USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=31 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 23 MET CE :methyl 154:sc= -2.43 (180deg=-2.54!) USER MOD Set 1.2: B 42 HIS : no HD1:sc= -1.12 K(o=-3.5,f=-6.8!) USER MOD Set 2.1: A 55 MET CE :methyl -167:sc= -0.524 (180deg=-0.822) USER MOD Set 2.2: B 44 CYS SG : rot 80:sc= 0.0478 USER MOD Set 3.1: A 44 CYS SG : rot 82:sc= 0.857 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 142:sc= 0.833 (180deg=0) USER MOD Set 3.3: B 55 MET CE :methyl -153:sc= -0.232 (180deg=-0.933) USER MOD Set 4.1: A 23 MET CE :methyl -124:sc= -2.69! (180deg=-6.2!) USER MOD Set 4.2: A 42 HIS : no HD1:sc= -2.37! C(o=-5.1!,f=-7!) USER MOD Single : A 3 SER OG : rot -161:sc= 0.103 USER MOD Single : A 4 LYS NZ :NH3+ 144:sc= 1.15 (180deg=0.333) USER MOD Single : A 9 GLN : amide:sc= -1.5! C(o=-1.5!,f=-6.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 69:sc= 0.379 USER MOD Single : A 25 MET CE :methyl -174:sc= -0.177 (180deg=-0.304) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 32 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.3!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.594 K(o=0.59,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -9:sc= 0.632 USER MOD Single : A 57 THR OG1 : rot 51:sc= -0.0608 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -112:sc= 1.23 (180deg=-0.456) 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 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.852) USER MOD Single : B 9 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.77) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 THR OG1 : rot 68:sc= 0.851 USER MOD Single : B 25 MET CE :methyl 176:sc= -0.338 (180deg=-0.358) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 27 TYR OH : rot -137:sc= 0.613 USER MOD Single : B 28 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 32 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= 0.558 K(o=0.56,f=-0.021) USER MOD Single : B 46 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.4) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 1:sc= -0.155 USER MOD Single : B 57 THR OG1 : rot 171:sc= -1.06 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -177:sc= 1.07 (180deg=0.979) USER MOD Single : B 64 SER OG : rot 180:sc= 0 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 -17.294 -10.007 3.359 1.00 0.51 N ATOM 52 CA SER A 3 -18.010 -8.925 2.708 1.00 0.45 C ATOM 53 C SER A 3 -17.009 -7.896 2.192 1.00 0.34 C ATOM 54 O SER A 3 -15.811 -8.025 2.443 1.00 0.30 O ATOM 55 CB SER A 3 -18.994 -8.265 3.674 1.00 0.50 C ATOM 56 OG SER A 3 -19.935 -9.199 4.179 1.00 0.72 O ATOM 0 HA SER A 3 -18.580 -9.331 1.872 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.446 -7.816 4.502 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.519 -7.458 3.164 1.00 0.50 H new ATOM 0 HG SER A 3 -20.709 -8.720 4.542 1.00 0.72 H new ATOM 62 N LYS A 4 -17.477 -6.892 1.463 1.00 0.32 N ATOM 63 CA LYS A 4 -16.595 -5.821 0.993 1.00 0.28 C ATOM 64 C LYS A 4 -15.847 -5.171 2.159 1.00 0.22 C ATOM 65 O LYS A 4 -14.711 -4.722 2.006 1.00 0.22 O ATOM 66 CB LYS A 4 -17.390 -4.751 0.243 1.00 0.36 C ATOM 67 CG LYS A 4 -18.842 -5.119 -0.006 1.00 0.88 C ATOM 68 CD LYS A 4 -19.599 -3.971 -0.642 1.00 0.88 C ATOM 69 CE LYS A 4 -19.212 -3.776 -2.091 1.00 0.40 C ATOM 70 NZ LYS A 4 -19.574 -4.958 -2.914 1.00 1.69 N ATOM 0 H LYS A 4 -18.453 -6.793 1.184 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.870 -6.271 0.315 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -17.354 -3.822 0.811 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -16.906 -4.558 -0.714 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -18.892 -5.994 -0.654 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -19.317 -5.393 0.936 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -20.670 -4.161 -0.574 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -19.402 -3.054 -0.087 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -19.710 -2.890 -2.486 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -18.139 -3.597 -2.161 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -19.881 -4.644 -3.857 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -18.747 -5.581 -3.009 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -20.348 -5.478 -2.453 1.00 1.69 H new ATOM 84 N LEU A 5 -16.489 -5.131 3.323 1.00 0.22 N ATOM 85 CA LEU A 5 -15.884 -4.542 4.507 1.00 0.22 C ATOM 86 C LEU A 5 -14.773 -5.430 5.044 1.00 0.22 C ATOM 87 O LEU A 5 -13.787 -4.936 5.580 1.00 0.24 O ATOM 88 CB LEU A 5 -16.946 -4.249 5.571 1.00 0.25 C ATOM 89 CG LEU A 5 -16.429 -3.726 6.908 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.322 -2.606 7.418 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.369 -4.847 7.933 1.00 0.34 C ATOM 0 H LEU A 5 -17.429 -5.500 3.469 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.432 -3.590 4.228 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.647 -3.520 5.165 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.509 -5.164 5.755 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.423 -3.336 6.756 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -16.941 -2.243 8.372 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.330 -1.789 6.696 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.336 -2.982 7.552 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -15.998 -4.455 8.880 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.367 -5.261 8.078 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.699 -5.630 7.577 1.00 0.34 H new ATOM 103 N ALA A 6 -14.924 -6.735 4.894 1.00 0.23 N ATOM 104 CA ALA A 6 -13.828 -7.645 5.180 1.00 0.24 C ATOM 105 C ALA A 6 -12.611 -7.251 4.355 1.00 0.22 C ATOM 106 O ALA A 6 -11.486 -7.261 4.852 1.00 0.24 O ATOM 107 CB ALA A 6 -14.226 -9.086 4.894 1.00 0.28 C ATOM 0 H ALA A 6 -15.784 -7.184 4.580 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.581 -7.575 6.239 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.388 -9.746 5.116 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -15.078 -9.359 5.517 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.498 -9.187 3.843 1.00 0.28 H new ATOM 113 N LEU A 7 -12.847 -6.876 3.098 1.00 0.20 N ATOM 114 CA LEU A 7 -11.769 -6.441 2.216 1.00 0.19 C ATOM 115 C LEU A 7 -11.187 -5.095 2.650 1.00 0.18 C ATOM 116 O LEU A 7 -9.980 -4.976 2.826 1.00 0.18 O ATOM 117 CB LEU A 7 -12.285 -6.311 0.779 1.00 0.20 C ATOM 118 CG LEU A 7 -12.385 -7.603 -0.040 1.00 0.23 C ATOM 119 CD1 LEU A 7 -13.282 -8.630 0.634 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.906 -7.283 -1.428 1.00 0.25 C ATOM 0 H LEU A 7 -13.773 -6.865 2.670 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.984 -7.195 2.272 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.274 -5.853 0.813 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.632 -5.620 0.245 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.388 -8.038 -0.111 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -13.327 -9.531 0.022 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.878 -8.877 1.616 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -14.285 -8.218 0.748 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.977 -8.201 -2.011 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.892 -6.825 -1.350 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.223 -6.592 -1.922 1.00 0.25 H new ATOM 132 N ILE A 8 -12.041 -4.088 2.835 1.00 0.17 N ATOM 133 CA ILE A 8 -11.566 -2.766 3.259 1.00 0.17 C ATOM 134 C ILE A 8 -10.828 -2.835 4.601 1.00 0.18 C ATOM 135 O ILE A 8 -9.862 -2.111 4.815 1.00 0.20 O ATOM 136 CB ILE A 8 -12.689 -1.689 3.289 1.00 0.18 C ATOM 137 CG1 ILE A 8 -13.916 -2.165 4.047 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.063 -1.260 1.880 1.00 0.19 C ATOM 139 CD1 ILE A 8 -13.894 -1.792 5.510 1.00 0.24 C ATOM 0 H ILE A 8 -13.050 -4.157 2.701 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.856 -2.446 2.496 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.292 -0.826 3.823 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.808 -1.742 3.584 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -13.993 -3.248 3.956 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -13.850 -0.507 1.926 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.188 -0.841 1.383 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.420 -2.124 1.319 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -14.798 -2.161 5.993 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.020 -2.237 5.986 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -13.847 -0.707 5.608 1.00 0.24 H new ATOM 151 N GLN A 9 -11.273 -3.717 5.493 1.00 0.19 N ATOM 152 CA GLN A 9 -10.618 -3.891 6.788 1.00 0.21 C ATOM 153 C GLN A 9 -9.291 -4.636 6.662 1.00 0.22 C ATOM 154 O GLN A 9 -8.354 -4.360 7.410 1.00 0.24 O ATOM 155 CB GLN A 9 -11.524 -4.638 7.770 1.00 0.22 C ATOM 156 CG GLN A 9 -12.648 -3.795 8.354 1.00 0.29 C ATOM 157 CD GLN A 9 -12.153 -2.679 9.260 1.00 0.90 C ATOM 158 OE1 GLN A 9 -11.073 -2.119 9.064 1.00 1.82 O ATOM 159 NE2 GLN A 9 -12.935 -2.364 10.281 1.00 1.37 N ATOM 0 H GLN A 9 -12.082 -4.321 5.344 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.418 -2.890 7.170 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -11.958 -5.499 7.262 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -10.914 -5.024 8.587 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.229 -3.362 7.540 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.321 -4.440 8.918 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -13.823 -2.849 10.412 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -12.650 -1.636 10.936 1.00 1.37 H new ATOM 168 N GLU A 10 -9.213 -5.601 5.750 1.00 0.21 N ATOM 169 CA GLU A 10 -7.980 -6.367 5.574 1.00 0.23 C ATOM 170 C GLU A 10 -6.935 -5.587 4.804 1.00 0.21 C ATOM 171 O GLU A 10 -5.762 -5.899 4.906 1.00 0.22 O ATOM 172 CB GLU A 10 -8.224 -7.720 4.892 1.00 0.25 C ATOM 173 CG GLU A 10 -8.549 -7.620 3.411 1.00 0.24 C ATOM 174 CD GLU A 10 -8.678 -8.974 2.746 1.00 0.39 C ATOM 175 OE1 GLU A 10 -9.707 -9.650 2.950 1.00 1.15 O ATOM 176 OE2 GLU A 10 -7.747 -9.374 2.012 1.00 1.11 O ATOM 0 H GLU A 10 -9.976 -5.870 5.129 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.603 -6.557 6.579 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.338 -8.343 5.017 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -9.044 -8.228 5.399 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.480 -7.068 3.285 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.768 -7.047 2.910 1.00 0.24 H new ATOM 183 N LEU A 11 -7.358 -4.600 4.022 1.00 0.18 N ATOM 184 CA LEU A 11 -6.420 -3.790 3.245 1.00 0.18 C ATOM 185 C LEU A 11 -5.251 -3.290 4.106 1.00 0.18 C ATOM 186 O LEU A 11 -4.102 -3.398 3.688 1.00 0.17 O ATOM 187 CB LEU A 11 -7.126 -2.609 2.574 1.00 0.19 C ATOM 188 CG LEU A 11 -8.247 -2.984 1.607 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.754 -1.755 0.890 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.782 -4.025 0.604 1.00 0.25 C ATOM 0 H LEU A 11 -8.338 -4.341 3.908 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.014 -4.437 2.467 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.538 -1.964 3.350 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.383 -2.022 2.034 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.062 -3.416 2.188 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.553 -2.037 0.204 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.137 -1.041 1.619 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -7.938 -1.299 0.329 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.602 -4.272 -0.071 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -6.946 -3.628 0.029 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.465 -4.924 1.133 1.00 0.25 H new ATOM 202 N PRO A 12 -5.509 -2.731 5.314 1.00 0.21 N ATOM 203 CA PRO A 12 -4.443 -2.373 6.255 1.00 0.25 C ATOM 204 C PRO A 12 -3.459 -3.512 6.532 1.00 0.26 C ATOM 205 O PRO A 12 -2.248 -3.303 6.551 1.00 0.28 O ATOM 206 CB PRO A 12 -5.197 -1.997 7.529 1.00 0.30 C ATOM 207 CG PRO A 12 -6.519 -1.515 7.051 1.00 0.27 C ATOM 208 CD PRO A 12 -6.837 -2.330 5.827 1.00 0.22 C ATOM 0 HA PRO A 12 -3.821 -1.574 5.853 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.304 -2.854 8.194 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.671 -1.223 8.088 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.283 -1.647 7.817 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.485 -0.452 6.814 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.450 -3.198 6.072 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.391 -1.747 5.091 1.00 0.22 H new ATOM 216 N ASP A 13 -3.976 -4.711 6.739 1.00 0.26 N ATOM 217 CA ASP A 13 -3.128 -5.865 7.036 1.00 0.29 C ATOM 218 C ASP A 13 -2.392 -6.327 5.785 1.00 0.25 C ATOM 219 O ASP A 13 -1.201 -6.623 5.815 1.00 0.26 O ATOM 220 CB ASP A 13 -3.965 -7.022 7.598 1.00 0.36 C ATOM 221 CG ASP A 13 -4.478 -6.763 9.001 1.00 0.98 C ATOM 222 OD1 ASP A 13 -5.232 -5.786 9.200 1.00 1.40 O ATOM 223 OD2 ASP A 13 -4.146 -7.551 9.911 1.00 1.86 O ATOM 0 H ASP A 13 -4.975 -4.916 6.708 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.397 -5.560 7.785 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.812 -7.204 6.936 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -3.362 -7.930 7.601 1.00 0.36 H new ATOM 228 N ARG A 14 -3.124 -6.400 4.693 1.00 0.22 N ATOM 229 CA ARG A 14 -2.573 -6.797 3.410 1.00 0.22 C ATOM 230 C ARG A 14 -1.473 -5.831 2.966 1.00 0.20 C ATOM 231 O ARG A 14 -0.479 -6.246 2.381 1.00 0.22 O ATOM 232 CB ARG A 14 -3.683 -6.867 2.362 1.00 0.28 C ATOM 233 CG ARG A 14 -3.462 -7.948 1.323 1.00 0.53 C ATOM 234 CD ARG A 14 -4.630 -8.044 0.358 1.00 0.50 C ATOM 235 NE ARG A 14 -4.532 -9.231 -0.489 1.00 0.95 N ATOM 236 CZ ARG A 14 -5.551 -9.757 -1.160 1.00 0.72 C ATOM 237 NH1 ARG A 14 -6.773 -9.265 -1.009 1.00 1.08 N ATOM 238 NH2 ARG A 14 -5.351 -10.799 -1.956 1.00 1.15 N ATOM 0 H ARG A 14 -4.121 -6.185 4.668 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.128 -7.786 3.516 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.635 -7.044 2.863 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -3.761 -5.902 1.861 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -2.547 -7.738 0.768 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -3.320 -8.908 1.820 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -5.564 -8.072 0.919 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.660 -7.152 -0.267 1.00 0.50 H new ATOM 0 HE ARG A 14 -3.622 -9.685 -0.570 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -6.932 -8.481 -0.377 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -7.554 -9.671 -1.525 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -4.416 -11.195 -2.052 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -6.132 -11.204 -2.472 1.00 1.15 H new ATOM 252 N ILE A 15 -1.654 -4.546 3.258 1.00 0.19 N ATOM 253 CA ILE A 15 -0.637 -3.540 2.964 1.00 0.20 C ATOM 254 C ILE A 15 0.495 -3.643 3.977 1.00 0.21 C ATOM 255 O ILE A 15 1.654 -3.386 3.658 1.00 0.21 O ATOM 256 CB ILE A 15 -1.241 -2.109 2.947 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.581 -1.258 1.851 1.00 0.26 C ATOM 258 CG2 ILE A 15 -1.118 -1.428 4.303 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.757 -0.661 2.229 1.00 0.25 C ATOM 0 H ILE A 15 -2.496 -4.176 3.698 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.239 -3.732 1.968 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.304 -2.203 2.724 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.449 -1.875 0.962 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.260 -0.449 1.580 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.552 -0.430 4.249 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.648 -2.014 5.054 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -0.066 -1.352 4.578 1.00 0.25 H new ATOM 0 HD11 ILE A 15 1.144 -0.078 1.393 1.00 0.25 H new ATOM 0 HD12 ILE A 15 0.634 -0.013 3.097 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.458 -1.461 2.469 1.00 0.25 H new ATOM 271 N GLN A 16 0.151 -4.040 5.195 1.00 0.23 N ATOM 272 CA GLN A 16 1.145 -4.335 6.207 1.00 0.26 C ATOM 273 C GLN A 16 2.061 -5.423 5.687 1.00 0.25 C ATOM 274 O GLN A 16 3.265 -5.384 5.892 1.00 0.29 O ATOM 275 CB GLN A 16 0.468 -4.796 7.493 1.00 0.33 C ATOM 276 CG GLN A 16 1.411 -4.957 8.671 1.00 0.78 C ATOM 277 CD GLN A 16 0.711 -5.523 9.888 1.00 1.16 C ATOM 278 OE1 GLN A 16 0.652 -6.738 10.075 1.00 1.70 O ATOM 279 NE2 GLN A 16 0.168 -4.650 10.717 1.00 1.91 N ATOM 0 H GLN A 16 -0.814 -4.164 5.503 1.00 0.23 H new ATOM 0 HA GLN A 16 1.722 -3.437 6.425 1.00 0.26 H new ATOM 0 HB2 GLN A 16 -0.308 -4.078 7.759 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.029 -5.748 7.307 1.00 0.33 H new ATOM 0 HG2 GLN A 16 2.234 -5.614 8.389 1.00 0.78 H new ATOM 0 HG3 GLN A 16 1.846 -3.990 8.921 1.00 0.78 H new ATOM 0 HE21 GLN A 16 0.240 -3.651 10.525 1.00 1.91 H new ATOM 0 HE22 GLN A 16 -0.323 -4.975 11.550 1.00 1.91 H new ATOM 288 N THR A 17 1.463 -6.384 4.994 1.00 0.23 N ATOM 289 CA THR A 17 2.206 -7.469 4.372 1.00 0.25 C ATOM 290 C THR A 17 2.890 -7.018 3.082 1.00 0.22 C ATOM 291 O THR A 17 3.972 -7.494 2.743 1.00 0.27 O ATOM 292 CB THR A 17 1.290 -8.672 4.071 1.00 0.30 C ATOM 293 OG1 THR A 17 0.547 -9.033 5.244 1.00 0.38 O ATOM 294 CG2 THR A 17 2.098 -9.871 3.594 1.00 0.32 C ATOM 0 H THR A 17 0.455 -6.432 4.849 1.00 0.23 H new ATOM 0 HA THR A 17 2.972 -7.773 5.085 1.00 0.25 H new ATOM 0 HB THR A 17 0.602 -8.379 3.278 1.00 0.30 H new ATOM 0 HG1 THR A 17 -0.103 -8.329 5.449 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.426 -10.704 3.389 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.637 -9.608 2.684 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.810 -10.160 4.367 1.00 0.32 H new ATOM 302 N ALA A 18 2.257 -6.104 2.365 1.00 0.22 N ATOM 303 CA ALA A 18 2.851 -5.533 1.166 1.00 0.23 C ATOM 304 C ALA A 18 4.150 -4.825 1.505 1.00 0.24 C ATOM 305 O ALA A 18 5.056 -4.727 0.682 1.00 0.29 O ATOM 306 CB ALA A 18 1.880 -4.564 0.505 1.00 0.26 C ATOM 0 H ALA A 18 1.331 -5.741 2.592 1.00 0.22 H new ATOM 0 HA ALA A 18 3.067 -6.342 0.468 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.338 -4.144 -0.391 1.00 0.26 H new ATOM 0 HB2 ALA A 18 0.967 -5.093 0.232 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.639 -3.760 1.200 1.00 0.26 H new ATOM 312 N VAL A 19 4.230 -4.344 2.734 1.00 0.24 N ATOM 313 CA VAL A 19 5.339 -3.515 3.153 1.00 0.29 C ATOM 314 C VAL A 19 6.225 -4.177 4.235 1.00 0.23 C ATOM 315 O VAL A 19 7.326 -3.698 4.515 1.00 0.27 O ATOM 316 CB VAL A 19 4.776 -2.159 3.638 1.00 0.49 C ATOM 317 CG1 VAL A 19 5.846 -1.263 4.183 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.045 -1.459 2.508 1.00 1.77 C ATOM 0 H VAL A 19 3.535 -4.517 3.460 1.00 0.24 H new ATOM 0 HA VAL A 19 5.999 -3.368 2.298 1.00 0.29 H new ATOM 0 HB VAL A 19 4.080 -2.372 4.449 1.00 0.49 H new ATOM 0 HG11 VAL A 19 5.402 -0.323 4.511 1.00 1.09 H new ATOM 0 HG12 VAL A 19 6.332 -1.749 5.029 1.00 1.09 H new ATOM 0 HG13 VAL A 19 6.584 -1.064 3.406 1.00 1.09 H new ATOM 0 HG21 VAL A 19 3.654 -0.506 2.863 1.00 1.77 H new ATOM 0 HG22 VAL A 19 4.735 -1.283 1.682 1.00 1.77 H new ATOM 0 HG23 VAL A 19 3.221 -2.084 2.165 1.00 1.77 H new ATOM 328 N GLU A 20 5.781 -5.298 4.809 1.00 0.22 N ATOM 329 CA GLU A 20 6.519 -5.931 5.917 1.00 0.25 C ATOM 330 C GLU A 20 7.908 -6.387 5.487 1.00 0.26 C ATOM 331 O GLU A 20 8.861 -6.319 6.263 1.00 0.30 O ATOM 332 CB GLU A 20 5.723 -7.094 6.544 1.00 0.28 C ATOM 333 CG GLU A 20 5.091 -8.071 5.562 1.00 0.30 C ATOM 334 CD GLU A 20 5.984 -9.223 5.154 1.00 0.96 C ATOM 335 OE1 GLU A 20 6.052 -10.213 5.915 1.00 1.32 O ATOM 336 OE2 GLU A 20 6.581 -9.163 4.066 1.00 1.93 O ATOM 0 H GLU A 20 4.928 -5.784 4.534 1.00 0.22 H new ATOM 0 HA GLU A 20 6.648 -5.168 6.685 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.389 -7.651 7.203 1.00 0.28 H new ATOM 0 HB3 GLU A 20 4.934 -6.674 7.168 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.181 -8.474 6.006 1.00 0.30 H new ATOM 0 HG3 GLU A 20 4.794 -7.525 4.667 1.00 0.30 H new ATOM 343 N ALA A 21 8.007 -6.851 4.256 1.00 0.28 N ATOM 344 CA ALA A 21 9.288 -7.212 3.673 1.00 0.32 C ATOM 345 C ALA A 21 10.252 -6.033 3.715 1.00 0.30 C ATOM 346 O ALA A 21 11.383 -6.158 4.179 1.00 0.31 O ATOM 347 CB ALA A 21 9.099 -7.685 2.245 1.00 0.40 C ATOM 0 H ALA A 21 7.210 -6.988 3.635 1.00 0.28 H new ATOM 0 HA ALA A 21 9.715 -8.025 4.260 1.00 0.32 H new ATOM 0 HB1 ALA A 21 10.066 -7.952 1.819 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.444 -8.556 2.234 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.651 -6.887 1.654 1.00 0.40 H new ATOM 353 N ALA A 22 9.784 -4.881 3.263 1.00 0.28 N ATOM 354 CA ALA A 22 10.613 -3.689 3.215 1.00 0.29 C ATOM 355 C ALA A 22 10.865 -3.134 4.613 1.00 0.31 C ATOM 356 O ALA A 22 11.915 -2.546 4.878 1.00 0.35 O ATOM 357 CB ALA A 22 9.984 -2.643 2.320 1.00 0.30 C ATOM 0 H ALA A 22 8.832 -4.747 2.923 1.00 0.28 H new ATOM 0 HA ALA A 22 11.579 -3.965 2.793 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.618 -1.757 2.295 1.00 0.30 H new ATOM 0 HB2 ALA A 22 9.879 -3.043 1.311 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.001 -2.376 2.708 1.00 0.30 H new ATOM 363 N MET A 23 9.897 -3.292 5.506 1.00 0.30 N ATOM 364 CA MET A 23 10.092 -2.896 6.895 1.00 0.35 C ATOM 365 C MET A 23 11.134 -3.793 7.549 1.00 0.40 C ATOM 366 O MET A 23 12.009 -3.320 8.272 1.00 0.46 O ATOM 367 CB MET A 23 8.785 -2.950 7.687 1.00 0.33 C ATOM 368 CG MET A 23 7.764 -1.897 7.283 1.00 0.38 C ATOM 369 SD MET A 23 8.448 -0.226 7.217 1.00 0.72 S ATOM 370 CE MET A 23 8.722 -0.060 5.459 1.00 0.53 C ATOM 0 H MET A 23 8.980 -3.686 5.298 1.00 0.30 H new ATOM 0 HA MET A 23 10.442 -1.864 6.901 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.340 -3.937 7.564 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.011 -2.832 8.747 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.355 -2.154 6.306 1.00 0.38 H new ATOM 0 HG3 MET A 23 6.935 -1.915 7.990 1.00 0.38 H new ATOM 0 HE1 MET A 23 9.768 0.186 5.275 1.00 0.53 H new ATOM 0 HE2 MET A 23 8.478 -0.999 4.962 1.00 0.53 H new ATOM 0 HE3 MET A 23 8.088 0.734 5.065 1.00 0.53 H new ATOM 380 N GLY A 24 11.044 -5.086 7.269 1.00 0.40 N ATOM 381 CA GLY A 24 12.027 -6.032 7.757 1.00 0.48 C ATOM 382 C GLY A 24 13.272 -6.075 6.891 1.00 0.46 C ATOM 383 O GLY A 24 14.000 -7.067 6.884 1.00 0.57 O ATOM 0 H GLY A 24 10.300 -5.499 6.707 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.307 -5.767 8.777 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.581 -7.026 7.797 1.00 0.48 H new ATOM 387 N MET A 25 13.505 -5.003 6.142 1.00 0.44 N ATOM 388 CA MET A 25 14.712 -4.881 5.344 1.00 0.46 C ATOM 389 C MET A 25 15.857 -4.422 6.226 1.00 0.48 C ATOM 390 O MET A 25 15.740 -3.415 6.924 1.00 0.57 O ATOM 391 CB MET A 25 14.528 -3.867 4.211 1.00 0.56 C ATOM 392 CG MET A 25 15.724 -3.778 3.284 1.00 0.53 C ATOM 393 SD MET A 25 15.894 -2.169 2.523 1.00 1.04 S ATOM 394 CE MET A 25 14.427 -2.137 1.515 1.00 0.76 C ATOM 0 H MET A 25 12.871 -4.207 6.073 1.00 0.44 H new ATOM 0 HA MET A 25 14.930 -5.857 4.910 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.647 -4.138 3.630 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.336 -2.884 4.641 1.00 0.56 H new ATOM 0 HG2 MET A 25 16.630 -4.007 3.845 1.00 0.53 H new ATOM 0 HG3 MET A 25 15.631 -4.535 2.505 1.00 0.53 H new ATOM 0 HE1 MET A 25 14.434 -1.243 0.891 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.402 -3.023 0.880 1.00 0.76 H new ATOM 0 HE3 MET A 25 13.545 -2.125 2.156 1.00 0.76 H new ATOM 404 N SER A 26 16.952 -5.152 6.206 1.00 0.54 N ATOM 405 CA SER A 26 18.129 -4.732 6.930 1.00 0.65 C ATOM 406 C SER A 26 18.928 -3.751 6.086 1.00 0.79 C ATOM 407 O SER A 26 19.826 -4.124 5.332 1.00 1.68 O ATOM 408 CB SER A 26 18.981 -5.925 7.320 1.00 0.79 C ATOM 409 OG SER A 26 18.246 -6.834 8.128 1.00 1.67 O ATOM 0 H SER A 26 17.050 -6.032 5.700 1.00 0.54 H new ATOM 0 HA SER A 26 17.816 -4.235 7.848 1.00 0.65 H new ATOM 0 HB2 SER A 26 19.333 -6.434 6.423 1.00 0.79 H new ATOM 0 HB3 SER A 26 19.864 -5.584 7.861 1.00 0.79 H new ATOM 0 HG SER A 26 18.816 -7.595 8.365 1.00 1.67 H new ATOM 415 N TYR A 27 18.575 -2.490 6.211 1.00 0.54 N ATOM 416 CA TYR A 27 19.146 -1.446 5.388 1.00 0.44 C ATOM 417 C TYR A 27 20.286 -0.738 6.110 1.00 0.43 C ATOM 418 O TYR A 27 21.005 0.054 5.509 1.00 0.40 O ATOM 419 CB TYR A 27 18.057 -0.444 5.020 1.00 0.40 C ATOM 420 CG TYR A 27 17.461 0.215 6.235 1.00 0.38 C ATOM 421 CD1 TYR A 27 16.507 -0.431 6.998 1.00 1.19 C ATOM 422 CD2 TYR A 27 17.888 1.465 6.634 1.00 1.31 C ATOM 423 CE1 TYR A 27 15.994 0.154 8.130 1.00 1.24 C ATOM 424 CE2 TYR A 27 17.383 2.069 7.760 1.00 1.32 C ATOM 425 CZ TYR A 27 16.434 1.411 8.511 1.00 0.50 C ATOM 426 OH TYR A 27 15.922 2.008 9.638 1.00 0.61 O ATOM 0 H TYR A 27 17.885 -2.160 6.885 1.00 0.54 H new ATOM 0 HA TYR A 27 19.553 -1.898 4.483 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.474 0.319 4.362 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.271 -0.952 4.461 1.00 0.40 H new ATOM 0 HD1 TYR A 27 16.160 -1.409 6.700 1.00 1.19 H new ATOM 0 HD2 TYR A 27 18.635 1.980 6.048 1.00 1.31 H new ATOM 0 HE1 TYR A 27 15.252 -0.363 8.720 1.00 1.24 H new ATOM 0 HE2 TYR A 27 17.727 3.050 8.053 1.00 1.32 H new ATOM 0 HH TYR A 27 16.340 2.886 9.762 1.00 0.61 H new ATOM 436 N GLN A 28 20.458 -1.026 7.399 1.00 0.55 N ATOM 437 CA GLN A 28 21.525 -0.395 8.174 1.00 0.63 C ATOM 438 C GLN A 28 22.878 -0.991 7.796 1.00 0.66 C ATOM 439 O GLN A 28 23.921 -0.562 8.282 1.00 0.77 O ATOM 440 CB GLN A 28 21.276 -0.530 9.679 1.00 0.74 C ATOM 441 CG GLN A 28 21.431 -1.943 10.208 1.00 1.35 C ATOM 442 CD GLN A 28 21.148 -2.041 11.692 1.00 1.68 C ATOM 443 OE1 GLN A 28 20.335 -1.290 12.235 1.00 2.31 O ATOM 444 NE2 GLN A 28 21.821 -2.962 12.360 1.00 1.92 N ATOM 0 H GLN A 28 19.881 -1.683 7.923 1.00 0.55 H new ATOM 0 HA GLN A 28 21.532 0.668 7.935 1.00 0.63 H new ATOM 0 HB2 GLN A 28 21.968 0.123 10.211 1.00 0.74 H new ATOM 0 HB3 GLN A 28 20.269 -0.178 9.903 1.00 0.74 H new ATOM 0 HG2 GLN A 28 20.755 -2.606 9.668 1.00 1.35 H new ATOM 0 HG3 GLN A 28 22.445 -2.292 10.011 1.00 1.35 H new ATOM 0 HE21 GLN A 28 22.485 -3.563 11.872 1.00 1.92 H new ATOM 0 HE22 GLN A 28 21.676 -3.072 13.364 1.00 1.92 H new ATOM 453 N ASP A 29 22.836 -1.989 6.920 1.00 0.68 N ATOM 454 CA ASP A 29 24.040 -2.559 6.329 1.00 0.81 C ATOM 455 C ASP A 29 24.519 -1.649 5.198 1.00 0.70 C ATOM 456 O ASP A 29 25.631 -1.779 4.690 1.00 0.86 O ATOM 457 CB ASP A 29 23.734 -3.969 5.808 1.00 0.95 C ATOM 458 CG ASP A 29 24.956 -4.703 5.285 1.00 1.66 C ATOM 459 OD1 ASP A 29 26.006 -4.680 5.961 1.00 2.34 O ATOM 460 OD2 ASP A 29 24.851 -5.350 4.218 1.00 2.31 O ATOM 0 H ASP A 29 21.970 -2.424 6.601 1.00 0.68 H new ATOM 0 HA ASP A 29 24.830 -2.634 7.076 1.00 0.81 H new ATOM 0 HB2 ASP A 29 23.285 -4.554 6.611 1.00 0.95 H new ATOM 0 HB3 ASP A 29 22.993 -3.900 5.011 1.00 0.95 H new ATOM 465 N ALA A 30 23.652 -0.715 4.820 1.00 0.55 N ATOM 466 CA ALA A 30 23.965 0.280 3.811 1.00 0.48 C ATOM 467 C ALA A 30 24.471 1.557 4.482 1.00 0.44 C ATOM 468 O ALA A 30 24.231 1.764 5.672 1.00 0.47 O ATOM 469 CB ALA A 30 22.724 0.565 2.968 1.00 0.47 C ATOM 0 H ALA A 30 22.712 -0.630 5.208 1.00 0.55 H new ATOM 0 HA ALA A 30 24.750 -0.098 3.156 1.00 0.48 H new ATOM 0 HB1 ALA A 30 22.962 1.312 2.211 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.396 -0.353 2.481 1.00 0.47 H new ATOM 0 HB3 ALA A 30 21.926 0.940 3.610 1.00 0.47 H new ATOM 475 N PRO A 31 25.196 2.420 3.743 1.00 0.45 N ATOM 476 CA PRO A 31 25.687 3.698 4.270 1.00 0.48 C ATOM 477 C PRO A 31 24.566 4.565 4.829 1.00 0.41 C ATOM 478 O PRO A 31 23.410 4.414 4.432 1.00 0.34 O ATOM 479 CB PRO A 31 26.329 4.376 3.057 1.00 0.57 C ATOM 480 CG PRO A 31 26.655 3.264 2.123 1.00 0.56 C ATOM 481 CD PRO A 31 25.612 2.206 2.350 1.00 0.50 C ATOM 0 HA PRO A 31 26.376 3.549 5.101 1.00 0.48 H new ATOM 0 HB2 PRO A 31 25.647 5.091 2.597 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.225 4.928 3.341 1.00 0.57 H new ATOM 0 HG2 PRO A 31 26.642 3.608 1.089 1.00 0.56 H new ATOM 0 HG3 PRO A 31 27.654 2.873 2.316 1.00 0.56 H new ATOM 0 HD2 PRO A 31 24.775 2.315 1.661 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.018 1.205 2.203 1.00 0.50 H new ATOM 489 N ASN A 32 24.910 5.466 5.741 1.00 0.45 N ATOM 490 CA ASN A 32 23.921 6.250 6.486 1.00 0.41 C ATOM 491 C ASN A 32 22.892 6.900 5.575 1.00 0.38 C ATOM 492 O ASN A 32 21.702 6.751 5.808 1.00 0.37 O ATOM 493 CB ASN A 32 24.639 7.287 7.365 1.00 0.50 C ATOM 494 CG ASN A 32 23.718 8.243 8.118 1.00 1.48 C ATOM 495 OD1 ASN A 32 22.713 8.724 7.603 1.00 2.40 O ATOM 496 ND2 ASN A 32 24.064 8.524 9.364 1.00 1.87 N ATOM 0 H ASN A 32 25.877 5.677 5.988 1.00 0.45 H new ATOM 0 HA ASN A 32 23.363 5.569 7.129 1.00 0.41 H new ATOM 0 HB2 ASN A 32 25.260 6.760 8.089 1.00 0.50 H new ATOM 0 HB3 ASN A 32 25.309 7.872 6.736 1.00 0.50 H new ATOM 0 HD21 ASN A 32 23.490 9.155 9.923 1.00 1.87 H new ATOM 0 HD22 ASN A 32 24.905 8.109 9.766 1.00 1.87 H new ATOM 503 N ASN A 33 23.317 7.589 4.535 1.00 0.42 N ATOM 504 CA ASN A 33 22.356 8.284 3.687 1.00 0.45 C ATOM 505 C ASN A 33 21.590 7.322 2.782 1.00 0.41 C ATOM 506 O ASN A 33 20.482 7.631 2.360 1.00 0.40 O ATOM 507 CB ASN A 33 22.999 9.398 2.872 1.00 0.58 C ATOM 508 CG ASN A 33 23.498 10.536 3.741 1.00 1.43 C ATOM 509 OD1 ASN A 33 24.631 10.521 4.227 1.00 2.14 O ATOM 510 ND2 ASN A 33 22.654 11.541 3.927 1.00 2.17 N ATOM 0 H ASN A 33 24.294 7.685 4.257 1.00 0.42 H new ATOM 0 HA ASN A 33 21.638 8.748 4.363 1.00 0.45 H new ATOM 0 HB2 ASN A 33 23.831 8.991 2.298 1.00 0.58 H new ATOM 0 HB3 ASN A 33 22.275 9.783 2.154 1.00 0.58 H new ATOM 0 HD21 ASN A 33 22.933 12.344 4.491 1.00 2.17 H new ATOM 0 HD22 ASN A 33 21.725 11.512 3.506 1.00 2.17 H new ATOM 517 N VAL A 34 22.155 6.151 2.494 1.00 0.42 N ATOM 518 CA VAL A 34 21.401 5.117 1.782 1.00 0.46 C ATOM 519 C VAL A 34 20.339 4.594 2.701 1.00 0.39 C ATOM 520 O VAL A 34 19.174 4.579 2.350 1.00 0.39 O ATOM 521 CB VAL A 34 22.275 3.942 1.300 1.00 0.60 C ATOM 522 CG1 VAL A 34 21.476 3.015 0.397 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.512 4.452 0.578 1.00 0.61 C ATOM 0 H VAL A 34 23.112 5.896 2.736 1.00 0.42 H new ATOM 0 HA VAL A 34 20.977 5.577 0.889 1.00 0.46 H new ATOM 0 HB VAL A 34 22.597 3.377 2.175 1.00 0.60 H new ATOM 0 HG11 VAL A 34 22.110 2.192 0.067 1.00 1.39 H new ATOM 0 HG12 VAL A 34 20.623 2.618 0.947 1.00 1.39 H new ATOM 0 HG13 VAL A 34 21.121 3.570 -0.471 1.00 1.39 H new ATOM 0 HG21 VAL A 34 24.114 3.606 0.246 1.00 0.61 H new ATOM 0 HG22 VAL A 34 23.211 5.044 -0.286 1.00 0.61 H new ATOM 0 HG23 VAL A 34 24.099 5.072 1.256 1.00 0.61 H new ATOM 533 N ARG A 35 20.736 4.234 3.901 1.00 0.37 N ATOM 534 CA ARG A 35 19.789 3.808 4.899 1.00 0.37 C ATOM 535 C ARG A 35 18.829 4.933 5.248 1.00 0.32 C ATOM 536 O ARG A 35 17.741 4.667 5.695 1.00 0.36 O ATOM 537 CB ARG A 35 20.453 3.187 6.128 1.00 0.42 C ATOM 538 CG ARG A 35 21.503 4.015 6.819 1.00 0.40 C ATOM 539 CD ARG A 35 22.352 3.108 7.680 1.00 0.50 C ATOM 540 NE ARG A 35 23.445 3.803 8.353 1.00 1.03 N ATOM 541 CZ ARG A 35 23.469 4.061 9.660 1.00 1.33 C ATOM 542 NH1 ARG A 35 22.423 3.759 10.423 1.00 1.61 N ATOM 543 NH2 ARG A 35 24.537 4.623 10.206 1.00 2.14 N ATOM 0 H ARG A 35 21.709 4.229 4.207 1.00 0.37 H new ATOM 0 HA ARG A 35 19.200 3.001 4.463 1.00 0.37 H new ATOM 0 HB2 ARG A 35 19.674 2.951 6.853 1.00 0.42 H new ATOM 0 HB3 ARG A 35 20.907 2.242 5.829 1.00 0.42 H new ATOM 0 HG2 ARG A 35 22.124 4.527 6.084 1.00 0.40 H new ATOM 0 HG3 ARG A 35 21.034 4.785 7.431 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.718 2.632 8.429 1.00 0.50 H new ATOM 0 HD3 ARG A 35 22.765 2.312 7.060 1.00 0.50 H new ATOM 0 HE ARG A 35 24.238 4.109 7.789 1.00 1.03 H new ATOM 0 HH11 ARG A 35 21.597 3.328 10.008 1.00 1.61 H new ATOM 0 HH12 ARG A 35 22.447 3.959 11.423 1.00 1.61 H new ATOM 0 HH21 ARG A 35 25.342 4.859 9.626 1.00 2.14 H new ATOM 0 HH22 ARG A 35 24.554 4.820 11.207 1.00 2.14 H new ATOM 557 N ARG A 36 19.279 6.181 5.164 1.00 0.29 N ATOM 558 CA ARG A 36 18.380 7.339 5.277 1.00 0.29 C ATOM 559 C ARG A 36 17.398 7.491 4.109 1.00 0.28 C ATOM 560 O ARG A 36 16.271 7.938 4.299 1.00 0.29 O ATOM 561 CB ARG A 36 19.160 8.625 5.403 1.00 0.33 C ATOM 562 CG ARG A 36 19.462 9.024 6.828 1.00 0.45 C ATOM 563 CD ARG A 36 19.623 7.820 7.738 1.00 0.75 C ATOM 564 NE ARG A 36 20.289 8.157 8.990 1.00 1.43 N ATOM 565 CZ ARG A 36 20.167 7.449 10.107 1.00 2.20 C ATOM 566 NH1 ARG A 36 19.291 6.456 10.168 1.00 2.57 N ATOM 567 NH2 ARG A 36 20.888 7.761 11.175 1.00 3.03 N ATOM 0 H ARG A 36 20.259 6.423 5.018 1.00 0.29 H new ATOM 0 HA ARG A 36 17.798 7.144 6.178 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.099 8.523 4.858 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.599 9.427 4.923 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.375 9.620 6.851 1.00 0.45 H new ATOM 0 HG3 ARG A 36 18.659 9.657 7.204 1.00 0.45 H new ATOM 0 HD2 ARG A 36 18.642 7.397 7.954 1.00 0.75 H new ATOM 0 HD3 ARG A 36 20.195 7.050 7.220 1.00 0.75 H new ATOM 0 HE ARG A 36 20.884 8.985 9.009 1.00 1.43 H new ATOM 0 HH11 ARG A 36 18.712 6.236 9.358 1.00 2.57 H new ATOM 0 HH12 ARG A 36 19.196 5.911 11.025 1.00 2.57 H new ATOM 0 HH21 ARG A 36 21.538 8.546 11.140 1.00 3.03 H new ATOM 0 HH22 ARG A 36 20.793 7.216 12.032 1.00 3.03 H new ATOM 581 N ASP A 37 17.813 7.184 2.897 1.00 0.30 N ATOM 582 CA ASP A 37 16.868 7.170 1.784 1.00 0.30 C ATOM 583 C ASP A 37 15.946 5.979 1.955 1.00 0.25 C ATOM 584 O ASP A 37 14.782 5.987 1.553 1.00 0.24 O ATOM 585 CB ASP A 37 17.585 7.138 0.438 1.00 0.37 C ATOM 586 CG ASP A 37 18.156 8.493 0.068 1.00 0.67 C ATOM 587 OD1 ASP A 37 17.362 9.444 -0.103 1.00 1.31 O ATOM 588 OD2 ASP A 37 19.387 8.612 -0.071 1.00 1.19 O ATOM 0 H ASP A 37 18.774 6.945 2.654 1.00 0.30 H new ATOM 0 HA ASP A 37 16.281 8.089 1.792 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.389 6.403 0.473 1.00 0.37 H new ATOM 0 HB3 ASP A 37 16.889 6.814 -0.336 1.00 0.37 H new ATOM 593 N LEU A 38 16.505 4.967 2.584 1.00 0.24 N ATOM 594 CA LEU A 38 15.765 3.846 3.114 1.00 0.22 C ATOM 595 C LEU A 38 14.918 4.299 4.317 1.00 0.23 C ATOM 596 O LEU A 38 13.901 3.692 4.623 1.00 0.24 O ATOM 597 CB LEU A 38 16.759 2.766 3.551 1.00 0.29 C ATOM 598 CG LEU A 38 17.154 1.702 2.522 1.00 0.30 C ATOM 599 CD1 LEU A 38 15.950 0.912 2.089 1.00 0.64 C ATOM 600 CD2 LEU A 38 17.816 2.275 1.309 1.00 0.47 C ATOM 0 H LEU A 38 17.510 4.901 2.744 1.00 0.24 H new ATOM 0 HA LEU A 38 15.098 3.447 2.350 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.669 3.264 3.885 1.00 0.29 H new ATOM 0 HB3 LEU A 38 16.339 2.255 4.417 1.00 0.29 H new ATOM 0 HG LEU A 38 17.875 1.056 3.022 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.251 0.161 1.358 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.508 0.419 2.955 1.00 0.64 H new ATOM 0 HD13 LEU A 38 15.217 1.582 1.640 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.071 1.470 0.619 1.00 0.47 H new ATOM 0 HD22 LEU A 38 17.136 2.972 0.818 1.00 0.47 H new ATOM 0 HD23 LEU A 38 18.724 2.801 1.604 1.00 0.47 H new ATOM 612 N ASP A 39 15.378 5.351 5.008 1.00 0.25 N ATOM 613 CA ASP A 39 14.625 5.961 6.106 1.00 0.28 C ATOM 614 C ASP A 39 13.385 6.621 5.561 1.00 0.28 C ATOM 615 O ASP A 39 12.302 6.504 6.121 1.00 0.32 O ATOM 616 CB ASP A 39 15.433 6.983 6.904 1.00 0.32 C ATOM 617 CG ASP A 39 16.139 6.355 8.094 1.00 0.71 C ATOM 618 OD1 ASP A 39 15.927 5.153 8.353 1.00 1.33 O ATOM 619 OD2 ASP A 39 16.885 7.069 8.793 1.00 1.59 O ATOM 0 H ASP A 39 16.276 5.798 4.822 1.00 0.25 H new ATOM 0 HA ASP A 39 14.368 5.155 6.794 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.171 7.450 6.251 1.00 0.32 H new ATOM 0 HB3 ASP A 39 14.770 7.775 7.253 1.00 0.32 H new ATOM 624 N ASN A 40 13.570 7.321 4.453 1.00 0.26 N ATOM 625 CA ASN A 40 12.466 7.877 3.694 1.00 0.26 C ATOM 626 C ASN A 40 11.533 6.763 3.257 1.00 0.23 C ATOM 627 O ASN A 40 10.320 6.868 3.405 1.00 0.25 O ATOM 628 CB ASN A 40 12.985 8.637 2.470 1.00 0.28 C ATOM 629 CG ASN A 40 13.467 10.034 2.808 1.00 0.68 C ATOM 630 OD1 ASN A 40 12.710 11.000 2.713 1.00 1.13 O ATOM 631 ND2 ASN A 40 14.722 10.156 3.208 1.00 1.22 N ATOM 0 H ASN A 40 14.489 7.518 4.057 1.00 0.26 H new ATOM 0 HA ASN A 40 11.920 8.576 4.328 1.00 0.26 H new ATOM 0 HB2 ASN A 40 13.802 8.075 2.018 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.192 8.701 1.725 1.00 0.28 H new ATOM 0 HD21 ASN A 40 15.093 11.075 3.450 1.00 1.22 H new ATOM 0 HD22 ASN A 40 15.319 9.331 3.274 1.00 1.22 H new ATOM 638 N LEU A 41 12.111 5.689 2.725 1.00 0.21 N ATOM 639 CA LEU A 41 11.335 4.525 2.323 1.00 0.21 C ATOM 640 C LEU A 41 10.543 3.975 3.504 1.00 0.22 C ATOM 641 O LEU A 41 9.347 3.736 3.397 1.00 0.24 O ATOM 642 CB LEU A 41 12.243 3.430 1.766 1.00 0.21 C ATOM 643 CG LEU A 41 11.499 2.220 1.199 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.739 2.607 -0.060 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.462 1.079 0.920 1.00 1.20 C ATOM 0 H LEU A 41 13.114 5.603 2.563 1.00 0.21 H new ATOM 0 HA LEU A 41 10.643 4.841 1.542 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.868 3.857 0.982 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.912 3.092 2.558 1.00 0.21 H new ATOM 0 HG LEU A 41 10.779 1.878 1.943 1.00 0.58 H new ATOM 0 HD11 LEU A 41 10.215 1.735 -0.451 1.00 0.39 H new ATOM 0 HD12 LEU A 41 10.017 3.388 0.177 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.440 2.975 -0.809 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.912 0.229 0.517 1.00 1.20 H new ATOM 0 HD22 LEU A 41 13.210 1.403 0.196 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.956 0.786 1.846 1.00 1.20 H new ATOM 657 N HIS A 42 11.217 3.789 4.629 1.00 0.27 N ATOM 658 CA HIS A 42 10.589 3.244 5.821 1.00 0.35 C ATOM 659 C HIS A 42 9.486 4.141 6.316 1.00 0.39 C ATOM 660 O HIS A 42 8.351 3.704 6.457 1.00 0.47 O ATOM 661 CB HIS A 42 11.608 3.019 6.937 1.00 0.40 C ATOM 662 CG HIS A 42 12.025 1.596 7.034 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.503 1.009 8.184 1.00 1.01 N ATOM 664 CD2 HIS A 42 12.011 0.636 6.095 1.00 0.94 C ATOM 665 CE1 HIS A 42 12.770 -0.262 7.943 1.00 1.19 C ATOM 666 NE2 HIS A 42 12.480 -0.513 6.679 1.00 1.15 N ATOM 0 H HIS A 42 12.207 4.010 4.740 1.00 0.27 H new ATOM 0 HA HIS A 42 10.161 2.281 5.542 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.484 3.642 6.758 1.00 0.40 H new ATOM 0 HB3 HIS A 42 11.180 3.337 7.888 1.00 0.40 H new ATOM 0 HD2 HIS A 42 11.690 0.748 5.070 1.00 0.94 H new ATOM 0 HE1 HIS A 42 13.159 -0.973 8.657 1.00 1.19 H new ATOM 0 HE2 HIS A 42 12.587 -1.414 6.213 1.00 1.15 H new ATOM 675 N ALA A 43 9.820 5.395 6.552 1.00 0.42 N ATOM 676 CA ALA A 43 8.862 6.342 7.069 1.00 0.49 C ATOM 677 C ALA A 43 7.678 6.479 6.127 1.00 0.48 C ATOM 678 O ALA A 43 6.546 6.397 6.562 1.00 0.51 O ATOM 679 CB ALA A 43 9.522 7.691 7.302 1.00 0.56 C ATOM 0 H ALA A 43 10.751 5.779 6.392 1.00 0.42 H new ATOM 0 HA ALA A 43 8.493 5.970 8.025 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.786 8.394 7.692 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.334 7.580 8.021 1.00 0.56 H new ATOM 0 HB3 ALA A 43 9.921 8.068 6.360 1.00 0.56 H new ATOM 685 N CYS A 44 7.941 6.670 4.839 1.00 0.44 N ATOM 686 CA CYS A 44 6.866 6.862 3.871 1.00 0.46 C ATOM 687 C CYS A 44 6.082 5.585 3.549 1.00 0.42 C ATOM 688 O CYS A 44 4.916 5.671 3.192 1.00 0.43 O ATOM 689 CB CYS A 44 7.377 7.496 2.587 1.00 0.47 C ATOM 690 SG CYS A 44 8.271 9.048 2.838 1.00 1.61 S ATOM 0 H CYS A 44 8.881 6.696 4.443 1.00 0.44 H new ATOM 0 HA CYS A 44 6.168 7.543 4.358 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.033 6.788 2.081 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.532 7.679 1.923 1.00 0.47 H new ATOM 0 HG CYS A 44 9.498 8.791 3.181 1.00 1.61 H new ATOM 696 N LEU A 45 6.710 4.410 3.628 1.00 0.39 N ATOM 697 CA LEU A 45 5.994 3.154 3.352 1.00 0.38 C ATOM 698 C LEU A 45 5.216 2.707 4.574 1.00 0.36 C ATOM 699 O LEU A 45 4.130 2.137 4.471 1.00 0.35 O ATOM 700 CB LEU A 45 6.945 2.039 2.910 1.00 0.39 C ATOM 701 CG LEU A 45 7.069 1.846 1.397 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.789 1.251 0.840 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.383 3.165 0.704 1.00 1.87 C ATOM 0 H LEU A 45 7.693 4.297 3.875 1.00 0.39 H new ATOM 0 HA LEU A 45 5.303 3.352 2.533 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.935 2.247 3.315 1.00 0.39 H new ATOM 0 HB3 LEU A 45 6.610 1.101 3.353 1.00 0.39 H new ATOM 0 HG LEU A 45 7.892 1.158 1.206 1.00 0.95 H new ATOM 0 HD11 LEU A 45 5.888 1.118 -0.237 1.00 0.69 H new ATOM 0 HD12 LEU A 45 5.602 0.285 1.309 1.00 0.69 H new ATOM 0 HD13 LEU A 45 4.955 1.922 1.047 1.00 0.69 H new ATOM 0 HD21 LEU A 45 7.466 3.001 -0.370 1.00 1.87 H new ATOM 0 HD22 LEU A 45 6.583 3.879 0.901 1.00 1.87 H new ATOM 0 HD23 LEU A 45 8.325 3.561 1.084 1.00 1.87 H new ATOM 715 N ASN A 46 5.783 2.965 5.730 1.00 0.40 N ATOM 716 CA ASN A 46 5.078 2.768 6.975 1.00 0.45 C ATOM 717 C ASN A 46 3.912 3.764 7.038 1.00 0.43 C ATOM 718 O ASN A 46 2.771 3.388 7.307 1.00 0.42 O ATOM 719 CB ASN A 46 6.076 2.920 8.135 1.00 0.53 C ATOM 720 CG ASN A 46 5.430 3.372 9.433 1.00 0.59 C ATOM 721 OD1 ASN A 46 5.344 4.565 9.714 1.00 1.25 O ATOM 722 ND2 ASN A 46 4.981 2.426 10.236 1.00 1.00 N ATOM 0 H ASN A 46 6.736 3.314 5.834 1.00 0.40 H new ATOM 0 HA ASN A 46 4.651 1.768 7.050 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.577 1.966 8.300 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.845 3.639 7.851 1.00 0.53 H new ATOM 0 HD21 ASN A 46 4.545 2.675 11.124 1.00 1.00 H new ATOM 0 HD22 ASN A 46 5.070 1.446 9.969 1.00 1.00 H new ATOM 729 N LYS A 47 4.217 5.028 6.751 1.00 0.49 N ATOM 730 CA LYS A 47 3.214 6.065 6.504 1.00 0.47 C ATOM 731 C LYS A 47 2.239 5.676 5.389 1.00 0.42 C ATOM 732 O LYS A 47 1.112 6.140 5.371 1.00 0.43 O ATOM 733 CB LYS A 47 3.918 7.374 6.136 1.00 0.53 C ATOM 734 CG LYS A 47 3.003 8.482 5.646 1.00 1.02 C ATOM 735 CD LYS A 47 3.786 9.737 5.303 1.00 1.07 C ATOM 736 CE LYS A 47 4.655 9.532 4.077 1.00 1.30 C ATOM 737 NZ LYS A 47 5.539 10.697 3.825 1.00 2.15 N ATOM 0 H LYS A 47 5.177 5.366 6.682 1.00 0.49 H new ATOM 0 HA LYS A 47 2.633 6.188 7.418 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.463 7.733 7.009 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.657 7.166 5.363 1.00 0.53 H new ATOM 0 HG2 LYS A 47 2.455 8.142 4.767 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.264 8.711 6.413 1.00 1.02 H new ATOM 0 HD2 LYS A 47 3.095 10.561 5.127 1.00 1.07 H new ATOM 0 HD3 LYS A 47 4.411 10.020 6.150 1.00 1.07 H new ATOM 0 HE2 LYS A 47 5.263 8.637 4.208 1.00 1.30 H new ATOM 0 HE3 LYS A 47 4.021 9.362 3.207 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 6.466 10.364 3.491 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 5.110 11.309 3.102 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 5.662 11.236 4.706 1.00 2.15 H new ATOM 751 N ALA A 48 2.670 4.843 4.453 1.00 0.40 N ATOM 752 CA ALA A 48 1.786 4.402 3.381 1.00 0.38 C ATOM 753 C ALA A 48 0.696 3.514 3.951 1.00 0.36 C ATOM 754 O ALA A 48 -0.471 3.632 3.586 1.00 0.36 O ATOM 755 CB ALA A 48 2.555 3.682 2.285 1.00 0.41 C ATOM 0 H ALA A 48 3.615 4.462 4.412 1.00 0.40 H new ATOM 0 HA ALA A 48 1.328 5.281 2.928 1.00 0.38 H new ATOM 0 HB1 ALA A 48 1.864 3.367 1.503 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.301 4.355 1.862 1.00 0.41 H new ATOM 0 HB3 ALA A 48 3.052 2.807 2.704 1.00 0.41 H new ATOM 761 N LYS A 49 1.073 2.663 4.893 1.00 0.37 N ATOM 762 CA LYS A 49 0.112 1.816 5.577 1.00 0.41 C ATOM 763 C LYS A 49 -0.775 2.683 6.454 1.00 0.46 C ATOM 764 O LYS A 49 -1.934 2.365 6.710 1.00 0.56 O ATOM 765 CB LYS A 49 0.834 0.776 6.431 1.00 0.41 C ATOM 766 CG LYS A 49 1.786 -0.104 5.640 1.00 0.39 C ATOM 767 CD LYS A 49 2.442 -1.142 6.523 1.00 0.42 C ATOM 768 CE LYS A 49 3.438 -0.516 7.489 1.00 0.45 C ATOM 769 NZ LYS A 49 3.800 -1.445 8.593 1.00 1.03 N ATOM 0 H LYS A 49 2.038 2.542 5.200 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.497 1.292 4.840 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.392 1.286 7.216 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.094 0.145 6.924 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.242 -0.600 4.836 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.552 0.515 5.173 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.677 -1.676 7.086 1.00 0.42 H new ATOM 0 HD3 LYS A 49 2.952 -1.878 5.901 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.339 -0.229 6.946 1.00 0.45 H new ATOM 0 HE3 LYS A 49 3.013 0.397 7.907 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.480 -0.981 9.228 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 2.945 -1.699 9.127 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.229 -2.305 8.196 1.00 1.03 H new ATOM 783 N LEU A 50 -0.200 3.787 6.905 1.00 0.44 N ATOM 784 CA LEU A 50 -0.916 4.780 7.684 1.00 0.51 C ATOM 785 C LEU A 50 -1.966 5.490 6.827 1.00 0.44 C ATOM 786 O LEU A 50 -3.124 5.595 7.217 1.00 0.43 O ATOM 787 CB LEU A 50 0.083 5.789 8.258 1.00 0.62 C ATOM 788 CG LEU A 50 1.044 5.219 9.303 1.00 1.02 C ATOM 789 CD1 LEU A 50 1.877 6.332 9.913 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.281 4.465 10.384 1.00 0.75 C ATOM 0 H LEU A 50 0.780 4.018 6.739 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.437 4.283 8.502 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.667 6.207 7.438 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.472 6.613 8.707 1.00 0.62 H new ATOM 0 HG LEU A 50 1.713 4.515 8.809 1.00 1.02 H new ATOM 0 HD11 LEU A 50 2.557 5.913 10.655 1.00 2.08 H new ATOM 0 HD12 LEU A 50 2.454 6.826 9.131 1.00 2.08 H new ATOM 0 HD13 LEU A 50 1.220 7.058 10.392 1.00 2.08 H new ATOM 0 HD21 LEU A 50 0.984 4.068 11.116 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.414 5.143 10.879 1.00 0.75 H new ATOM 0 HD23 LEU A 50 -0.274 3.643 9.932 1.00 0.75 H new ATOM 802 N THR A 51 -1.558 5.953 5.649 1.00 0.41 N ATOM 803 CA THR A 51 -2.455 6.668 4.748 1.00 0.40 C ATOM 804 C THR A 51 -3.573 5.770 4.244 1.00 0.35 C ATOM 805 O THR A 51 -4.723 6.188 4.168 1.00 0.34 O ATOM 806 CB THR A 51 -1.700 7.258 3.540 1.00 0.43 C ATOM 807 OG1 THR A 51 -0.939 6.244 2.870 1.00 0.48 O ATOM 808 CG2 THR A 51 -0.776 8.376 3.976 1.00 0.54 C ATOM 0 H THR A 51 -0.607 5.845 5.295 1.00 0.41 H new ATOM 0 HA THR A 51 -2.886 7.483 5.329 1.00 0.40 H new ATOM 0 HB THR A 51 -2.443 7.659 2.851 1.00 0.43 H new ATOM 0 HG1 THR A 51 -0.942 5.424 3.407 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.254 8.777 3.107 1.00 0.54 H new ATOM 0 HG22 THR A 51 -1.359 9.168 4.446 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.048 7.989 4.690 1.00 0.54 H new ATOM 816 N VAL A 52 -3.233 4.539 3.897 1.00 0.34 N ATOM 817 CA VAL A 52 -4.219 3.583 3.427 1.00 0.31 C ATOM 818 C VAL A 52 -5.104 3.129 4.579 1.00 0.27 C ATOM 819 O VAL A 52 -6.316 2.976 4.423 1.00 0.28 O ATOM 820 CB VAL A 52 -3.534 2.372 2.754 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.550 1.354 2.276 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.669 2.832 1.592 1.00 0.43 C ATOM 0 H VAL A 52 -2.279 4.179 3.933 1.00 0.34 H new ATOM 0 HA VAL A 52 -4.845 4.073 2.681 1.00 0.31 H new ATOM 0 HB VAL A 52 -2.903 1.891 3.501 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -4.033 0.516 1.808 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -5.131 0.994 3.125 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.218 1.819 1.551 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.193 1.968 1.128 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.290 3.343 0.856 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -1.903 3.516 1.957 1.00 0.43 H new ATOM 832 N GLY A 53 -4.488 2.942 5.735 1.00 0.27 N ATOM 833 CA GLY A 53 -5.240 2.659 6.937 1.00 0.30 C ATOM 834 C GLY A 53 -6.253 3.748 7.195 1.00 0.27 C ATOM 835 O GLY A 53 -7.413 3.484 7.515 1.00 0.27 O ATOM 0 H GLY A 53 -3.477 2.981 5.862 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.746 1.699 6.839 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.562 2.576 7.786 1.00 0.30 H new ATOM 839 N ARG A 54 -5.808 4.984 7.025 1.00 0.27 N ATOM 840 CA ARG A 54 -6.662 6.140 7.207 1.00 0.27 C ATOM 841 C ARG A 54 -7.617 6.359 6.047 1.00 0.24 C ATOM 842 O ARG A 54 -8.611 7.057 6.194 1.00 0.25 O ATOM 843 CB ARG A 54 -5.834 7.377 7.464 1.00 0.38 C ATOM 844 CG ARG A 54 -5.131 7.309 8.800 1.00 0.89 C ATOM 845 CD ARG A 54 -4.376 8.579 9.082 1.00 1.02 C ATOM 846 NE ARG A 54 -5.257 9.742 9.204 1.00 1.79 N ATOM 847 CZ ARG A 54 -4.820 10.992 9.362 1.00 2.26 C ATOM 848 NH1 ARG A 54 -3.514 11.246 9.385 1.00 2.18 N ATOM 849 NH2 ARG A 54 -5.690 11.989 9.473 1.00 3.18 N ATOM 0 H ARG A 54 -4.850 5.210 6.758 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.281 5.939 8.082 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.097 7.493 6.670 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.476 8.258 7.434 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -5.861 7.134 9.590 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -4.443 6.464 8.809 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.806 8.461 10.003 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -3.657 8.755 8.282 1.00 1.02 H new ATOM 0 HE ARG A 54 -6.264 9.587 9.166 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -2.844 10.484 9.282 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -3.183 12.203 9.506 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -6.691 11.798 9.437 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -5.357 12.945 9.594 1.00 3.18 H new ATOM 863 N MET A 55 -7.326 5.781 4.896 1.00 0.23 N ATOM 864 CA MET A 55 -8.258 5.850 3.787 1.00 0.24 C ATOM 865 C MET A 55 -9.409 4.900 4.062 1.00 0.21 C ATOM 866 O MET A 55 -10.563 5.183 3.742 1.00 0.23 O ATOM 867 CB MET A 55 -7.585 5.512 2.461 1.00 0.28 C ATOM 868 CG MET A 55 -8.447 5.867 1.265 1.00 0.34 C ATOM 869 SD MET A 55 -8.810 7.631 1.201 1.00 0.68 S ATOM 870 CE MET A 55 -10.135 7.658 0.001 1.00 0.41 C ATOM 0 H MET A 55 -6.466 5.266 4.706 1.00 0.23 H new ATOM 0 HA MET A 55 -8.629 6.871 3.700 1.00 0.24 H new ATOM 0 HB2 MET A 55 -6.637 6.045 2.392 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.355 4.447 2.435 1.00 0.28 H new ATOM 0 HG2 MET A 55 -7.938 5.567 0.349 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.380 5.305 1.310 1.00 0.34 H new ATOM 0 HE1 MET A 55 -10.313 8.684 -0.321 1.00 0.41 H new ATOM 0 HE2 MET A 55 -9.858 7.050 -0.860 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.042 7.256 0.452 1.00 0.41 H new ATOM 880 N VAL A 56 -9.083 3.775 4.683 1.00 0.20 N ATOM 881 CA VAL A 56 -10.094 2.881 5.209 1.00 0.22 C ATOM 882 C VAL A 56 -10.881 3.606 6.293 1.00 0.21 C ATOM 883 O VAL A 56 -12.100 3.511 6.357 1.00 0.25 O ATOM 884 CB VAL A 56 -9.470 1.594 5.788 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.539 0.681 6.373 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.672 0.866 4.718 1.00 0.26 C ATOM 0 H VAL A 56 -8.123 3.463 4.833 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.755 2.589 4.393 1.00 0.22 H new ATOM 0 HB VAL A 56 -8.794 1.878 6.595 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -10.070 -0.218 6.774 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -11.065 1.203 7.172 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.248 0.404 5.593 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.238 -0.040 5.141 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.330 0.601 3.891 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -7.875 1.515 4.354 1.00 0.26 H new ATOM 896 N THR A 57 -10.165 4.363 7.116 1.00 0.19 N ATOM 897 CA THR A 57 -10.782 5.177 8.154 1.00 0.22 C ATOM 898 C THR A 57 -11.703 6.232 7.540 1.00 0.21 C ATOM 899 O THR A 57 -12.747 6.551 8.100 1.00 0.25 O ATOM 900 CB THR A 57 -9.712 5.856 9.030 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.749 4.883 9.468 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.343 6.520 10.245 1.00 0.33 C ATOM 0 H THR A 57 -9.148 4.429 7.083 1.00 0.19 H new ATOM 0 HA THR A 57 -11.378 4.517 8.784 1.00 0.22 H new ATOM 0 HB THR A 57 -9.219 6.621 8.430 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.424 4.374 8.696 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.566 6.992 10.846 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.057 7.276 9.917 1.00 0.33 H new ATOM 0 HG23 THR A 57 -10.859 5.769 10.843 1.00 0.33 H new ATOM 910 N SER A 58 -11.312 6.758 6.384 1.00 0.24 N ATOM 911 CA SER A 58 -12.120 7.729 5.657 1.00 0.28 C ATOM 912 C SER A 58 -13.487 7.142 5.304 1.00 0.26 C ATOM 913 O SER A 58 -14.514 7.795 5.459 1.00 0.32 O ATOM 914 CB SER A 58 -11.383 8.177 4.387 1.00 0.34 C ATOM 915 OG SER A 58 -12.032 9.278 3.776 1.00 1.20 O ATOM 0 H SER A 58 -10.431 6.524 5.927 1.00 0.24 H new ATOM 0 HA SER A 58 -12.281 8.597 6.297 1.00 0.28 H new ATOM 0 HB2 SER A 58 -10.357 8.449 4.636 1.00 0.34 H new ATOM 0 HB3 SER A 58 -11.330 7.347 3.683 1.00 0.34 H new ATOM 0 HG SER A 58 -11.540 9.542 2.971 1.00 1.20 H new ATOM 921 N LEU A 59 -13.501 5.910 4.818 1.00 0.23 N ATOM 922 CA LEU A 59 -14.758 5.216 4.545 1.00 0.23 C ATOM 923 C LEU A 59 -15.452 4.807 5.850 1.00 0.23 C ATOM 924 O LEU A 59 -16.676 4.837 5.954 1.00 0.30 O ATOM 925 CB LEU A 59 -14.523 3.979 3.662 1.00 0.29 C ATOM 926 CG LEU A 59 -14.436 4.223 2.141 1.00 0.34 C ATOM 927 CD1 LEU A 59 -13.309 5.184 1.794 1.00 1.39 C ATOM 928 CD2 LEU A 59 -14.251 2.900 1.413 1.00 1.45 C ATOM 0 H LEU A 59 -12.663 5.369 4.604 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.407 5.907 4.008 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.598 3.501 3.984 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.329 3.270 3.848 1.00 0.29 H new ATOM 0 HG LEU A 59 -15.370 4.682 1.817 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -13.277 5.333 0.715 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -13.482 6.141 2.287 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -12.360 4.768 2.131 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -14.190 3.081 0.340 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -13.332 2.423 1.753 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -15.098 2.247 1.624 1.00 1.45 H new ATOM 940 N LEU A 60 -14.649 4.456 6.849 1.00 0.20 N ATOM 941 CA LEU A 60 -15.153 3.894 8.103 1.00 0.23 C ATOM 942 C LEU A 60 -15.706 4.949 9.057 1.00 0.28 C ATOM 943 O LEU A 60 -16.277 4.609 10.096 1.00 0.33 O ATOM 944 CB LEU A 60 -14.047 3.101 8.806 1.00 0.24 C ATOM 945 CG LEU A 60 -14.134 1.577 8.662 1.00 0.58 C ATOM 946 CD1 LEU A 60 -15.353 1.039 9.394 1.00 1.43 C ATOM 947 CD2 LEU A 60 -14.184 1.181 7.197 1.00 0.59 C ATOM 0 H LEU A 60 -13.634 4.551 6.816 1.00 0.20 H new ATOM 0 HA LEU A 60 -15.981 3.238 7.836 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.084 3.431 8.417 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.064 3.350 9.867 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.240 1.141 9.109 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -15.397 -0.044 9.280 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.282 1.290 10.452 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.255 1.485 8.975 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -14.246 0.096 7.115 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.059 1.630 6.728 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -13.283 1.532 6.694 1.00 0.59 H new ATOM 959 N GLU A 61 -15.542 6.218 8.730 1.00 0.32 N ATOM 960 CA GLU A 61 -16.039 7.275 9.599 1.00 0.42 C ATOM 961 C GLU A 61 -17.475 7.665 9.256 1.00 0.45 C ATOM 962 O GLU A 61 -18.089 8.455 9.972 1.00 0.59 O ATOM 963 CB GLU A 61 -15.128 8.504 9.557 1.00 0.56 C ATOM 964 CG GLU A 61 -14.686 8.896 8.164 1.00 0.77 C ATOM 965 CD GLU A 61 -14.116 10.294 8.101 1.00 1.74 C ATOM 966 OE1 GLU A 61 -12.910 10.465 8.385 1.00 2.46 O ATOM 967 OE2 GLU A 61 -14.872 11.233 7.779 1.00 2.36 O ATOM 0 H GLU A 61 -15.076 6.541 7.882 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.035 6.878 10.614 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -15.650 9.346 10.012 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -14.245 8.310 10.166 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -13.936 8.187 7.813 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -15.535 8.824 7.485 1.00 0.77 H new ATOM 974 N LYS A 62 -18.030 7.090 8.193 1.00 0.46 N ATOM 975 CA LYS A 62 -19.388 7.422 7.784 1.00 0.53 C ATOM 976 C LYS A 62 -20.235 6.168 7.602 1.00 0.43 C ATOM 977 O LYS A 62 -19.842 5.222 6.921 1.00 0.41 O ATOM 978 CB LYS A 62 -19.381 8.287 6.528 1.00 0.70 C ATOM 979 CG LYS A 62 -18.388 7.848 5.474 1.00 0.62 C ATOM 980 CD LYS A 62 -17.960 9.034 4.640 1.00 0.76 C ATOM 981 CE LYS A 62 -16.809 8.695 3.711 1.00 0.72 C ATOM 982 NZ LYS A 62 -16.250 9.912 3.072 1.00 0.97 N ATOM 0 H LYS A 62 -17.564 6.399 7.605 1.00 0.46 H new ATOM 0 HA LYS A 62 -19.848 8.005 8.582 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -20.380 8.283 6.093 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -19.161 9.316 6.811 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.518 7.394 5.949 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -18.836 7.087 4.835 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -18.807 9.388 4.052 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -17.665 9.851 5.298 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -16.026 8.185 4.271 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -17.153 8.004 2.941 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -16.459 9.896 2.053 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -16.679 10.757 3.500 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -15.220 9.937 3.214 1.00 0.97 H new ATOM 996 N PRO A 63 -21.433 6.183 8.196 1.00 0.46 N ATOM 997 CA PRO A 63 -22.231 4.976 8.427 1.00 0.48 C ATOM 998 C PRO A 63 -22.776 4.337 7.152 1.00 0.42 C ATOM 999 O PRO A 63 -22.779 3.108 7.031 1.00 0.42 O ATOM 1000 CB PRO A 63 -23.371 5.466 9.322 1.00 0.65 C ATOM 1001 CG PRO A 63 -23.482 6.928 9.059 1.00 0.69 C ATOM 1002 CD PRO A 63 -22.109 7.402 8.671 1.00 0.59 C ATOM 0 HA PRO A 63 -21.624 4.187 8.871 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.303 4.953 9.086 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -23.157 5.271 10.373 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -24.199 7.125 8.262 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -23.838 7.455 9.945 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -22.155 8.163 7.892 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.585 7.845 9.518 1.00 0.59 H new ATOM 1010 N SER A 64 -23.230 5.157 6.208 1.00 0.43 N ATOM 1011 CA SER A 64 -23.775 4.646 4.956 1.00 0.46 C ATOM 1012 C SER A 64 -22.706 3.866 4.207 1.00 0.42 C ATOM 1013 O SER A 64 -22.933 2.742 3.756 1.00 0.43 O ATOM 1014 CB SER A 64 -24.277 5.799 4.091 1.00 0.57 C ATOM 1015 OG SER A 64 -25.045 6.708 4.862 1.00 1.46 O ATOM 0 H SER A 64 -23.231 6.174 6.286 1.00 0.43 H new ATOM 0 HA SER A 64 -24.611 3.983 5.180 1.00 0.46 H new ATOM 0 HB2 SER A 64 -23.430 6.319 3.643 1.00 0.57 H new ATOM 0 HB3 SER A 64 -24.881 5.409 3.272 1.00 0.57 H new ATOM 0 HG SER A 64 -25.356 7.441 4.290 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.538 4.479 4.094 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.392 3.857 3.459 1.00 0.39 C ATOM 1023 C VAL A 65 -20.006 2.561 4.169 1.00 0.34 C ATOM 1024 O VAL A 65 -19.807 1.527 3.526 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.196 4.829 3.453 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -17.958 4.174 2.875 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.540 6.092 2.679 1.00 0.47 C ATOM 0 H VAL A 65 -21.360 5.422 4.441 1.00 0.40 H new ATOM 0 HA VAL A 65 -20.665 3.616 2.432 1.00 0.39 H new ATOM 0 HB VAL A 65 -18.980 5.100 4.486 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.132 4.885 2.885 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -17.694 3.303 3.474 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.156 3.862 1.850 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -18.684 6.767 2.685 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -19.790 5.832 1.650 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.393 6.584 3.146 1.00 0.47 H new ATOM 1037 N VAL A 66 -19.933 2.614 5.497 1.00 0.34 N ATOM 1038 CA VAL A 66 -19.595 1.438 6.289 1.00 0.31 C ATOM 1039 C VAL A 66 -20.576 0.301 6.030 1.00 0.32 C ATOM 1040 O VAL A 66 -20.164 -0.806 5.686 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.572 1.744 7.805 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.315 0.479 8.615 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -18.519 2.788 8.123 1.00 0.34 C ATOM 0 H VAL A 66 -20.103 3.458 6.045 1.00 0.34 H new ATOM 0 HA VAL A 66 -18.594 1.137 5.979 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.551 2.136 8.081 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.304 0.723 9.677 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.104 -0.246 8.418 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.352 0.054 8.330 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.518 2.990 9.194 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -17.538 2.419 7.823 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -18.742 3.707 7.581 1.00 0.34 H new ATOM 1053 N ALA A 67 -21.872 0.592 6.155 1.00 0.34 N ATOM 1054 CA ALA A 67 -22.905 -0.437 6.066 1.00 0.36 C ATOM 1055 C ALA A 67 -22.889 -1.145 4.724 1.00 0.32 C ATOM 1056 O ALA A 67 -23.187 -2.332 4.644 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.279 0.151 6.317 1.00 0.41 C ATOM 0 H ALA A 67 -22.230 1.533 6.318 1.00 0.34 H new ATOM 0 HA ALA A 67 -22.683 -1.173 6.839 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.030 -0.636 6.245 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.310 0.592 7.313 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.487 0.920 5.573 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.565 -0.415 3.673 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.513 -0.998 2.346 1.00 0.27 C ATOM 1065 C TYR A 68 -21.345 -1.956 2.183 1.00 0.23 C ATOM 1066 O TYR A 68 -21.474 -2.974 1.508 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.574 0.071 1.266 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.012 0.370 0.919 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.740 1.316 1.628 1.00 1.45 C ATOM 1070 CD2 TYR A 68 -24.659 -0.346 -0.080 1.00 1.46 C ATOM 1071 CE1 TYR A 68 -26.073 1.547 1.349 1.00 1.86 C ATOM 1072 CE2 TYR A 68 -25.989 -0.115 -0.373 1.00 1.88 C ATOM 1073 CZ TYR A 68 -26.693 0.829 0.349 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.022 1.053 0.068 1.00 2.35 O ATOM 0 H TYR A 68 -22.335 0.578 3.712 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.406 -1.610 2.220 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.078 0.978 1.612 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.039 -0.266 0.378 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.256 1.881 2.411 1.00 1.45 H new ATOM 0 HD2 TYR A 68 -24.114 -1.095 -0.636 1.00 1.46 H new ATOM 0 HE1 TYR A 68 -26.626 2.285 1.911 1.00 1.86 H new ATOM 0 HE2 TYR A 68 -26.476 -0.669 -1.162 1.00 1.88 H new ATOM 0 HH TYR A 68 -28.305 0.466 -0.664 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.216 -1.636 2.798 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.075 -2.544 2.801 1.00 0.19 C ATOM 1086 C LEU A 69 -19.422 -3.848 3.524 1.00 0.24 C ATOM 1087 O LEU A 69 -19.152 -4.939 3.022 1.00 0.27 O ATOM 1088 CB LEU A 69 -17.879 -1.874 3.479 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.434 -0.580 2.824 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.468 0.178 3.718 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.808 -0.855 1.468 1.00 0.29 C ATOM 0 H LEU A 69 -20.064 -0.761 3.299 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.818 -2.780 1.768 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.132 -1.672 4.520 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.042 -2.572 3.484 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.315 0.044 2.675 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.164 1.102 3.225 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -16.956 0.415 4.663 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -15.589 -0.438 3.908 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.495 0.085 1.014 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -15.941 -1.504 1.592 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.538 -1.344 0.823 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.028 -3.737 4.700 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.393 -4.918 5.482 1.00 0.43 C ATOM 1105 C GLU A 70 -21.586 -5.623 4.877 1.00 0.49 C ATOM 1106 O GLU A 70 -21.771 -6.830 5.042 1.00 0.60 O ATOM 1107 CB GLU A 70 -20.690 -4.548 6.933 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.186 -3.125 7.112 1.00 0.49 C ATOM 1109 CD GLU A 70 -21.523 -2.774 8.551 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -20.936 -3.373 9.475 1.00 1.25 O ATOM 1111 OE2 GLU A 70 -22.388 -1.898 8.772 1.00 1.26 O ATOM 0 H GLU A 70 -20.277 -2.848 5.133 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.540 -5.596 5.464 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.437 -5.236 7.328 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -19.786 -4.685 7.526 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.425 -2.435 6.748 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.072 -2.978 6.494 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.386 -4.846 4.178 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.544 -5.370 3.512 1.00 0.57 C ATOM 1120 C GLY A 71 -24.690 -5.592 4.461 1.00 0.69 C ATOM 1121 O GLY A 71 -25.390 -6.602 4.385 1.00 0.92 O ATOM 0 H GLY A 71 -22.248 -3.842 4.060 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -23.853 -4.681 2.726 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.288 -6.312 3.027 1.00 0.57 H new ATOM 1185 N PRO B 2 16.420 -13.472 -1.835 1.00 0.76 N ATOM 1186 CA PRO B 2 15.956 -12.160 -2.287 1.00 0.64 C ATOM 1187 C PRO B 2 16.702 -11.018 -1.611 1.00 0.58 C ATOM 1188 O PRO B 2 16.816 -10.966 -0.385 1.00 0.64 O ATOM 1189 CB PRO B 2 14.470 -12.135 -1.897 1.00 0.69 C ATOM 1190 CG PRO B 2 14.294 -13.262 -0.938 1.00 0.80 C ATOM 1191 CD PRO B 2 15.311 -14.292 -1.329 1.00 0.84 C ATOM 0 HA PRO B 2 16.126 -12.022 -3.355 1.00 0.64 H new ATOM 0 HB2 PRO B 2 14.200 -11.183 -1.439 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.832 -12.260 -2.772 1.00 0.69 H new ATOM 0 HG2 PRO B 2 14.448 -12.930 0.089 1.00 0.80 H new ATOM 0 HG3 PRO B 2 13.284 -13.669 -0.993 1.00 0.80 H new ATOM 0 HD2 PRO B 2 15.614 -14.905 -0.480 1.00 0.84 H new ATOM 0 HD3 PRO B 2 14.928 -14.971 -2.091 1.00 0.84 H new ATOM 1199 N SER B 3 17.224 -10.118 -2.424 1.00 0.51 N ATOM 1200 CA SER B 3 17.906 -8.945 -1.919 1.00 0.47 C ATOM 1201 C SER B 3 16.884 -7.862 -1.593 1.00 0.40 C ATOM 1202 O SER B 3 15.718 -7.985 -1.972 1.00 0.37 O ATOM 1203 CB SER B 3 18.913 -8.439 -2.951 1.00 0.46 C ATOM 1204 OG SER B 3 19.726 -9.502 -3.422 1.00 0.59 O ATOM 0 H SER B 3 17.187 -10.179 -3.441 1.00 0.51 H new ATOM 0 HA SER B 3 18.448 -9.205 -1.009 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.385 -7.981 -3.787 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.539 -7.665 -2.507 1.00 0.46 H new ATOM 0 HG SER B 3 20.363 -9.159 -4.083 1.00 0.59 H new ATOM 1210 N LYS B 4 17.298 -6.808 -0.908 1.00 0.41 N ATOM 1211 CA LYS B 4 16.375 -5.736 -0.551 1.00 0.41 C ATOM 1212 C LYS B 4 15.740 -5.102 -1.793 1.00 0.29 C ATOM 1213 O LYS B 4 14.628 -4.584 -1.726 1.00 0.27 O ATOM 1214 CB LYS B 4 17.066 -4.675 0.313 1.00 0.54 C ATOM 1215 CG LYS B 4 18.489 -4.359 -0.102 1.00 0.84 C ATOM 1216 CD LYS B 4 19.067 -3.197 0.688 1.00 0.95 C ATOM 1217 CE LYS B 4 19.024 -3.452 2.181 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.789 -4.668 2.569 1.00 1.79 N ATOM 0 H LYS B 4 18.257 -6.670 -0.589 1.00 0.41 H new ATOM 0 HA LYS B 4 15.573 -6.181 0.038 1.00 0.41 H new ATOM 0 HB2 LYS B 4 16.478 -3.758 0.279 1.00 0.54 H new ATOM 0 HB3 LYS B 4 17.069 -5.014 1.349 1.00 0.54 H new ATOM 0 HG2 LYS B 4 19.113 -5.241 0.042 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.512 -4.122 -1.166 1.00 0.84 H new ATOM 0 HD2 LYS B 4 20.098 -3.025 0.379 1.00 0.95 H new ATOM 0 HD3 LYS B 4 18.509 -2.289 0.459 1.00 0.95 H new ATOM 0 HE2 LYS B 4 19.429 -2.587 2.707 1.00 0.62 H new ATOM 0 HE3 LYS B 4 17.987 -3.561 2.499 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 19.933 -4.674 3.599 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 19.257 -5.517 2.289 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 20.712 -4.664 2.091 1.00 1.79 H new ATOM 1232 N LEU B 5 16.431 -5.167 -2.928 1.00 0.26 N ATOM 1233 CA LEU B 5 15.880 -4.643 -4.174 1.00 0.21 C ATOM 1234 C LEU B 5 14.776 -5.543 -4.708 1.00 0.18 C ATOM 1235 O LEU B 5 13.801 -5.057 -5.270 1.00 0.17 O ATOM 1236 CB LEU B 5 16.974 -4.431 -5.223 1.00 0.22 C ATOM 1237 CG LEU B 5 16.501 -3.951 -6.596 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.437 -2.879 -7.130 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.431 -5.110 -7.578 1.00 0.32 C ATOM 0 H LEU B 5 17.363 -5.573 -3.011 1.00 0.26 H new ATOM 0 HA LEU B 5 15.441 -3.670 -3.955 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.689 -3.706 -4.833 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.512 -5.370 -5.354 1.00 0.22 H new ATOM 0 HG LEU B 5 15.502 -3.530 -6.483 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.089 -2.546 -8.108 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.451 -2.033 -6.443 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.443 -3.288 -7.223 1.00 0.27 H new ATOM 0 HD21 LEU B 5 16.092 -4.745 -8.548 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.419 -5.558 -7.684 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.731 -5.859 -7.207 1.00 0.32 H new ATOM 1251 N ALA B 6 14.934 -6.851 -4.548 1.00 0.22 N ATOM 1252 CA ALA B 6 13.852 -7.779 -4.851 1.00 0.26 C ATOM 1253 C ALA B 6 12.592 -7.372 -4.090 1.00 0.24 C ATOM 1254 O ALA B 6 11.487 -7.426 -4.624 1.00 0.27 O ATOM 1255 CB ALA B 6 14.250 -9.209 -4.500 1.00 0.35 C ATOM 0 H ALA B 6 15.792 -7.290 -4.214 1.00 0.22 H new ATOM 0 HA ALA B 6 13.648 -7.740 -5.921 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.427 -9.884 -4.735 1.00 0.35 H new ATOM 0 HB2 ALA B 6 15.129 -9.494 -5.078 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.479 -9.272 -3.436 1.00 0.35 H new ATOM 1261 N LEU B 7 12.783 -6.928 -2.852 1.00 0.22 N ATOM 1262 CA LEU B 7 11.680 -6.469 -2.015 1.00 0.22 C ATOM 1263 C LEU B 7 11.141 -5.117 -2.489 1.00 0.18 C ATOM 1264 O LEU B 7 9.943 -4.970 -2.718 1.00 0.19 O ATOM 1265 CB LEU B 7 12.137 -6.343 -0.556 1.00 0.24 C ATOM 1266 CG LEU B 7 12.210 -7.642 0.262 1.00 0.29 C ATOM 1267 CD1 LEU B 7 13.100 -8.680 -0.405 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.720 -7.336 1.659 1.00 0.32 C ATOM 0 H LEU B 7 13.698 -6.876 -2.404 1.00 0.22 H new ATOM 0 HA LEU B 7 10.883 -7.208 -2.092 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.124 -5.881 -0.548 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.460 -5.658 -0.046 1.00 0.24 H new ATOM 0 HG LEU B 7 11.206 -8.061 0.320 1.00 0.29 H new ATOM 0 HD11 LEU B 7 13.125 -9.583 0.204 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.704 -8.919 -1.392 1.00 0.31 H new ATOM 0 HD13 LEU B 7 14.110 -8.282 -0.506 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.771 -8.258 2.238 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.714 -6.892 1.595 1.00 0.32 H new ATOM 0 HD23 LEU B 7 12.042 -6.637 2.149 1.00 0.32 H new ATOM 1280 N ILE B 8 12.029 -4.135 -2.639 1.00 0.16 N ATOM 1281 CA ILE B 8 11.620 -2.796 -3.065 1.00 0.15 C ATOM 1282 C ILE B 8 10.929 -2.829 -4.436 1.00 0.16 C ATOM 1283 O ILE B 8 10.003 -2.064 -4.684 1.00 0.18 O ATOM 1284 CB ILE B 8 12.799 -1.771 -3.031 1.00 0.16 C ATOM 1285 CG1 ILE B 8 13.968 -2.201 -3.906 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.274 -1.551 -1.603 1.00 0.16 C ATOM 1287 CD1 ILE B 8 13.902 -1.671 -5.321 1.00 0.23 C ATOM 0 H ILE B 8 13.030 -4.239 -2.473 1.00 0.16 H new ATOM 0 HA ILE B 8 10.888 -2.444 -2.338 1.00 0.15 H new ATOM 0 HB ILE B 8 12.415 -0.834 -3.435 1.00 0.16 H new ATOM 0 HG12 ILE B 8 14.897 -1.865 -3.445 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.004 -3.290 -3.938 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.095 -0.834 -1.599 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.452 -1.164 -1.002 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.616 -2.497 -1.184 1.00 0.16 H new ATOM 0 HD11 ILE B 8 14.769 -2.021 -5.881 1.00 0.23 H new ATOM 0 HD12 ILE B 8 12.991 -2.029 -5.801 1.00 0.23 H new ATOM 0 HD13 ILE B 8 13.898 -0.581 -5.302 1.00 0.23 H new ATOM 1299 N GLN B 9 11.363 -3.733 -5.312 1.00 0.16 N ATOM 1300 CA GLN B 9 10.755 -3.876 -6.634 1.00 0.20 C ATOM 1301 C GLN B 9 9.393 -4.568 -6.575 1.00 0.22 C ATOM 1302 O GLN B 9 8.503 -4.257 -7.365 1.00 0.25 O ATOM 1303 CB GLN B 9 11.677 -4.652 -7.577 1.00 0.22 C ATOM 1304 CG GLN B 9 12.705 -3.786 -8.283 1.00 0.27 C ATOM 1305 CD GLN B 9 12.063 -2.731 -9.161 1.00 0.99 C ATOM 1306 OE1 GLN B 9 10.953 -2.911 -9.664 1.00 1.94 O ATOM 1307 NE2 GLN B 9 12.764 -1.631 -9.372 1.00 1.38 N ATOM 0 H GLN B 9 12.133 -4.377 -5.131 1.00 0.16 H new ATOM 0 HA GLN B 9 10.606 -2.866 -7.016 1.00 0.20 H new ATOM 0 HB2 GLN B 9 12.196 -5.424 -7.008 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.070 -5.161 -8.325 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.339 -3.301 -7.541 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.352 -4.417 -8.892 1.00 0.27 H new ATOM 0 HE21 GLN B 9 13.680 -1.519 -8.937 1.00 1.38 H new ATOM 0 HE22 GLN B 9 12.389 -0.894 -9.969 1.00 1.38 H new ATOM 1316 N GLU B 10 9.239 -5.527 -5.671 1.00 0.23 N ATOM 1317 CA GLU B 10 7.986 -6.274 -5.563 1.00 0.27 C ATOM 1318 C GLU B 10 6.916 -5.495 -4.815 1.00 0.25 C ATOM 1319 O GLU B 10 5.737 -5.830 -4.910 1.00 0.28 O ATOM 1320 CB GLU B 10 8.199 -7.653 -4.927 1.00 0.31 C ATOM 1321 CG GLU B 10 8.547 -7.614 -3.451 1.00 0.31 C ATOM 1322 CD GLU B 10 8.676 -8.998 -2.853 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.654 -9.710 -2.776 1.00 1.09 O ATOM 1324 OE2 GLU B 10 9.793 -9.381 -2.451 1.00 1.23 O ATOM 0 H GLU B 10 9.959 -5.807 -5.005 1.00 0.23 H new ATOM 0 HA GLU B 10 7.629 -6.425 -6.582 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.293 -8.245 -5.059 1.00 0.31 H new ATOM 0 HB3 GLU B 10 8.997 -8.168 -5.463 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.484 -7.074 -3.315 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.778 -7.059 -2.914 1.00 0.31 H new ATOM 1331 N LEU B 11 7.330 -4.492 -4.043 1.00 0.22 N ATOM 1332 CA LEU B 11 6.388 -3.643 -3.307 1.00 0.21 C ATOM 1333 C LEU B 11 5.193 -3.229 -4.186 1.00 0.22 C ATOM 1334 O LEU B 11 4.049 -3.365 -3.757 1.00 0.21 O ATOM 1335 CB LEU B 11 7.091 -2.402 -2.737 1.00 0.21 C ATOM 1336 CG LEU B 11 8.198 -2.681 -1.719 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.767 -1.378 -1.181 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.678 -3.545 -0.581 1.00 0.19 C ATOM 0 H LEU B 11 8.311 -4.245 -3.909 1.00 0.22 H new ATOM 0 HA LEU B 11 6.004 -4.233 -2.475 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.517 -1.835 -3.565 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.341 -1.765 -2.267 1.00 0.21 H new ATOM 0 HG LEU B 11 8.996 -3.225 -2.223 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.553 -1.595 -0.458 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.181 -0.795 -2.003 1.00 0.21 H new ATOM 0 HD13 LEU B 11 7.975 -0.808 -0.695 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.482 -3.731 0.131 1.00 0.19 H new ATOM 0 HD22 LEU B 11 6.859 -3.030 -0.078 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.319 -4.494 -0.979 1.00 0.19 H new ATOM 1350 N PRO B 12 5.426 -2.714 -5.420 1.00 0.23 N ATOM 1351 CA PRO B 12 4.342 -2.414 -6.364 1.00 0.26 C ATOM 1352 C PRO B 12 3.359 -3.571 -6.571 1.00 0.27 C ATOM 1353 O PRO B 12 2.146 -3.360 -6.596 1.00 0.29 O ATOM 1354 CB PRO B 12 5.079 -2.104 -7.666 1.00 0.32 C ATOM 1355 CG PRO B 12 6.391 -1.563 -7.228 1.00 0.29 C ATOM 1356 CD PRO B 12 6.739 -2.302 -5.966 1.00 0.24 C ATOM 0 HA PRO B 12 3.719 -1.600 -5.993 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.202 -2.999 -8.276 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.532 -1.380 -8.270 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.152 -1.716 -7.993 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.331 -0.490 -7.048 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.375 -3.164 -6.170 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.280 -1.665 -5.267 1.00 0.24 H new ATOM 1364 N ASP B 13 3.875 -4.786 -6.720 1.00 0.27 N ATOM 1365 CA ASP B 13 3.025 -5.957 -6.948 1.00 0.29 C ATOM 1366 C ASP B 13 2.285 -6.329 -5.671 1.00 0.26 C ATOM 1367 O ASP B 13 1.085 -6.600 -5.683 1.00 0.25 O ATOM 1368 CB ASP B 13 3.861 -7.149 -7.420 1.00 0.35 C ATOM 1369 CG ASP B 13 3.010 -8.357 -7.774 1.00 1.17 C ATOM 1370 OD1 ASP B 13 2.753 -9.192 -6.886 1.00 1.70 O ATOM 1371 OD2 ASP B 13 2.603 -8.479 -8.952 1.00 2.01 O ATOM 0 H ASP B 13 4.874 -4.989 -6.688 1.00 0.27 H new ATOM 0 HA ASP B 13 2.302 -5.704 -7.723 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.447 -6.855 -8.291 1.00 0.35 H new ATOM 0 HB3 ASP B 13 4.568 -7.424 -6.638 1.00 0.35 H new ATOM 1376 N ARG B 14 3.020 -6.334 -4.573 1.00 0.27 N ATOM 1377 CA ARG B 14 2.456 -6.629 -3.263 1.00 0.27 C ATOM 1378 C ARG B 14 1.336 -5.661 -2.906 1.00 0.24 C ATOM 1379 O ARG B 14 0.321 -6.064 -2.356 1.00 0.25 O ATOM 1380 CB ARG B 14 3.545 -6.574 -2.194 1.00 0.31 C ATOM 1381 CG ARG B 14 3.945 -7.933 -1.656 1.00 0.42 C ATOM 1382 CD ARG B 14 5.039 -7.801 -0.614 1.00 0.37 C ATOM 1383 NE ARG B 14 5.176 -9.005 0.203 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.346 -9.557 0.515 1.00 0.60 C ATOM 1385 NH1 ARG B 14 7.462 -9.069 0.002 1.00 1.20 N ATOM 1386 NH2 ARG B 14 6.399 -10.608 1.319 1.00 1.04 N ATOM 0 H ARG B 14 4.020 -6.135 -4.561 1.00 0.27 H new ATOM 0 HA ARG B 14 2.036 -7.634 -3.303 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.426 -6.085 -2.611 1.00 0.31 H new ATOM 0 HB3 ARG B 14 3.198 -5.954 -1.367 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.077 -8.425 -1.217 1.00 0.42 H new ATOM 0 HG3 ARG B 14 4.290 -8.565 -2.474 1.00 0.42 H new ATOM 0 HD2 ARG B 14 5.987 -7.592 -1.110 1.00 0.37 H new ATOM 0 HD3 ARG B 14 4.822 -6.950 0.031 1.00 0.37 H new ATOM 0 HE ARG B 14 4.327 -9.447 0.554 1.00 0.86 H new ATOM 0 HH11 ARG B 14 7.426 -8.271 -0.632 1.00 1.20 H new ATOM 0 HH12 ARG B 14 8.360 -9.491 0.240 1.00 1.20 H new ATOM 0 HH21 ARG B 14 5.539 -11.000 1.704 1.00 1.04 H new ATOM 0 HH22 ARG B 14 7.299 -11.026 1.554 1.00 1.04 H new ATOM 1400 N ILE B 15 1.531 -4.391 -3.217 1.00 0.22 N ATOM 1401 CA ILE B 15 0.532 -3.363 -2.951 1.00 0.22 C ATOM 1402 C ILE B 15 -0.606 -3.450 -3.959 1.00 0.21 C ATOM 1403 O ILE B 15 -1.757 -3.141 -3.644 1.00 0.21 O ATOM 1404 CB ILE B 15 1.193 -1.962 -2.939 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.757 -1.181 -1.696 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.899 -1.176 -4.209 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.651 -0.622 -1.770 1.00 0.29 C ATOM 0 H ILE B 15 2.381 -4.042 -3.659 1.00 0.22 H new ATOM 0 HA ILE B 15 0.102 -3.531 -1.964 1.00 0.22 H new ATOM 0 HB ILE B 15 2.273 -2.108 -2.903 1.00 0.23 H new ATOM 0 HG12 ILE B 15 0.830 -1.835 -0.827 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.454 -0.358 -1.536 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.383 -0.201 -4.154 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.280 -1.722 -5.072 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.178 -1.041 -4.312 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -0.878 -0.084 -0.849 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -0.728 0.060 -2.617 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.361 -1.439 -1.897 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.285 -3.894 -5.165 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.302 -4.185 -6.153 1.00 0.24 C ATOM 1421 C GLN B 16 -2.215 -5.281 -5.619 1.00 0.23 C ATOM 1422 O GLN B 16 -3.433 -5.204 -5.749 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.659 -4.613 -7.472 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.658 -4.933 -8.567 1.00 0.92 C ATOM 1425 CD GLN B 16 -0.984 -5.258 -9.880 1.00 1.21 C ATOM 1426 OE1 GLN B 16 -0.677 -6.412 -10.171 1.00 1.80 O ATOM 1427 NE2 GLN B 16 -0.741 -4.237 -10.677 1.00 1.82 N ATOM 0 H GLN B 16 0.671 -4.059 -5.479 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.891 -3.288 -6.344 1.00 0.24 H new ATOM 0 HB2 GLN B 16 0.002 -3.818 -7.818 1.00 0.29 H new ATOM 0 HB3 GLN B 16 -0.037 -5.490 -7.294 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -2.274 -5.778 -8.258 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -2.327 -4.084 -8.705 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -1.013 -3.295 -10.396 1.00 1.82 H new ATOM 0 HE22 GLN B 16 -0.281 -4.389 -11.575 1.00 1.82 H new ATOM 1436 N THR B 17 -1.617 -6.279 -4.982 1.00 0.24 N ATOM 1437 CA THR B 17 -2.378 -7.360 -4.380 1.00 0.26 C ATOM 1438 C THR B 17 -3.052 -6.898 -3.100 1.00 0.24 C ATOM 1439 O THR B 17 -4.160 -7.321 -2.781 1.00 0.34 O ATOM 1440 CB THR B 17 -1.489 -8.577 -4.068 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.556 -8.782 -5.140 1.00 0.32 O ATOM 1442 CG2 THR B 17 -2.334 -9.830 -3.894 1.00 0.43 C ATOM 0 H THR B 17 -0.606 -6.360 -4.870 1.00 0.24 H new ATOM 0 HA THR B 17 -3.135 -7.656 -5.106 1.00 0.26 H new ATOM 0 HB THR B 17 -0.952 -8.382 -3.140 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.083 -8.039 -5.164 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.686 -10.678 -3.674 1.00 0.43 H new ATOM 0 HG22 THR B 17 -3.034 -9.685 -3.071 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.888 -10.025 -4.812 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.377 -6.014 -2.381 1.00 0.20 N ATOM 1451 CA ALA B 18 -2.896 -5.473 -1.140 1.00 0.21 C ATOM 1452 C ALA B 18 -4.265 -4.860 -1.355 1.00 0.19 C ATOM 1453 O ALA B 18 -5.156 -5.009 -0.525 1.00 0.25 O ATOM 1454 CB ALA B 18 -1.940 -4.435 -0.569 1.00 0.26 C ATOM 0 H ALA B 18 -1.459 -5.655 -2.642 1.00 0.20 H new ATOM 0 HA ALA B 18 -2.991 -6.291 -0.426 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.346 -4.040 0.362 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -0.973 -4.899 -0.375 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.816 -3.622 -1.284 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.433 -4.180 -2.477 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.666 -3.463 -2.715 1.00 0.24 C ATOM 1462 C VAL B 19 -6.477 -3.995 -3.907 1.00 0.25 C ATOM 1463 O VAL B 19 -7.529 -3.442 -4.232 1.00 0.32 O ATOM 1464 CB VAL B 19 -5.374 -1.962 -2.888 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -4.981 -1.631 -4.316 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -6.553 -1.134 -2.435 1.00 1.78 C ATOM 0 H VAL B 19 -3.742 -4.112 -3.224 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.291 -3.625 -1.837 1.00 0.24 H new ATOM 0 HB VAL B 19 -4.522 -1.712 -2.255 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -4.782 -0.563 -4.400 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -4.084 -2.189 -4.585 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -5.794 -1.903 -4.989 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -6.326 -0.076 -2.566 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -7.429 -1.393 -3.029 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -6.756 -1.334 -1.383 1.00 1.78 H new ATOM 1476 N GLU B 20 -6.026 -5.079 -4.541 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.775 -5.655 -5.668 1.00 0.31 C ATOM 1478 C GLU B 20 -8.157 -6.108 -5.209 1.00 0.31 C ATOM 1479 O GLU B 20 -9.116 -6.108 -5.980 1.00 0.33 O ATOM 1480 CB GLU B 20 -6.002 -6.811 -6.328 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.605 -7.942 -5.388 1.00 0.42 C ATOM 1482 CD GLU B 20 -6.595 -9.090 -5.366 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -6.514 -9.961 -6.255 1.00 1.66 O ATOM 1484 OE2 GLU B 20 -7.442 -9.141 -4.453 1.00 1.61 O ATOM 0 H GLU B 20 -5.164 -5.570 -4.303 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.899 -4.879 -6.423 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.612 -7.224 -7.131 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -5.100 -6.408 -6.788 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.627 -8.322 -5.684 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -5.500 -7.544 -4.379 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.237 -6.487 -3.945 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.504 -6.846 -3.330 1.00 0.33 C ATOM 1493 C ALA B 21 -10.515 -5.704 -3.452 1.00 0.27 C ATOM 1494 O ALA B 21 -11.617 -5.889 -3.963 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.290 -7.215 -1.873 1.00 0.38 C ATOM 0 H ALA B 21 -7.433 -6.554 -3.320 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.909 -7.710 -3.856 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.245 -7.482 -1.421 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.608 -8.063 -1.809 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.863 -6.365 -1.341 1.00 0.38 H new ATOM 1501 N ALA B 22 -10.120 -4.521 -3.009 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.997 -3.359 -3.043 1.00 0.27 C ATOM 1503 C ALA B 22 -11.133 -2.786 -4.452 1.00 0.27 C ATOM 1504 O ALA B 22 -12.164 -2.204 -4.800 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.511 -2.306 -2.070 1.00 0.33 C ATOM 0 H ALA B 22 -9.195 -4.339 -2.620 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.991 -3.684 -2.737 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -11.176 -1.443 -2.106 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.505 -2.718 -1.061 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.501 -1.998 -2.342 1.00 0.33 H new ATOM 1511 N MET B 23 -10.084 -2.907 -5.256 1.00 0.28 N ATOM 1512 CA MET B 23 -10.157 -2.472 -6.646 1.00 0.32 C ATOM 1513 C MET B 23 -11.164 -3.326 -7.400 1.00 0.33 C ATOM 1514 O MET B 23 -12.006 -2.810 -8.131 1.00 0.37 O ATOM 1515 CB MET B 23 -8.790 -2.535 -7.335 1.00 0.35 C ATOM 1516 CG MET B 23 -7.777 -1.534 -6.802 1.00 0.41 C ATOM 1517 SD MET B 23 -8.402 0.159 -6.773 1.00 0.76 S ATOM 1518 CE MET B 23 -8.661 0.380 -5.017 1.00 0.77 C ATOM 0 H MET B 23 -9.184 -3.297 -4.975 1.00 0.28 H new ATOM 0 HA MET B 23 -10.480 -1.431 -6.655 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.385 -3.540 -7.222 1.00 0.35 H new ATOM 0 HB3 MET B 23 -8.926 -2.364 -8.403 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.485 -1.824 -5.793 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.878 -1.573 -7.418 1.00 0.41 H new ATOM 0 HE1 MET B 23 -8.593 1.439 -4.770 1.00 0.77 H new ATOM 0 HE2 MET B 23 -9.648 0.006 -4.745 1.00 0.77 H new ATOM 0 HE3 MET B 23 -7.900 -0.171 -4.465 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.084 -4.633 -7.197 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.053 -5.541 -7.776 1.00 0.39 C ATOM 1530 C GLY B 24 -13.299 -5.685 -6.920 1.00 0.43 C ATOM 1531 O GLY B 24 -13.972 -6.715 -6.960 1.00 0.63 O ATOM 0 H GLY B 24 -10.360 -5.083 -6.637 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.336 -5.183 -8.766 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.593 -6.520 -7.911 1.00 0.39 H new ATOM 1535 N MET B 25 -13.606 -4.657 -6.138 1.00 0.42 N ATOM 1536 CA MET B 25 -14.830 -4.639 -5.352 1.00 0.46 C ATOM 1537 C MET B 25 -15.978 -4.145 -6.210 1.00 0.44 C ATOM 1538 O MET B 25 -15.892 -3.073 -6.808 1.00 0.48 O ATOM 1539 CB MET B 25 -14.700 -3.723 -4.130 1.00 0.59 C ATOM 1540 CG MET B 25 -15.968 -3.644 -3.286 1.00 0.60 C ATOM 1541 SD MET B 25 -16.044 -2.175 -2.263 1.00 0.99 S ATOM 1542 CE MET B 25 -14.722 -2.504 -1.110 1.00 0.45 C ATOM 0 H MET B 25 -13.024 -3.826 -6.032 1.00 0.42 H new ATOM 0 HA MET B 25 -15.018 -5.656 -5.007 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.880 -4.079 -3.506 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.434 -2.720 -4.465 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.837 -3.666 -3.944 1.00 0.60 H new ATOM 0 HG3 MET B 25 -16.028 -4.526 -2.649 1.00 0.60 H new ATOM 0 HE1 MET B 25 -14.594 -1.647 -0.449 1.00 0.45 H new ATOM 0 HE2 MET B 25 -14.967 -3.386 -0.518 1.00 0.45 H new ATOM 0 HE3 MET B 25 -13.797 -2.680 -1.658 1.00 0.45 H new ATOM 1552 N SER B 26 -17.036 -4.924 -6.291 1.00 0.51 N ATOM 1553 CA SER B 26 -18.243 -4.466 -6.947 1.00 0.60 C ATOM 1554 C SER B 26 -19.029 -3.562 -6.013 1.00 0.83 C ATOM 1555 O SER B 26 -19.939 -4.002 -5.319 1.00 1.79 O ATOM 1556 CB SER B 26 -19.112 -5.637 -7.355 1.00 0.63 C ATOM 1557 OG SER B 26 -18.465 -6.475 -8.297 1.00 1.43 O ATOM 0 H SER B 26 -17.086 -5.870 -5.914 1.00 0.51 H new ATOM 0 HA SER B 26 -17.954 -3.913 -7.841 1.00 0.60 H new ATOM 0 HB2 SER B 26 -19.374 -6.219 -6.472 1.00 0.63 H new ATOM 0 HB3 SER B 26 -20.044 -5.266 -7.780 1.00 0.63 H new ATOM 0 HG SER B 26 -19.057 -7.219 -8.534 1.00 1.43 H new ATOM 1563 N TYR B 27 -18.671 -2.299 -5.991 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.296 -1.343 -5.094 1.00 0.47 C ATOM 1565 C TYR B 27 -20.492 -0.675 -5.762 1.00 0.48 C ATOM 1566 O TYR B 27 -21.091 0.241 -5.206 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.266 -0.306 -4.661 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.594 0.378 -5.824 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -16.496 -0.183 -6.450 1.00 1.16 C ATOM 1570 CD2 TYR B 27 -18.081 1.571 -6.307 1.00 1.36 C ATOM 1571 CE1 TYR B 27 -15.900 0.436 -7.522 1.00 1.18 C ATOM 1572 CE2 TYR B 27 -17.497 2.207 -7.377 1.00 1.39 C ATOM 1573 CZ TYR B 27 -16.403 1.636 -7.989 1.00 0.54 C ATOM 1574 OH TYR B 27 -15.804 2.271 -9.055 1.00 0.68 O ATOM 0 H TYR B 27 -17.945 -1.903 -6.588 1.00 0.48 H new ATOM 0 HA TYR B 27 -19.663 -1.869 -4.212 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -18.753 0.444 -4.038 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.509 -0.790 -4.044 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -16.101 -1.122 -6.091 1.00 1.16 H new ATOM 0 HD2 TYR B 27 -18.943 2.019 -5.834 1.00 1.36 H new ATOM 0 HE1 TYR B 27 -15.041 -0.013 -7.998 1.00 1.18 H new ATOM 0 HE2 TYR B 27 -17.893 3.146 -7.735 1.00 1.39 H new ATOM 0 HH TYR B 27 -15.745 3.232 -8.872 1.00 0.68 H new ATOM 1584 N GLN B 28 -20.838 -1.143 -6.958 1.00 0.53 N ATOM 1585 CA GLN B 28 -22.033 -0.671 -7.650 1.00 0.62 C ATOM 1586 C GLN B 28 -23.288 -1.129 -6.911 1.00 0.70 C ATOM 1587 O GLN B 28 -24.379 -0.596 -7.116 1.00 0.86 O ATOM 1588 CB GLN B 28 -22.052 -1.171 -9.095 1.00 0.72 C ATOM 1589 CG GLN B 28 -21.969 -2.682 -9.211 1.00 1.34 C ATOM 1590 CD GLN B 28 -22.066 -3.170 -10.642 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -21.674 -2.475 -11.582 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -22.574 -4.375 -10.814 1.00 2.12 N ATOM 0 H GLN B 28 -20.307 -1.849 -7.468 1.00 0.53 H new ATOM 0 HA GLN B 28 -22.015 0.419 -7.665 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -22.966 -0.827 -9.579 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -21.217 -0.726 -9.637 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -21.028 -3.023 -8.779 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -22.770 -3.131 -8.624 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -22.886 -4.917 -10.008 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -22.654 -4.765 -11.753 1.00 2.12 H new ATOM 1601 N ASP B 29 -23.113 -2.124 -6.041 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.174 -2.572 -5.140 1.00 0.84 C ATOM 1603 C ASP B 29 -24.519 -1.467 -4.147 1.00 0.69 C ATOM 1604 O ASP B 29 -25.524 -1.538 -3.442 1.00 0.84 O ATOM 1605 CB ASP B 29 -23.738 -3.821 -4.366 1.00 1.06 C ATOM 1606 CG ASP B 29 -23.529 -5.031 -5.252 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -22.544 -5.051 -6.022 1.00 2.58 O ATOM 1608 OD2 ASP B 29 -24.331 -5.985 -5.163 1.00 2.56 O ATOM 0 H ASP B 29 -22.238 -2.639 -5.941 1.00 0.69 H new ATOM 0 HA ASP B 29 -25.049 -2.813 -5.743 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -22.812 -3.605 -3.833 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -24.491 -4.056 -3.614 1.00 1.06 H new ATOM 1613 N ALA B 30 -23.663 -0.458 -4.093 1.00 0.68 N ATOM 1614 CA ALA B 30 -23.861 0.682 -3.222 1.00 0.53 C ATOM 1615 C ALA B 30 -24.358 1.876 -4.030 1.00 0.54 C ATOM 1616 O ALA B 30 -24.107 1.955 -5.230 1.00 0.64 O ATOM 1617 CB ALA B 30 -22.556 1.014 -2.508 1.00 0.46 C ATOM 0 H ALA B 30 -22.812 -0.410 -4.654 1.00 0.68 H new ATOM 0 HA ALA B 30 -24.615 0.441 -2.473 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -22.708 1.872 -1.853 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.238 0.157 -1.915 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -21.788 1.251 -3.245 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.082 2.809 -3.386 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.599 4.011 -4.042 1.00 0.63 C ATOM 1625 C PRO B 31 -24.489 4.886 -4.602 1.00 0.53 C ATOM 1626 O PRO B 31 -23.339 4.770 -4.180 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.335 4.765 -2.931 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.552 3.770 -1.849 1.00 0.62 C ATOM 1629 CD PRO B 31 -25.453 2.758 -1.969 1.00 0.51 C ATOM 0 HA PRO B 31 -26.233 3.751 -4.890 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -25.746 5.610 -2.574 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -27.283 5.166 -3.291 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.531 4.251 -0.871 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.528 3.295 -1.950 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -24.609 3.006 -1.326 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -25.792 1.763 -1.680 1.00 0.51 H new ATOM 1637 N ASN B 32 -24.849 5.774 -5.520 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.888 6.589 -6.267 1.00 0.62 C ATOM 1639 C ASN B 32 -22.829 7.220 -5.374 1.00 0.59 C ATOM 1640 O ASN B 32 -21.649 7.102 -5.655 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.621 7.687 -7.032 1.00 0.73 C ATOM 1642 CG ASN B 32 -23.703 8.543 -7.889 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -23.119 9.517 -7.417 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -23.593 8.208 -9.160 1.00 2.04 N ATOM 0 H ASN B 32 -25.821 5.953 -5.772 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.377 5.919 -6.958 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -25.379 7.231 -7.669 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -25.144 8.327 -6.322 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -23.009 8.764 -9.785 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -24.092 7.393 -9.518 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.233 7.874 -4.296 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.264 8.590 -3.474 1.00 0.61 C ATOM 1653 C ASN B 33 -21.460 7.641 -2.584 1.00 0.53 C ATOM 1654 O ASN B 33 -20.343 7.965 -2.191 1.00 0.50 O ATOM 1655 CB ASN B 33 -22.928 9.677 -2.639 1.00 0.72 C ATOM 1656 CG ASN B 33 -23.721 10.658 -3.484 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -24.903 10.446 -3.760 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -23.078 11.740 -3.893 1.00 2.16 N ATOM 0 H ASN B 33 -24.199 7.926 -3.974 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.568 9.072 -4.160 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -23.591 9.215 -1.907 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -22.165 10.218 -2.080 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -23.562 12.437 -4.459 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -22.099 11.877 -3.642 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.012 6.471 -2.275 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.246 5.442 -1.571 1.00 0.50 C ATOM 1667 C VAL B 34 -20.248 4.857 -2.524 1.00 0.43 C ATOM 1668 O VAL B 34 -19.070 4.800 -2.222 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.122 4.323 -0.982 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -21.299 3.446 -0.053 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -23.320 4.906 -0.247 1.00 0.59 C ATOM 0 H VAL B 34 -22.973 6.212 -2.496 1.00 0.50 H new ATOM 0 HA VAL B 34 -20.753 5.920 -0.724 1.00 0.50 H new ATOM 0 HB VAL B 34 -22.495 3.709 -1.801 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -21.930 2.658 0.357 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -20.476 2.998 -0.610 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -20.900 4.052 0.761 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.925 4.097 0.161 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -22.973 5.545 0.565 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -23.921 5.495 -0.940 1.00 0.59 H new ATOM 1681 N ARG B 35 -20.712 4.480 -3.699 1.00 0.43 N ATOM 1682 CA ARG B 35 -19.815 4.004 -4.722 1.00 0.44 C ATOM 1683 C ARG B 35 -18.842 5.100 -5.126 1.00 0.39 C ATOM 1684 O ARG B 35 -17.767 4.808 -5.611 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.544 3.379 -5.919 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.581 4.221 -6.617 1.00 0.52 C ATOM 1687 CD ARG B 35 -22.500 3.301 -7.399 1.00 0.59 C ATOM 1688 NE ARG B 35 -23.544 4.000 -8.151 1.00 1.08 N ATOM 1689 CZ ARG B 35 -24.777 3.513 -8.332 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -25.139 2.375 -7.750 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -25.652 4.166 -9.085 1.00 2.15 N ATOM 0 H ARG B 35 -21.697 4.495 -3.964 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.234 3.186 -4.295 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -19.795 3.089 -6.655 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.027 2.463 -5.578 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -22.152 4.799 -5.890 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -21.101 4.936 -7.286 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -21.901 2.710 -8.092 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.971 2.602 -6.708 1.00 0.59 H new ATOM 0 HE ARG B 35 -23.319 4.907 -8.559 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -24.476 1.869 -7.163 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -26.080 2.007 -7.890 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -25.386 5.045 -9.530 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -26.590 3.790 -9.219 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.249 6.360 -4.997 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.320 7.481 -5.136 1.00 0.36 C ATOM 1707 C ARG B 36 -17.304 7.588 -3.996 1.00 0.34 C ATOM 1708 O ARG B 36 -16.178 8.003 -4.220 1.00 0.33 O ATOM 1709 CB ARG B 36 -19.045 8.802 -5.236 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.287 9.277 -6.652 1.00 0.57 C ATOM 1711 CD ARG B 36 -19.537 8.130 -7.613 1.00 0.75 C ATOM 1712 NE ARG B 36 -20.222 8.560 -8.831 1.00 1.40 N ATOM 1713 CZ ARG B 36 -20.021 8.009 -10.030 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -19.100 7.071 -10.185 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -20.713 8.424 -11.081 1.00 2.88 N ATOM 0 H ARG B 36 -20.212 6.631 -4.797 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.781 7.268 -6.059 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -20.004 8.715 -4.726 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.469 9.560 -4.705 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.144 9.951 -6.665 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -18.425 9.851 -6.992 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -18.586 7.669 -7.878 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -20.134 7.366 -7.115 1.00 0.75 H new ATOM 0 HE ARG B 36 -20.892 9.325 -8.760 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -18.542 6.768 -9.387 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -18.949 6.652 -11.102 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -21.403 9.168 -10.976 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -20.556 8.000 -11.995 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.695 7.285 -2.764 1.00 0.34 N ATOM 1730 CA ASP B 37 -16.716 7.248 -1.674 1.00 0.34 C ATOM 1731 C ASP B 37 -15.785 6.080 -1.903 1.00 0.28 C ATOM 1732 O ASP B 37 -14.598 6.115 -1.580 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.390 7.146 -0.304 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.738 8.506 0.262 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -16.815 9.326 0.457 1.00 1.39 O ATOM 1736 OD2 ASP B 37 -18.925 8.758 0.541 1.00 1.47 O ATOM 0 H ASP B 37 -18.654 7.066 -2.494 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.152 8.181 -1.674 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.297 6.547 -0.390 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -16.728 6.625 0.387 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.359 5.054 -2.488 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.625 3.937 -3.029 1.00 0.24 C ATOM 1743 C LEU B 38 -14.780 4.407 -4.223 1.00 0.23 C ATOM 1744 O LEU B 38 -13.701 3.874 -4.483 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.624 2.866 -3.469 1.00 0.33 C ATOM 1746 CG LEU B 38 -17.086 1.851 -2.414 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.936 0.989 -1.966 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -17.712 2.490 -1.208 1.00 0.49 C ATOM 0 H LEU B 38 -17.369 4.972 -2.603 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.956 3.522 -2.275 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -17.508 3.371 -3.860 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -16.181 2.312 -4.297 1.00 0.33 H new ATOM 0 HG LEU B 38 -17.850 1.245 -2.901 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.285 0.277 -1.218 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -15.532 0.448 -2.822 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.157 1.617 -1.533 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.016 1.716 -0.503 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -16.990 3.153 -0.731 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.586 3.066 -1.514 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.298 5.397 -4.957 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.557 6.030 -6.047 1.00 0.26 C ATOM 1762 C ASP B 39 -13.343 6.763 -5.511 1.00 0.24 C ATOM 1763 O ASP B 39 -12.262 6.708 -6.090 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.409 6.969 -6.891 1.00 0.30 C ATOM 1765 CG ASP B 39 -16.097 6.227 -8.024 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -15.605 5.148 -8.430 1.00 1.50 O ATOM 1767 OD2 ASP B 39 -17.116 6.722 -8.533 1.00 1.53 O ATOM 0 H ASP B 39 -16.233 5.777 -4.813 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.236 5.223 -6.706 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.158 7.448 -6.261 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -14.783 7.761 -7.301 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.537 7.448 -4.390 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.446 8.080 -3.660 1.00 0.24 C ATOM 1774 C ASN B 40 -11.455 7.022 -3.213 1.00 0.24 C ATOM 1775 O ASN B 40 -10.246 7.199 -3.342 1.00 0.26 O ATOM 1776 CB ASN B 40 -12.978 8.851 -2.443 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.605 10.185 -2.809 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -12.934 11.217 -2.813 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -14.893 10.179 -3.117 1.00 1.29 N ATOM 0 H ASN B 40 -14.454 7.580 -3.963 1.00 0.25 H new ATOM 0 HA ASN B 40 -11.948 8.789 -4.321 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.717 8.238 -1.927 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.160 9.021 -1.742 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.361 11.050 -3.369 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.417 9.304 -3.103 1.00 1.29 H new ATOM 1786 N LEU B 41 -11.977 5.911 -2.702 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.141 4.781 -2.328 1.00 0.28 C ATOM 1788 C LEU B 41 -10.325 4.320 -3.527 1.00 0.30 C ATOM 1789 O LEU B 41 -9.124 4.124 -3.429 1.00 0.37 O ATOM 1790 CB LEU B 41 -11.988 3.619 -1.807 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.184 2.399 -1.350 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.286 2.762 -0.176 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.114 1.253 -0.984 1.00 1.04 C ATOM 0 H LEU B 41 -12.974 5.772 -2.539 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.471 5.104 -1.531 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.592 3.973 -0.972 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.679 3.310 -2.592 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.551 2.073 -2.176 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -9.722 1.883 0.136 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -9.595 3.549 -0.477 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -10.898 3.114 0.655 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.524 0.395 -0.662 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.774 1.564 -0.174 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.711 0.977 -1.853 1.00 1.04 H new ATOM 1805 N HIS B 42 -10.983 4.172 -4.668 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.308 3.731 -5.880 1.00 0.32 C ATOM 1807 C HIS B 42 -9.251 4.717 -6.321 1.00 0.38 C ATOM 1808 O HIS B 42 -8.107 4.341 -6.524 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.303 3.491 -7.014 1.00 0.32 C ATOM 1810 CG HIS B 42 -11.840 2.102 -6.997 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.349 1.457 -8.103 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -11.907 1.221 -5.983 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -12.707 0.231 -7.765 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.450 0.063 -6.478 1.00 0.39 N ATOM 0 H HIS B 42 -11.981 4.350 -4.780 1.00 0.27 H new ATOM 0 HA HIS B 42 -9.817 2.788 -5.642 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.127 4.200 -6.930 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -10.816 3.680 -7.971 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.591 1.394 -4.965 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -13.136 -0.508 -8.426 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.627 -0.787 -5.943 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.629 5.974 -6.461 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.699 6.986 -6.924 1.00 0.37 C ATOM 1825 C ALA B 43 -7.518 7.124 -5.971 1.00 0.38 C ATOM 1826 O ALA B 43 -6.371 7.054 -6.392 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.410 8.322 -7.083 1.00 0.42 C ATOM 0 H ALA B 43 -10.569 6.317 -6.262 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.314 6.673 -7.895 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.700 9.073 -7.431 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.217 8.221 -7.809 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.823 8.631 -6.123 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.805 7.281 -4.685 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.761 7.517 -3.695 1.00 0.40 C ATOM 1835 C CYS B 44 -5.950 6.266 -3.347 1.00 0.35 C ATOM 1836 O CYS B 44 -4.765 6.374 -3.052 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.343 8.118 -2.427 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.286 9.634 -2.695 1.00 1.64 S ATOM 0 H CYS B 44 -8.750 7.249 -4.303 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.072 8.223 -4.158 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -7.989 7.380 -1.951 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.531 8.326 -1.731 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.479 9.334 -3.117 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.571 5.090 -3.345 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.843 3.872 -2.981 1.00 0.29 C ATOM 1846 C LEU B 45 -5.048 3.356 -4.168 1.00 0.28 C ATOM 1847 O LEU B 45 -3.962 2.804 -4.011 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.780 2.782 -2.464 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.379 2.180 -1.118 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -4.979 1.592 -1.187 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -6.461 3.231 -0.026 1.00 1.77 C ATOM 0 H LEU B 45 -7.553 4.952 -3.585 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.158 4.131 -2.174 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.784 3.197 -2.376 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -6.829 1.983 -3.204 1.00 0.27 H new ATOM 0 HG LEU B 45 -7.075 1.375 -0.880 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -4.714 1.169 -0.218 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -4.950 0.809 -1.945 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -4.268 2.376 -1.448 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -6.173 2.788 0.927 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -5.787 4.055 -0.262 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.482 3.606 0.042 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.589 3.536 -5.356 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.833 3.264 -6.560 1.00 0.33 C ATOM 1865 C ASN B 46 -3.701 4.297 -6.661 1.00 0.36 C ATOM 1866 O ASN B 46 -2.566 3.960 -6.994 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.772 3.255 -7.780 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.052 3.403 -9.113 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -3.926 2.937 -9.282 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.698 4.051 -10.070 1.00 0.98 N ATOM 0 H ASN B 46 -6.541 3.867 -5.513 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.376 2.275 -6.529 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.337 2.323 -7.785 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.494 4.065 -7.676 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -5.263 4.177 -10.984 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -6.631 4.424 -9.893 1.00 0.98 H new ATOM 1877 N LYS B 47 -4.018 5.552 -6.330 1.00 0.35 N ATOM 1878 CA LYS B 47 -3.008 6.586 -6.087 1.00 0.37 C ATOM 1879 C LYS B 47 -1.982 6.138 -5.045 1.00 0.36 C ATOM 1880 O LYS B 47 -0.821 6.505 -5.125 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.678 7.866 -5.586 1.00 0.44 C ATOM 1882 CG LYS B 47 -2.728 9.024 -5.336 1.00 0.92 C ATOM 1883 CD LYS B 47 -3.379 10.112 -4.497 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.664 9.634 -3.083 1.00 1.08 C ATOM 1885 NZ LYS B 47 -4.400 10.657 -2.290 1.00 1.51 N ATOM 0 H LYS B 47 -4.978 5.879 -6.223 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.496 6.767 -7.032 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -4.425 8.178 -6.315 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.209 7.643 -4.661 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -1.834 8.659 -4.830 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -2.406 9.443 -6.289 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -2.726 10.984 -4.462 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -4.309 10.428 -4.969 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -4.248 8.715 -3.121 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -2.725 9.394 -2.584 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -4.575 10.293 -1.332 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -3.832 11.526 -2.232 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -5.308 10.867 -2.752 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.419 5.370 -4.054 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.519 4.887 -3.014 1.00 0.41 C ATOM 1901 C ALA B 48 -0.532 3.886 -3.588 1.00 0.38 C ATOM 1902 O ALA B 48 0.619 3.816 -3.164 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.296 4.277 -1.858 1.00 0.49 C ATOM 0 H ALA B 48 -3.388 5.069 -3.949 1.00 0.40 H new ATOM 0 HA ALA B 48 -0.960 5.739 -2.627 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.600 3.925 -1.097 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.956 5.029 -1.426 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.890 3.439 -2.221 1.00 0.49 H new ATOM 1909 N LYS B 49 -0.979 3.123 -4.573 1.00 0.39 N ATOM 1910 CA LYS B 49 -0.096 2.216 -5.279 1.00 0.40 C ATOM 1911 C LYS B 49 0.838 3.031 -6.154 1.00 0.44 C ATOM 1912 O LYS B 49 1.989 2.673 -6.375 1.00 0.53 O ATOM 1913 CB LYS B 49 -0.894 1.252 -6.153 1.00 0.38 C ATOM 1914 CG LYS B 49 -1.949 0.454 -5.407 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.528 -0.627 -6.300 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.435 -0.040 -7.373 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.791 -1.037 -8.413 1.00 0.93 N ATOM 0 H LYS B 49 -1.945 3.115 -4.899 1.00 0.39 H new ATOM 0 HA LYS B 49 0.470 1.633 -4.553 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.379 1.819 -6.948 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.203 0.558 -6.632 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.510 0.002 -4.517 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.744 1.118 -5.068 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.718 -1.183 -6.772 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -3.092 -1.337 -5.695 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.345 0.339 -6.909 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -2.938 0.810 -7.841 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -4.409 -0.593 -9.122 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -2.925 -1.381 -8.875 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -4.289 -1.836 -7.972 1.00 0.93 H new ATOM 1931 N LEU B 50 0.304 4.137 -6.642 1.00 0.40 N ATOM 1932 CA LEU B 50 1.044 5.073 -7.467 1.00 0.45 C ATOM 1933 C LEU B 50 2.163 5.744 -6.673 1.00 0.39 C ATOM 1934 O LEU B 50 3.302 5.806 -7.126 1.00 0.41 O ATOM 1935 CB LEU B 50 0.070 6.109 -8.036 1.00 0.54 C ATOM 1936 CG LEU B 50 -0.857 5.580 -9.131 1.00 1.03 C ATOM 1937 CD1 LEU B 50 -1.659 6.714 -9.739 1.00 2.10 C ATOM 1938 CD2 LEU B 50 -0.060 4.847 -10.202 1.00 0.71 C ATOM 0 H LEU B 50 -0.664 4.412 -6.475 1.00 0.40 H new ATOM 0 HA LEU B 50 1.517 4.534 -8.288 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.539 6.501 -7.221 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.643 6.945 -8.437 1.00 0.54 H new ATOM 0 HG LEU B 50 -1.552 4.871 -8.682 1.00 1.03 H new ATOM 0 HD11 LEU B 50 -2.314 6.321 -10.517 1.00 2.10 H new ATOM 0 HD12 LEU B 50 -2.261 7.190 -8.965 1.00 2.10 H new ATOM 0 HD13 LEU B 50 -0.980 7.448 -10.173 1.00 2.10 H new ATOM 0 HD21 LEU B 50 -0.738 4.478 -10.972 1.00 0.71 H new ATOM 0 HD22 LEU B 50 0.661 5.530 -10.651 1.00 0.71 H new ATOM 0 HD23 LEU B 50 0.468 4.007 -9.751 1.00 0.71 H new ATOM 1950 N THR B 51 1.837 6.219 -5.477 1.00 0.36 N ATOM 1951 CA THR B 51 2.803 6.884 -4.616 1.00 0.36 C ATOM 1952 C THR B 51 3.890 5.919 -4.166 1.00 0.33 C ATOM 1953 O THR B 51 5.062 6.272 -4.106 1.00 0.35 O ATOM 1954 CB THR B 51 2.113 7.490 -3.375 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.277 6.511 -2.743 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.273 8.692 -3.762 1.00 0.42 C ATOM 0 H THR B 51 0.900 6.154 -5.080 1.00 0.36 H new ATOM 0 HA THR B 51 3.258 7.685 -5.198 1.00 0.36 H new ATOM 0 HB THR B 51 2.889 7.808 -2.679 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.339 5.664 -3.231 1.00 0.46 H new ATOM 0 HG21 THR B 51 0.796 9.104 -2.873 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.911 9.451 -4.216 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.508 8.387 -4.476 1.00 0.42 H new ATOM 1964 N VAL B 52 3.486 4.700 -3.852 1.00 0.30 N ATOM 1965 CA VAL B 52 4.418 3.681 -3.401 1.00 0.28 C ATOM 1966 C VAL B 52 5.270 3.170 -4.552 1.00 0.28 C ATOM 1967 O VAL B 52 6.484 3.021 -4.419 1.00 0.29 O ATOM 1968 CB VAL B 52 3.666 2.520 -2.717 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.586 1.351 -2.439 1.00 0.31 C ATOM 1970 CG2 VAL B 52 3.020 2.997 -1.426 1.00 0.33 C ATOM 0 H VAL B 52 2.515 4.391 -3.901 1.00 0.30 H new ATOM 0 HA VAL B 52 5.085 4.135 -2.668 1.00 0.28 H new ATOM 0 HB VAL B 52 2.889 2.179 -3.401 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.023 0.552 -1.957 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.004 0.986 -3.377 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.394 1.672 -1.782 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.493 2.167 -0.955 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.790 3.369 -0.750 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.313 3.797 -1.647 1.00 0.33 H new ATOM 1980 N GLY B 53 4.624 2.914 -5.677 1.00 0.35 N ATOM 1981 CA GLY B 53 5.341 2.540 -6.873 1.00 0.43 C ATOM 1982 C GLY B 53 6.405 3.560 -7.208 1.00 0.39 C ATOM 1983 O GLY B 53 7.538 3.213 -7.537 1.00 0.39 O ATOM 0 H GLY B 53 3.610 2.959 -5.782 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.801 1.562 -6.735 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.644 2.450 -7.706 1.00 0.43 H new ATOM 1987 N ARG B 54 6.034 4.829 -7.110 1.00 0.39 N ATOM 1988 CA ARG B 54 6.954 5.916 -7.393 1.00 0.38 C ATOM 1989 C ARG B 54 7.915 6.191 -6.248 1.00 0.30 C ATOM 1990 O ARG B 54 8.923 6.863 -6.437 1.00 0.29 O ATOM 1991 CB ARG B 54 6.200 7.167 -7.797 1.00 0.50 C ATOM 1992 CG ARG B 54 5.405 6.949 -9.062 1.00 1.18 C ATOM 1993 CD ARG B 54 4.694 8.205 -9.498 1.00 1.37 C ATOM 1994 NE ARG B 54 5.436 8.942 -10.517 1.00 1.71 N ATOM 1995 CZ ARG B 54 4.943 9.992 -11.169 1.00 2.21 C ATOM 1996 NH1 ARG B 54 3.751 10.474 -10.842 1.00 2.36 N ATOM 1997 NH2 ARG B 54 5.641 10.565 -12.138 1.00 2.84 N ATOM 0 H ARG B 54 5.099 5.129 -6.836 1.00 0.39 H new ATOM 0 HA ARG B 54 7.570 5.598 -8.234 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.529 7.465 -6.991 1.00 0.50 H new ATOM 0 HB3 ARG B 54 6.904 7.986 -7.945 1.00 0.50 H new ATOM 0 HG2 ARG B 54 6.071 6.613 -9.857 1.00 1.18 H new ATOM 0 HG3 ARG B 54 4.676 6.155 -8.901 1.00 1.18 H new ATOM 0 HD2 ARG B 54 3.709 7.945 -9.887 1.00 1.37 H new ATOM 0 HD3 ARG B 54 4.535 8.848 -8.632 1.00 1.37 H new ATOM 0 HE ARG B 54 6.383 8.636 -10.741 1.00 1.71 H new ATOM 0 HH11 ARG B 54 3.214 10.040 -10.092 1.00 2.36 H new ATOM 0 HH12 ARG B 54 3.372 11.279 -11.341 1.00 2.36 H new ATOM 0 HH21 ARG B 54 6.561 10.202 -12.387 1.00 2.84 H new ATOM 0 HH22 ARG B 54 5.259 11.370 -12.635 1.00 2.84 H new ATOM 2011 N MET B 55 7.611 5.686 -5.064 1.00 0.30 N ATOM 2012 CA MET B 55 8.546 5.794 -3.955 1.00 0.29 C ATOM 2013 C MET B 55 9.719 4.861 -4.213 1.00 0.25 C ATOM 2014 O MET B 55 10.861 5.152 -3.854 1.00 0.26 O ATOM 2015 CB MET B 55 7.880 5.463 -2.620 1.00 0.31 C ATOM 2016 CG MET B 55 8.760 5.785 -1.426 1.00 0.33 C ATOM 2017 SD MET B 55 9.296 7.507 -1.417 1.00 0.76 S ATOM 2018 CE MET B 55 10.309 7.537 0.056 1.00 0.39 C ATOM 0 H MET B 55 6.739 5.204 -4.847 1.00 0.30 H new ATOM 0 HA MET B 55 8.896 6.824 -3.888 1.00 0.29 H new ATOM 0 HB2 MET B 55 6.946 6.019 -2.538 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.623 4.404 -2.601 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.214 5.572 -0.507 1.00 0.33 H new ATOM 0 HG3 MET B 55 9.634 5.134 -1.436 1.00 0.33 H new ATOM 0 HE1 MET B 55 10.319 8.545 0.470 1.00 0.39 H new ATOM 0 HE2 MET B 55 9.900 6.846 0.793 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.327 7.238 -0.196 1.00 0.39 H new ATOM 2028 N VAL B 56 9.420 3.741 -4.859 1.00 0.25 N ATOM 2029 CA VAL B 56 10.448 2.845 -5.355 1.00 0.25 C ATOM 2030 C VAL B 56 11.253 3.560 -6.432 1.00 0.23 C ATOM 2031 O VAL B 56 12.480 3.472 -6.474 1.00 0.23 O ATOM 2032 CB VAL B 56 9.836 1.554 -5.939 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.926 0.600 -6.400 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.928 0.887 -4.918 1.00 0.34 C ATOM 0 H VAL B 56 8.467 3.433 -5.051 1.00 0.25 H new ATOM 0 HA VAL B 56 11.093 2.565 -4.522 1.00 0.25 H new ATOM 0 HB VAL B 56 9.235 1.822 -6.808 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.471 -0.303 -6.808 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.529 1.082 -7.169 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.560 0.336 -5.554 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.505 -0.022 -5.346 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.505 0.634 -4.028 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.123 1.569 -4.647 1.00 0.34 H new ATOM 2044 N THR B 57 10.543 4.299 -7.282 1.00 0.24 N ATOM 2045 CA THR B 57 11.170 5.110 -8.316 1.00 0.27 C ATOM 2046 C THR B 57 12.085 6.166 -7.697 1.00 0.26 C ATOM 2047 O THR B 57 13.152 6.456 -8.230 1.00 0.30 O ATOM 2048 CB THR B 57 10.105 5.798 -9.194 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.128 4.834 -9.607 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.739 6.431 -10.422 1.00 0.43 C ATOM 0 H THR B 57 9.524 4.351 -7.272 1.00 0.24 H new ATOM 0 HA THR B 57 11.768 4.446 -8.941 1.00 0.27 H new ATOM 0 HB THR B 57 9.629 6.582 -8.606 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.378 5.293 -10.040 1.00 0.37 H new ATOM 0 HG21 THR B 57 9.967 6.909 -11.024 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.470 7.177 -10.110 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.235 5.661 -11.013 1.00 0.43 H new ATOM 2058 N SER B 58 11.664 6.709 -6.555 1.00 0.31 N ATOM 2059 CA SER B 58 12.437 7.712 -5.830 1.00 0.37 C ATOM 2060 C SER B 58 13.786 7.147 -5.382 1.00 0.30 C ATOM 2061 O SER B 58 14.812 7.819 -5.471 1.00 0.38 O ATOM 2062 CB SER B 58 11.643 8.211 -4.617 1.00 0.49 C ATOM 2063 OG SER B 58 12.314 9.276 -3.963 1.00 1.23 O ATOM 0 H SER B 58 10.780 6.466 -6.109 1.00 0.31 H new ATOM 0 HA SER B 58 12.627 8.549 -6.502 1.00 0.37 H new ATOM 0 HB2 SER B 58 10.656 8.543 -4.938 1.00 0.49 H new ATOM 0 HB3 SER B 58 11.491 7.390 -3.917 1.00 0.49 H new ATOM 0 HG SER B 58 11.783 9.574 -3.195 1.00 1.23 H new ATOM 2069 N LEU B 59 13.781 5.916 -4.895 1.00 0.24 N ATOM 2070 CA LEU B 59 15.020 5.243 -4.515 1.00 0.25 C ATOM 2071 C LEU B 59 15.817 4.853 -5.759 1.00 0.21 C ATOM 2072 O LEU B 59 17.046 4.815 -5.737 1.00 0.27 O ATOM 2073 CB LEU B 59 14.734 3.999 -3.657 1.00 0.37 C ATOM 2074 CG LEU B 59 14.611 4.236 -2.141 1.00 0.37 C ATOM 2075 CD1 LEU B 59 13.499 5.223 -1.821 1.00 1.38 C ATOM 2076 CD2 LEU B 59 14.363 2.919 -1.432 1.00 1.37 C ATOM 0 H LEU B 59 12.937 5.361 -4.753 1.00 0.24 H new ATOM 0 HA LEU B 59 15.611 5.939 -3.919 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.808 3.545 -4.009 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.530 3.274 -3.828 1.00 0.37 H new ATOM 0 HG LEU B 59 15.548 4.666 -1.788 1.00 0.37 H new ATOM 0 HD11 LEU B 59 13.440 5.367 -0.742 1.00 1.38 H new ATOM 0 HD12 LEU B 59 13.710 6.177 -2.304 1.00 1.38 H new ATOM 0 HD13 LEU B 59 12.550 4.833 -2.188 1.00 1.38 H new ATOM 0 HD21 LEU B 59 14.277 3.094 -0.360 1.00 1.37 H new ATOM 0 HD22 LEU B 59 13.439 2.475 -1.803 1.00 1.37 H new ATOM 0 HD23 LEU B 59 15.194 2.241 -1.624 1.00 1.37 H new ATOM 2088 N LEU B 60 15.101 4.582 -6.846 1.00 0.19 N ATOM 2089 CA LEU B 60 15.714 4.092 -8.079 1.00 0.24 C ATOM 2090 C LEU B 60 16.408 5.198 -8.877 1.00 0.27 C ATOM 2091 O LEU B 60 17.102 4.918 -9.855 1.00 0.32 O ATOM 2092 CB LEU B 60 14.663 3.409 -8.962 1.00 0.26 C ATOM 2093 CG LEU B 60 14.801 1.889 -9.101 1.00 0.46 C ATOM 2094 CD1 LEU B 60 16.087 1.536 -9.835 1.00 1.29 C ATOM 2095 CD2 LEU B 60 14.769 1.218 -7.736 1.00 0.57 C ATOM 0 H LEU B 60 14.089 4.694 -6.899 1.00 0.19 H new ATOM 0 HA LEU B 60 16.478 3.374 -7.781 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.675 3.631 -8.558 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.707 3.852 -9.957 1.00 0.26 H new ATOM 0 HG LEU B 60 13.956 1.522 -9.683 1.00 0.46 H new ATOM 0 HD11 LEU B 60 16.169 0.453 -9.925 1.00 1.29 H new ATOM 0 HD12 LEU B 60 16.073 1.983 -10.829 1.00 1.29 H new ATOM 0 HD13 LEU B 60 16.941 1.919 -9.277 1.00 1.29 H new ATOM 0 HD21 LEU B 60 14.868 0.139 -7.858 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.593 1.592 -7.128 1.00 0.57 H new ATOM 0 HD23 LEU B 60 13.823 1.441 -7.243 1.00 0.57 H new ATOM 2107 N GLU B 61 16.247 6.446 -8.457 1.00 0.27 N ATOM 2108 CA GLU B 61 16.859 7.560 -9.174 1.00 0.33 C ATOM 2109 C GLU B 61 18.105 8.063 -8.448 1.00 0.36 C ATOM 2110 O GLU B 61 18.465 9.236 -8.542 1.00 0.43 O ATOM 2111 CB GLU B 61 15.856 8.700 -9.406 1.00 0.37 C ATOM 2112 CG GLU B 61 14.853 8.892 -8.282 1.00 1.02 C ATOM 2113 CD GLU B 61 13.887 10.032 -8.538 1.00 2.03 C ATOM 2114 OE1 GLU B 61 13.007 9.892 -9.414 1.00 2.59 O ATOM 2115 OE2 GLU B 61 13.991 11.073 -7.853 1.00 2.79 O ATOM 0 H GLU B 61 15.705 6.712 -7.635 1.00 0.27 H new ATOM 0 HA GLU B 61 17.167 7.190 -10.152 1.00 0.33 H new ATOM 0 HB2 GLU B 61 16.407 9.630 -9.547 1.00 0.37 H new ATOM 0 HB3 GLU B 61 15.314 8.508 -10.332 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.289 7.969 -8.144 1.00 1.02 H new ATOM 0 HG3 GLU B 61 15.389 9.080 -7.352 1.00 1.02 H new ATOM 2122 N LYS B 62 18.759 7.157 -7.728 1.00 0.36 N ATOM 2123 CA LYS B 62 20.034 7.450 -7.073 1.00 0.40 C ATOM 2124 C LYS B 62 20.849 6.175 -6.882 1.00 0.35 C ATOM 2125 O LYS B 62 20.367 5.183 -6.338 1.00 0.30 O ATOM 2126 CB LYS B 62 19.827 8.191 -5.749 1.00 0.48 C ATOM 2127 CG LYS B 62 18.717 7.636 -4.878 1.00 0.51 C ATOM 2128 CD LYS B 62 18.213 8.707 -3.929 1.00 0.76 C ATOM 2129 CE LYS B 62 16.884 8.330 -3.297 1.00 0.83 C ATOM 2130 NZ LYS B 62 16.324 9.443 -2.487 1.00 0.91 N ATOM 0 H LYS B 62 18.425 6.204 -7.581 1.00 0.36 H new ATOM 0 HA LYS B 62 20.602 8.114 -7.725 1.00 0.40 H new ATOM 0 HB2 LYS B 62 20.759 8.166 -5.185 1.00 0.48 H new ATOM 0 HB3 LYS B 62 19.612 9.238 -5.964 1.00 0.48 H new ATOM 0 HG2 LYS B 62 17.898 7.278 -5.503 1.00 0.51 H new ATOM 0 HG3 LYS B 62 19.083 6.780 -4.311 1.00 0.51 H new ATOM 0 HD2 LYS B 62 18.952 8.874 -3.146 1.00 0.76 H new ATOM 0 HD3 LYS B 62 18.103 9.647 -4.469 1.00 0.76 H new ATOM 0 HE2 LYS B 62 16.175 8.056 -4.078 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.018 7.452 -2.665 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 15.443 9.131 -2.031 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 17.011 9.722 -1.758 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 16.125 10.256 -3.105 1.00 0.91 H new ATOM 2144 N PRO B 63 22.120 6.218 -7.308 1.00 0.46 N ATOM 2145 CA PRO B 63 22.932 5.021 -7.542 1.00 0.48 C ATOM 2146 C PRO B 63 23.319 4.274 -6.270 1.00 0.41 C ATOM 2147 O PRO B 63 23.212 3.052 -6.220 1.00 0.40 O ATOM 2148 CB PRO B 63 24.173 5.557 -8.256 1.00 0.59 C ATOM 2149 CG PRO B 63 24.270 6.989 -7.860 1.00 0.94 C ATOM 2150 CD PRO B 63 22.869 7.459 -7.566 1.00 0.65 C ATOM 0 HA PRO B 63 22.374 4.282 -8.117 1.00 0.48 H new ATOM 0 HB2 PRO B 63 25.066 5.006 -7.959 1.00 0.59 H new ATOM 0 HB3 PRO B 63 24.079 5.454 -9.337 1.00 0.59 H new ATOM 0 HG2 PRO B 63 24.908 7.105 -6.984 1.00 0.94 H new ATOM 0 HG3 PRO B 63 24.716 7.581 -8.659 1.00 0.94 H new ATOM 0 HD2 PRO B 63 22.845 8.126 -6.704 1.00 0.65 H new ATOM 0 HD3 PRO B 63 22.449 8.010 -8.407 1.00 0.65 H new ATOM 2158 N SER B 64 23.762 5.003 -5.251 1.00 0.40 N ATOM 2159 CA SER B 64 24.175 4.383 -3.998 1.00 0.37 C ATOM 2160 C SER B 64 23.008 3.621 -3.373 1.00 0.34 C ATOM 2161 O SER B 64 23.173 2.521 -2.842 1.00 0.38 O ATOM 2162 CB SER B 64 24.682 5.456 -3.036 1.00 0.39 C ATOM 2163 OG SER B 64 25.616 6.310 -3.680 1.00 1.25 O ATOM 0 H SER B 64 23.844 6.020 -5.268 1.00 0.40 H new ATOM 0 HA SER B 64 24.980 3.676 -4.200 1.00 0.37 H new ATOM 0 HB2 SER B 64 23.842 6.043 -2.664 1.00 0.39 H new ATOM 0 HB3 SER B 64 25.149 4.984 -2.172 1.00 0.39 H new ATOM 0 HG SER B 64 25.927 6.991 -3.047 1.00 1.25 H new ATOM 2169 N VAL B 65 21.828 4.221 -3.458 1.00 0.30 N ATOM 2170 CA VAL B 65 20.612 3.606 -2.948 1.00 0.30 C ATOM 2171 C VAL B 65 20.265 2.346 -3.728 1.00 0.29 C ATOM 2172 O VAL B 65 20.065 1.282 -3.140 1.00 0.30 O ATOM 2173 CB VAL B 65 19.434 4.595 -3.007 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.139 3.932 -2.573 1.00 0.38 C ATOM 2175 CG2 VAL B 65 19.725 5.807 -2.141 1.00 0.33 C ATOM 0 H VAL B 65 21.688 5.140 -3.879 1.00 0.30 H new ATOM 0 HA VAL B 65 20.794 3.332 -1.909 1.00 0.30 H new ATOM 0 HB VAL B 65 19.314 4.919 -4.041 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.325 4.655 -2.625 1.00 0.38 H new ATOM 0 HG12 VAL B 65 17.921 3.092 -3.233 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.240 3.572 -1.549 1.00 0.38 H new ATOM 0 HG21 VAL B 65 18.885 6.500 -2.190 1.00 0.33 H new ATOM 0 HG22 VAL B 65 19.873 5.490 -1.109 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.626 6.303 -2.501 1.00 0.33 H new ATOM 2185 N VAL B 66 20.220 2.465 -5.051 1.00 0.29 N ATOM 2186 CA VAL B 66 19.894 1.334 -5.911 1.00 0.30 C ATOM 2187 C VAL B 66 20.861 0.185 -5.686 1.00 0.30 C ATOM 2188 O VAL B 66 20.444 -0.938 -5.418 1.00 0.30 O ATOM 2189 CB VAL B 66 19.926 1.718 -7.407 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.619 0.514 -8.287 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.945 2.835 -7.690 1.00 0.34 C ATOM 0 H VAL B 66 20.405 3.335 -5.551 1.00 0.29 H new ATOM 0 HA VAL B 66 18.882 1.027 -5.647 1.00 0.30 H new ATOM 0 HB VAL B 66 20.932 2.066 -7.642 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.648 0.812 -9.335 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.361 -0.264 -8.111 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.627 0.131 -8.046 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.982 3.092 -8.749 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.938 2.509 -7.430 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.208 3.710 -7.095 1.00 0.34 H new ATOM 2201 N ALA B 67 22.150 0.492 -5.759 1.00 0.33 N ATOM 2202 CA ALA B 67 23.189 -0.524 -5.700 1.00 0.35 C ATOM 2203 C ALA B 67 23.131 -1.320 -4.409 1.00 0.32 C ATOM 2204 O ALA B 67 23.354 -2.523 -4.418 1.00 0.34 O ATOM 2205 CB ALA B 67 24.559 0.096 -5.868 1.00 0.42 C ATOM 0 H ALA B 67 22.501 1.444 -5.860 1.00 0.33 H new ATOM 0 HA ALA B 67 23.009 -1.213 -6.525 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.319 -0.683 -5.820 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.615 0.599 -6.833 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.731 0.820 -5.071 1.00 0.42 H new ATOM 2211 N TYR B 68 22.835 -0.657 -3.299 1.00 0.30 N ATOM 2212 CA TYR B 68 22.738 -1.350 -2.025 1.00 0.30 C ATOM 2213 C TYR B 68 21.515 -2.252 -1.949 1.00 0.30 C ATOM 2214 O TYR B 68 21.567 -3.314 -1.325 1.00 0.33 O ATOM 2215 CB TYR B 68 22.846 -0.392 -0.846 1.00 0.32 C ATOM 2216 CG TYR B 68 24.278 -0.308 -0.371 1.00 0.51 C ATOM 2217 CD1 TYR B 68 25.182 0.563 -0.961 1.00 1.31 C ATOM 2218 CD2 TYR B 68 24.737 -1.145 0.640 1.00 1.06 C ATOM 2219 CE1 TYR B 68 26.505 0.595 -0.564 1.00 1.54 C ATOM 2220 CE2 TYR B 68 26.056 -1.112 1.050 1.00 1.28 C ATOM 2221 CZ TYR B 68 26.936 -0.242 0.445 1.00 1.19 C ATOM 2222 OH TYR B 68 28.253 -0.213 0.842 1.00 1.55 O ATOM 0 H TYR B 68 22.660 0.347 -3.256 1.00 0.30 H new ATOM 0 HA TYR B 68 23.600 -2.014 -1.957 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.494 0.597 -1.138 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.205 -0.731 -0.033 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.846 1.227 -1.744 1.00 1.31 H new ATOM 0 HD2 TYR B 68 24.051 -1.832 1.113 1.00 1.06 H new ATOM 0 HE1 TYR B 68 27.198 1.272 -1.041 1.00 1.54 H new ATOM 0 HE2 TYR B 68 26.395 -1.765 1.841 1.00 1.28 H new ATOM 0 HH TYR B 68 28.392 -0.862 1.563 1.00 1.55 H new ATOM 2232 N LEU B 69 20.424 -1.839 -2.579 1.00 0.28 N ATOM 2233 CA LEU B 69 19.240 -2.684 -2.678 1.00 0.29 C ATOM 2234 C LEU B 69 19.566 -3.995 -3.395 1.00 0.31 C ATOM 2235 O LEU B 69 19.193 -5.077 -2.939 1.00 0.34 O ATOM 2236 CB LEU B 69 18.122 -1.957 -3.423 1.00 0.28 C ATOM 2237 CG LEU B 69 17.627 -0.686 -2.751 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.717 0.096 -3.683 1.00 0.30 C ATOM 2239 CD2 LEU B 69 16.910 -1.004 -1.449 1.00 0.33 C ATOM 0 H LEU B 69 20.333 -0.928 -3.028 1.00 0.28 H new ATOM 0 HA LEU B 69 18.906 -2.910 -1.665 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.474 -1.708 -4.424 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.280 -2.639 -3.542 1.00 0.28 H new ATOM 0 HG LEU B 69 18.495 -0.068 -2.519 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.374 1.001 -3.182 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.266 0.366 -4.585 1.00 0.30 H new ATOM 0 HD13 LEU B 69 15.857 -0.518 -3.951 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.566 -0.078 -0.988 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.055 -1.648 -1.653 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.595 -1.514 -0.772 1.00 0.33 H new ATOM 2251 N GLU B 70 20.258 -3.896 -4.518 1.00 0.32 N ATOM 2252 CA GLU B 70 20.584 -5.074 -5.316 1.00 0.39 C ATOM 2253 C GLU B 70 21.813 -5.785 -4.792 1.00 0.44 C ATOM 2254 O GLU B 70 21.959 -6.998 -4.944 1.00 0.53 O ATOM 2255 CB GLU B 70 20.793 -4.698 -6.776 1.00 0.44 C ATOM 2256 CG GLU B 70 21.162 -3.244 -6.990 1.00 0.45 C ATOM 2257 CD GLU B 70 21.251 -2.870 -8.456 1.00 0.56 C ATOM 2258 OE1 GLU B 70 20.452 -3.402 -9.255 1.00 1.15 O ATOM 2259 OE2 GLU B 70 22.116 -2.048 -8.821 1.00 1.32 O ATOM 0 H GLU B 70 20.606 -3.016 -4.900 1.00 0.32 H new ATOM 0 HA GLU B 70 19.737 -5.756 -5.239 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.579 -5.327 -7.194 1.00 0.44 H new ATOM 0 HB3 GLU B 70 19.881 -4.916 -7.331 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.421 -2.610 -6.502 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.119 -3.042 -6.510 1.00 0.45 H new ATOM 2266 N GLY B 71 22.687 -5.020 -4.186 1.00 0.44 N ATOM 2267 CA GLY B 71 23.898 -5.563 -3.639 1.00 0.53 C ATOM 2268 C GLY B 71 25.037 -5.527 -4.632 1.00 0.65 C ATOM 2269 O GLY B 71 25.986 -6.305 -4.531 1.00 0.79 O ATOM 0 H GLY B 71 22.578 -4.014 -4.060 1.00 0.44 H new ATOM 0 HA2 GLY B 71 24.177 -5.001 -2.748 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.724 -6.592 -3.325 1.00 0.53 H new ATOM 2273 N LYS B 72 24.940 -4.612 -5.585 1.00 0.69 N ATOM 2274 CA LYS B 72 25.912 -4.503 -6.663 1.00 0.93 C ATOM 2275 C LYS B 72 27.164 -3.775 -6.195 1.00 1.13 C ATOM 2276 O LYS B 72 27.110 -2.540 -6.005 1.00 1.49 O ATOM 2277 CB LYS B 72 25.291 -3.778 -7.859 1.00 1.21 C ATOM 2278 CG LYS B 72 24.123 -4.522 -8.480 1.00 1.13 C ATOM 2279 CD LYS B 72 24.546 -5.842 -9.104 1.00 1.47 C ATOM 2280 CE LYS B 72 23.344 -6.604 -9.640 1.00 1.99 C ATOM 2281 NZ LYS B 72 23.738 -7.828 -10.384 1.00 2.58 N ATOM 2282 OXT LYS B 72 28.203 -4.443 -6.022 1.00 1.80 O ATOM 0 H LYS B 72 24.187 -3.926 -5.633 1.00 0.69 H new ATOM 0 HA LYS B 72 26.200 -5.509 -6.969 1.00 0.93 H new ATOM 0 HB2 LYS B 72 24.955 -2.791 -7.541 1.00 1.21 H new ATOM 0 HB3 LYS B 72 26.058 -3.624 -8.618 1.00 1.21 H new ATOM 0 HG2 LYS B 72 23.367 -4.709 -7.717 1.00 1.13 H new ATOM 0 HG3 LYS B 72 23.659 -3.895 -9.241 1.00 1.13 H new ATOM 0 HD2 LYS B 72 25.253 -5.656 -9.913 1.00 1.47 H new ATOM 0 HD3 LYS B 72 25.064 -6.449 -8.362 1.00 1.47 H new ATOM 0 HE2 LYS B 72 22.692 -6.880 -8.811 1.00 1.99 H new ATOM 0 HE3 LYS B 72 22.767 -5.953 -10.296 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 22.886 -8.313 -10.730 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 24.338 -7.565 -11.191 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 24.266 -8.463 -9.752 1.00 2.58 H new