24.715 -6.225 -7.175 1.00 1.21 C ATOM 2278 CG LYS B 72 23.562 -7.180 -6.928 1.00 1.13 C ATOM 2279 CD LYS B 72 24.033 -8.587 -6.612 1.00 1.47 C ATOM 2280 CE LYS B 72 22.870 -9.460 -6.174 1.00 1.99 C ATOM 2281 NZ LYS B 72 23.266 -10.883 -6.020 1.00 2.58 N ATOM 2282 OXT LYS B 72 26.405 -4.135 -7.219 1.00 1.80 O ATOM 0 H LYS B 72 24.042 -4.795 -5.026 1.00 0.69 H new ATOM 0 HA LYS B 72 26.115 -6.826 -5.659 1.00 0.93 H new ATOM 0 HB2 LYS B 72 24.324 -5.286 -7.566 1.00 1.21 H new ATOM 0 HB3 LYS B 72 25.367 -6.643 -7.942 1.00 1.21 H new ATOM 0 HG2 LYS B 72 22.957 -6.808 -6.101 1.00 1.13 H new ATOM 0 HG3 LYS B 72 22.919 -7.204 -7.808 1.00 1.13 H new ATOM 0 HD2 LYS B 72 24.509 -9.022 -7.491 1.00 1.47 H new ATOM 0 HD3 LYS B 72 24.786 -8.555 -5.825 1.00 1.47 H new ATOM 0 HE2 LYS B 72 22.476 -9.090 -5.228 1.00 1.99 H new ATOM 0 HE3 LYS B 72 22.066 -9.385 -6.906 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 22.442 -11.442 -5.720 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 23.618 -11.246 -6.929 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 24.015 -10.959 -5.303 1.00 2.58 H new