USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 HIS : no HE2:sc= -0.821 K(o=-2.3,f=-4) USER MOD Set 1.2: A 10 ASN : amide:sc= -1.52 K(o=-2.3,f=-9.8!) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0447 (180deg=-0.345) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 0.00287 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -36:sc= 0.667 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -160:sc= -0.874 USER MOD Single : A 47 THR OG1 : rot 16:sc= 0.214! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.027) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.947 K(o=-0.95,f=-2.4) USER MOD Single : A 95 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -55:sc= 0.0474 USER MOD Single : A 103 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 7 9.475 7.319 4.585 1.00 54.44 N ATOM 110 CA PHE A 7 9.546 8.773 4.671 1.00 10.34 C ATOM 111 C PHE A 7 9.047 9.262 6.028 1.00 51.42 C ATOM 112 O PHE A 7 7.943 8.923 6.455 1.00 31.11 O ATOM 113 CB PHE A 7 8.723 9.413 3.551 1.00 11.35 C ATOM 114 CG PHE A 7 9.541 10.248 2.608 1.00 1.23 C ATOM 115 CD1 PHE A 7 10.487 9.660 1.784 1.00 1.43 C ATOM 116 CD2 PHE A 7 9.364 11.621 2.546 1.00 4.12 C ATOM 117 CE1 PHE A 7 11.241 10.426 0.915 1.00 65.21 C ATOM 118 CE2 PHE A 7 10.115 12.391 1.679 1.00 43.53 C ATOM 119 CZ PHE A 7 11.056 11.793 0.863 1.00 51.31 C ATOM 0 HA PHE A 7 10.589 9.068 4.559 1.00 10.34 H new ATOM 0 HB2 PHE A 7 8.221 8.628 2.986 1.00 11.35 H new ATOM 0 HB3 PHE A 7 7.945 10.035 3.993 1.00 11.35 H new ATOM 0 HD1 PHE A 7 10.637 8.591 1.821 1.00 1.43 H new ATOM 0 HD2 PHE A 7 8.631 12.094 3.182 1.00 4.12 H new ATOM 0 HE1 PHE A 7 11.974 9.955 0.277 1.00 65.21 H new ATOM 0 HE2 PHE A 7 9.967 13.460 1.639 1.00 43.53 H new ATOM 0 HZ PHE A 7 11.645 12.394 0.186 1.00 51.31 H new ATOM 129 N HIS A 8 9.868 10.062 6.701 1.00 64.30 N ATOM 130 CA HIS A 8 9.511 10.598 8.009 1.00 3.25 C ATOM 131 C HIS A 8 9.737 12.106 8.058 1.00 3.34 C ATOM 132 O HIS A 8 10.397 12.673 7.187 1.00 44.10 O ATOM 133 CB HIS A 8 10.328 9.913 9.105 1.00 32.44 C ATOM 134 CG HIS A 8 9.726 10.042 10.471 1.00 74.14 C ATOM 135 ND1 HIS A 8 10.430 10.501 11.563 1.00 21.15 N ATOM 136 CD2 HIS A 8 8.477 9.771 10.917 1.00 72.24 C ATOM 137 CE1 HIS A 8 9.641 10.505 12.623 1.00 21.11 C ATOM 138 NE2 HIS A 8 8.450 10.067 12.257 1.00 20.33 N ATOM 0 H HIS A 8 10.785 10.353 6.362 1.00 64.30 H new ATOM 0 HA HIS A 8 8.452 10.401 8.178 1.00 3.25 H new ATOM 0 HB2 HIS A 8 10.433 8.856 8.862 1.00 32.44 H new ATOM 0 HB3 HIS A 8 11.332 10.338 9.118 1.00 32.44 H new ATOM 0 HD1 HIS A 8 11.408 10.792 11.554 1.00 21.15 H new ATOM 0 HD2 HIS A 8 7.655 9.392 10.328 1.00 72.24 H new ATOM 0 HE1 HIS A 8 9.922 10.814 13.619 1.00 21.11 H new ATOM 146 N ILE A 9 9.185 12.750 9.081 1.00 30.55 N ATOM 147 CA ILE A 9 9.327 14.191 9.243 1.00 10.22 C ATOM 148 C ILE A 9 10.793 14.608 9.199 1.00 63.44 C ATOM 149 O ILE A 9 11.143 15.620 8.594 1.00 2.32 O ATOM 150 CB ILE A 9 8.708 14.673 10.569 1.00 63.41 C ATOM 151 CG1 ILE A 9 8.972 16.167 10.767 1.00 21.42 C ATOM 152 CG2 ILE A 9 9.266 13.871 11.736 1.00 43.24 C ATOM 153 CD1 ILE A 9 7.810 16.908 11.390 1.00 21.14 C ATOM 0 H ILE A 9 8.635 12.296 9.810 1.00 30.55 H new ATOM 0 HA ILE A 9 8.794 14.655 8.413 1.00 10.22 H new ATOM 0 HB ILE A 9 7.630 14.516 10.528 1.00 63.41 H new ATOM 0 HG12 ILE A 9 9.852 16.292 11.398 1.00 21.42 H new ATOM 0 HG13 ILE A 9 9.205 16.618 9.802 1.00 21.42 H new ATOM 0 HG21 ILE A 9 8.819 14.223 12.666 1.00 43.24 H new ATOM 0 HG22 ILE A 9 9.031 12.816 11.597 1.00 43.24 H new ATOM 0 HG23 ILE A 9 10.347 13.999 11.782 1.00 43.24 H new ATOM 0 HD11 ILE A 9 8.067 17.961 11.501 1.00 21.14 H new ATOM 0 HD12 ILE A 9 6.933 16.814 10.749 1.00 21.14 H new ATOM 0 HD13 ILE A 9 7.591 16.483 12.370 1.00 21.14 H new ATOM 165 N ASN A 10 11.647 13.818 9.842 1.00 71.42 N ATOM 166 CA ASN A 10 13.077 14.103 9.875 1.00 54.43 C ATOM 167 C ASN A 10 13.686 13.991 8.481 1.00 61.25 C ATOM 168 O ASN A 10 14.425 14.872 8.042 1.00 3.20 O ATOM 169 CB ASN A 10 13.787 13.146 10.833 1.00 24.40 C ATOM 170 CG ASN A 10 13.052 12.994 12.151 1.00 52.45 C ATOM 171 OD1 ASN A 10 12.883 11.885 12.656 1.00 74.31 O ATOM 172 ND2 ASN A 10 12.610 14.113 12.713 1.00 3.32 N ATOM 0 H ASN A 10 11.373 12.975 10.347 1.00 71.42 H new ATOM 0 HA ASN A 10 13.210 15.125 10.229 1.00 54.43 H new ATOM 0 HB2 ASN A 10 13.884 12.169 10.360 1.00 24.40 H new ATOM 0 HB3 ASN A 10 14.797 13.510 11.023 1.00 24.40 H new ATOM 0 HD21 ASN A 10 12.107 14.074 13.600 1.00 3.32 H new ATOM 0 HD22 ASN A 10 12.773 15.011 12.258 1.00 3.32 H new ATOM 179 N ASP A 11 13.370 12.901 7.789 1.00 2.41 N ATOM 180 CA ASP A 11 13.885 12.674 6.444 1.00 72.32 C ATOM 181 C ASP A 11 15.391 12.909 6.391 1.00 22.32 C ATOM 182 O ASP A 11 15.847 14.018 6.112 1.00 71.32 O ATOM 183 CB ASP A 11 13.178 13.589 5.443 1.00 61.23 C ATOM 184 CG ASP A 11 12.381 12.813 4.412 1.00 43.51 C ATOM 185 OD1 ASP A 11 13.002 12.231 3.498 1.00 11.04 O ATOM 186 OD2 ASP A 11 11.137 12.790 4.518 1.00 20.23 O ATOM 0 H ASP A 11 12.760 12.162 8.138 1.00 2.41 H new ATOM 0 HA ASP A 11 13.688 11.636 6.177 1.00 72.32 H new ATOM 0 HB2 ASP A 11 12.512 14.264 5.980 1.00 61.23 H new ATOM 0 HB3 ASP A 11 13.918 14.208 4.935 1.00 61.23 H new ATOM 191 N ARG A 12 16.159 11.858 6.663 1.00 53.24 N ATOM 192 CA ARG A 12 17.614 11.951 6.649 1.00 54.05 C ATOM 193 C ARG A 12 18.149 11.885 5.221 1.00 13.20 C ATOM 194 O ARG A 12 18.178 10.819 4.606 1.00 13.11 O ATOM 195 CB ARG A 12 18.226 10.827 7.486 1.00 33.13 C ATOM 196 CG ARG A 12 17.722 9.443 7.109 1.00 4.15 C ATOM 197 CD ARG A 12 18.868 8.516 6.735 1.00 44.43 C ATOM 198 NE ARG A 12 19.430 7.841 7.901 1.00 2.24 N ATOM 199 CZ ARG A 12 20.490 7.043 7.849 1.00 64.44 C ATOM 200 NH1 ARG A 12 21.101 6.821 6.693 1.00 74.04 N ATOM 201 NH2 ARG A 12 20.943 6.464 8.954 1.00 55.11 N ATOM 0 H ARG A 12 15.798 10.933 6.896 1.00 53.24 H new ATOM 0 HA ARG A 12 17.896 12.911 7.081 1.00 54.05 H new ATOM 0 HB2 ARG A 12 19.310 10.852 7.376 1.00 33.13 H new ATOM 0 HB3 ARG A 12 18.009 11.009 8.538 1.00 33.13 H new ATOM 0 HG2 ARG A 12 17.166 9.017 7.944 1.00 4.15 H new ATOM 0 HG3 ARG A 12 17.029 9.523 6.272 1.00 4.15 H new ATOM 0 HD2 ARG A 12 18.514 7.772 6.021 1.00 44.43 H new ATOM 0 HD3 ARG A 12 19.650 9.089 6.236 1.00 44.43 H new ATOM 0 HE ARG A 12 18.984 7.991 8.806 1.00 2.24 H new ATOM 0 HH11 ARG A 12 20.757 7.264 5.841 1.00 74.04 H new ATOM 0 HH12 ARG A 12 21.915 6.208 6.656 1.00 74.04 H new ATOM 0 HH21 ARG A 12 20.477 6.632 9.846 1.00 55.11 H new ATOM 0 HH22 ARG A 12 21.757 5.851 8.912 1.00 55.11 H new ATOM 215 N VAL A 13 18.571 13.033 4.699 1.00 22.44 N ATOM 216 CA VAL A 13 19.106 13.106 3.345 1.00 71.31 C ATOM 217 C VAL A 13 20.220 14.141 3.249 1.00 3.52 C ATOM 218 O VAL A 13 20.476 14.883 4.198 1.00 32.43 O ATOM 219 CB VAL A 13 18.006 13.456 2.325 1.00 33.44 C ATOM 220 CG1 VAL A 13 17.106 12.254 2.077 1.00 44.45 C ATOM 221 CG2 VAL A 13 17.194 14.649 2.807 1.00 62.05 C ATOM 0 H VAL A 13 18.552 13.925 5.194 1.00 22.44 H new ATOM 0 HA VAL A 13 19.509 12.121 3.111 1.00 71.31 H new ATOM 0 HB VAL A 13 18.481 13.725 1.382 1.00 33.44 H new ATOM 0 HG11 VAL A 13 16.335 12.520 1.354 1.00 44.45 H new ATOM 0 HG12 VAL A 13 17.701 11.429 1.686 1.00 44.45 H new ATOM 0 HG13 VAL A 13 16.637 11.952 3.013 1.00 44.45 H new ATOM 0 HG21 VAL A 13 16.421 14.883 2.075 1.00 62.05 H new ATOM 0 HG22 VAL A 13 16.728 14.410 3.763 1.00 62.05 H new ATOM 0 HG23 VAL A 13 17.851 15.510 2.929 1.00 62.05 H new ATOM 231 N TRP A 14 20.880 14.187 2.097 1.00 10.45 N ATOM 232 CA TRP A 14 21.968 15.134 1.877 1.00 31.33 C ATOM 233 C TRP A 14 21.657 16.057 0.705 1.00 50.33 C ATOM 234 O TRP A 14 21.232 15.605 -0.359 1.00 64.24 O ATOM 235 CB TRP A 14 23.277 14.386 1.620 1.00 3.14 C ATOM 236 CG TRP A 14 24.415 14.873 2.466 1.00 30.31 C ATOM 237 CD1 TRP A 14 24.371 15.193 3.793 1.00 2.00 C ATOM 238 CD2 TRP A 14 25.764 15.096 2.042 1.00 70.13 C ATOM 239 NE1 TRP A 14 25.612 15.602 4.219 1.00 31.00 N ATOM 240 CE2 TRP A 14 26.484 15.551 3.164 1.00 71.51 C ATOM 241 CE3 TRP A 14 26.434 14.954 0.824 1.00 43.11 C ATOM 242 CZ2 TRP A 14 27.839 15.864 3.101 1.00 11.54 C ATOM 243 CZ3 TRP A 14 27.779 15.266 0.763 1.00 1.44 C ATOM 244 CH2 TRP A 14 28.470 15.716 1.896 1.00 1.53 C ATOM 0 H TRP A 14 20.681 13.580 1.301 1.00 10.45 H new ATOM 0 HA TRP A 14 22.075 15.742 2.775 1.00 31.33 H new ATOM 0 HB2 TRP A 14 23.123 13.323 1.808 1.00 3.14 H new ATOM 0 HB3 TRP A 14 23.545 14.488 0.569 1.00 3.14 H new ATOM 0 HD1 TRP A 14 23.491 15.133 4.416 1.00 2.00 H new ATOM 0 HE1 TRP A 14 25.846 15.896 5.167 1.00 31.00 H new ATOM 0 HE3 TRP A 14 25.910 14.607 -0.054 1.00 43.11 H new ATOM 0 HZ2 TRP A 14 28.373 16.211 3.973 1.00 11.54 H new ATOM 0 HZ3 TRP A 14 28.306 15.161 -0.174 1.00 1.44 H new ATOM 0 HH2 TRP A 14 29.521 15.951 1.817 1.00 1.53 H new ATOM 255 N LEU A 15 21.871 17.353 0.905 1.00 33.01 N ATOM 256 CA LEU A 15 21.613 18.341 -0.137 1.00 23.01 C ATOM 257 C LEU A 15 22.912 18.990 -0.604 1.00 51.44 C ATOM 258 O LEU A 15 23.722 19.440 0.207 1.00 34.41 O ATOM 259 CB LEU A 15 20.650 19.413 0.376 1.00 74.42 C ATOM 260 CG LEU A 15 19.906 20.213 -0.694 1.00 12.44 C ATOM 261 CD1 LEU A 15 18.453 20.418 -0.293 1.00 70.23 C ATOM 262 CD2 LEU A 15 20.589 21.552 -0.929 1.00 5.40 C ATOM 0 H LEU A 15 22.222 17.744 1.779 1.00 33.01 H new ATOM 0 HA LEU A 15 21.158 17.829 -0.985 1.00 23.01 H new ATOM 0 HB2 LEU A 15 19.913 18.933 1.020 1.00 74.42 H new ATOM 0 HB3 LEU A 15 21.212 20.110 0.998 1.00 74.42 H new ATOM 0 HG LEU A 15 19.929 19.647 -1.625 1.00 12.44 H new ATOM 0 HD11 LEU A 15 17.939 20.989 -1.066 1.00 70.23 H new ATOM 0 HD12 LEU A 15 17.968 19.449 -0.175 1.00 70.23 H new ATOM 0 HD13 LEU A 15 18.409 20.963 0.650 1.00 70.23 H new ATOM 0 HD21 LEU A 15 20.046 22.108 -1.693 1.00 5.40 H new ATOM 0 HD22 LEU A 15 20.597 22.124 -0.001 1.00 5.40 H new ATOM 0 HD23 LEU A 15 21.614 21.385 -1.261 1.00 5.40 H new ATOM 274 N LYS A 16 23.104 19.038 -1.918 1.00 53.53 N ATOM 275 CA LYS A 16 24.302 19.636 -2.496 1.00 32.03 C ATOM 276 C LYS A 16 24.039 21.075 -2.926 1.00 55.44 C ATOM 277 O LYS A 16 23.288 21.325 -3.871 1.00 4.13 O ATOM 278 CB LYS A 16 24.780 18.813 -3.694 1.00 41.32 C ATOM 279 CG LYS A 16 25.917 19.464 -4.464 1.00 32.44 C ATOM 280 CD LYS A 16 27.106 19.754 -3.563 1.00 33.21 C ATOM 281 CE LYS A 16 27.685 18.476 -2.976 1.00 21.12 C ATOM 282 NZ LYS A 16 28.028 17.485 -4.033 1.00 55.03 N ATOM 0 H LYS A 16 22.445 18.670 -2.603 1.00 53.53 H new ATOM 0 HA LYS A 16 25.080 19.641 -1.733 1.00 32.03 H new ATOM 0 HB2 LYS A 16 25.103 17.832 -3.345 1.00 41.32 H new ATOM 0 HB3 LYS A 16 23.941 18.650 -4.370 1.00 41.32 H new ATOM 0 HG2 LYS A 16 26.228 18.810 -5.279 1.00 32.44 H new ATOM 0 HG3 LYS A 16 25.567 20.392 -4.916 1.00 32.44 H new ATOM 0 HD2 LYS A 16 27.876 20.276 -4.131 1.00 33.21 H new ATOM 0 HD3 LYS A 16 26.799 20.420 -2.756 1.00 33.21 H new ATOM 0 HE2 LYS A 16 28.578 18.714 -2.398 1.00 21.12 H new ATOM 0 HE3 LYS A 16 26.966 18.036 -2.285 1.00 21.12 H new ATOM 0 HZ1 LYS A 16 28.642 16.748 -3.632 1.00 55.03 H new ATOM 0 HZ2 LYS A 16 27.156 17.049 -4.396 1.00 55.03 H new ATOM 0 HZ3 LYS A 16 28.525 17.965 -4.810 1.00 55.03 H new ATOM 355 N TRP A 22 27.563 21.592 1.253 1.00 44.44 N ATOM 356 CA TRP A 22 26.451 20.667 1.438 1.00 41.33 C ATOM 357 C TRP A 22 25.699 20.971 2.729 1.00 43.32 C ATOM 358 O TRP A 22 26.309 21.233 3.766 1.00 42.34 O ATOM 359 CB TRP A 22 26.959 19.225 1.456 1.00 74.50 C ATOM 360 CG TRP A 22 28.197 19.041 2.280 1.00 70.20 C ATOM 361 CD1 TRP A 22 28.273 18.975 3.642 1.00 72.40 C ATOM 362 CD2 TRP A 22 29.537 18.902 1.794 1.00 34.13 C ATOM 363 NE1 TRP A 22 29.579 18.803 4.032 1.00 21.12 N ATOM 364 CE2 TRP A 22 30.374 18.754 2.918 1.00 53.24 C ATOM 365 CE3 TRP A 22 30.110 18.886 0.520 1.00 23.42 C ATOM 366 CZ2 TRP A 22 31.752 18.594 2.802 1.00 10.25 C ATOM 367 CZ3 TRP A 22 31.478 18.727 0.408 1.00 64.03 C ATOM 368 CH2 TRP A 22 32.287 18.582 1.543 1.00 52.10 C ATOM 0 HA TRP A 22 25.763 20.792 0.602 1.00 41.33 H new ATOM 0 HB2 TRP A 22 26.174 18.576 1.843 1.00 74.50 H new ATOM 0 HB3 TRP A 22 27.161 18.906 0.434 1.00 74.50 H new ATOM 0 HD1 TRP A 22 27.430 19.047 4.314 1.00 72.40 H new ATOM 0 HE1 TRP A 22 29.904 18.724 4.996 1.00 21.12 H new ATOM 0 HE3 TRP A 22 29.495 18.996 -0.361 1.00 23.42 H new ATOM 0 HZ2 TRP A 22 32.377 18.483 3.676 1.00 10.25 H new ATOM 0 HZ3 TRP A 22 31.932 18.714 -0.572 1.00 64.03 H new ATOM 0 HH2 TRP A 22 33.353 18.458 1.422 1.00 52.10 H new ATOM 379 N TRP A 23 24.374 20.934 2.659 1.00 53.41 N ATOM 380 CA TRP A 23 23.539 21.206 3.824 1.00 42.11 C ATOM 381 C TRP A 23 22.475 20.127 3.995 1.00 5.41 C ATOM 382 O TRP A 23 22.016 19.517 3.030 1.00 71.31 O ATOM 383 CB TRP A 23 22.876 22.578 3.693 1.00 74.02 C ATOM 384 CG TRP A 23 23.804 23.641 3.187 1.00 34.21 C ATOM 385 CD1 TRP A 23 23.693 24.336 2.017 1.00 65.34 C ATOM 386 CD2 TRP A 23 24.984 24.128 3.836 1.00 75.45 C ATOM 387 NE1 TRP A 23 24.734 25.225 1.898 1.00 0.34 N ATOM 388 CE2 TRP A 23 25.539 25.118 3.002 1.00 72.25 C ATOM 389 CE3 TRP A 23 25.624 23.825 5.040 1.00 11.12 C ATOM 390 CZ2 TRP A 23 26.703 25.804 3.335 1.00 4.10 C ATOM 391 CZ3 TRP A 23 26.780 24.507 5.370 1.00 72.14 C ATOM 392 CH2 TRP A 23 27.310 25.488 4.520 1.00 34.44 C ATOM 0 H TRP A 23 23.854 20.718 1.808 1.00 53.41 H new ATOM 0 HA TRP A 23 24.178 21.202 4.707 1.00 42.11 H new ATOM 0 HB2 TRP A 23 22.024 22.499 3.018 1.00 74.02 H new ATOM 0 HB3 TRP A 23 22.486 22.879 4.665 1.00 74.02 H new ATOM 0 HD1 TRP A 23 22.903 24.206 1.292 1.00 65.34 H new ATOM 0 HE1 TRP A 23 24.883 25.861 1.115 1.00 0.34 H new ATOM 0 HE3 TRP A 23 25.223 23.071 5.701 1.00 11.12 H new ATOM 0 HZ2 TRP A 23 27.113 26.559 2.681 1.00 4.10 H new ATOM 0 HZ3 TRP A 23 27.283 24.280 6.298 1.00 72.14 H new ATOM 0 HH2 TRP A 23 28.215 26.004 4.806 1.00 34.44 H new ATOM 403 N PRO A 24 22.073 19.886 5.252 1.00 60.55 N ATOM 404 CA PRO A 24 21.058 18.880 5.578 1.00 73.22 C ATOM 405 C PRO A 24 19.666 19.287 5.106 1.00 31.12 C ATOM 406 O PRO A 24 19.280 20.451 5.212 1.00 23.31 O ATOM 407 CB PRO A 24 21.105 18.810 7.106 1.00 4.42 C ATOM 408 CG PRO A 24 21.625 20.141 7.530 1.00 65.43 C ATOM 409 CD PRO A 24 22.578 20.576 6.450 1.00 31.34 C ATOM 0 HA PRO A 24 21.257 17.927 5.088 1.00 73.22 H new ATOM 0 HB2 PRO A 24 20.117 18.619 7.524 1.00 4.42 H new ATOM 0 HB3 PRO A 24 21.756 18.004 7.446 1.00 4.42 H new ATOM 0 HG2 PRO A 24 20.813 20.859 7.646 1.00 65.43 H new ATOM 0 HG3 PRO A 24 22.131 20.074 8.493 1.00 65.43 H new ATOM 0 HD2 PRO A 24 22.574 21.658 6.322 1.00 31.34 H new ATOM 0 HD3 PRO A 24 23.604 20.286 6.678 1.00 31.34 H new ATOM 417 N ALA A 25 18.916 18.321 4.586 1.00 63.22 N ATOM 418 CA ALA A 25 17.566 18.579 4.100 1.00 23.25 C ATOM 419 C ALA A 25 16.543 17.729 4.847 1.00 51.53 C ATOM 420 O ALA A 25 16.728 16.525 5.019 1.00 32.51 O ATOM 421 CB ALA A 25 17.484 18.315 2.604 1.00 32.33 C ATOM 0 H ALA A 25 19.221 17.352 4.490 1.00 63.22 H new ATOM 0 HA ALA A 25 17.333 19.628 4.285 1.00 23.25 H new ATOM 0 HB1 ALA A 25 16.470 18.512 2.255 1.00 32.33 H new ATOM 0 HB2 ALA A 25 18.181 18.969 2.080 1.00 32.33 H new ATOM 0 HB3 ALA A 25 17.741 17.275 2.403 1.00 32.33 H new ATOM 427 N LYS A 26 15.463 18.365 5.289 1.00 40.04 N ATOM 428 CA LYS A 26 14.409 17.668 6.016 1.00 11.53 C ATOM 429 C LYS A 26 13.040 17.974 5.416 1.00 2.04 C ATOM 430 O LYS A 26 12.715 19.130 5.143 1.00 30.50 O ATOM 431 CB LYS A 26 14.431 18.068 7.493 1.00 12.14 C ATOM 432 CG LYS A 26 13.149 17.729 8.234 1.00 21.34 C ATOM 433 CD LYS A 26 12.312 18.969 8.499 1.00 44.25 C ATOM 434 CE LYS A 26 12.939 19.846 9.572 1.00 34.34 C ATOM 435 NZ LYS A 26 12.008 20.916 10.027 1.00 21.55 N ATOM 0 H LYS A 26 15.295 19.362 5.156 1.00 40.04 H new ATOM 0 HA LYS A 26 14.591 16.597 5.933 1.00 11.53 H new ATOM 0 HB2 LYS A 26 15.267 17.569 7.983 1.00 12.14 H new ATOM 0 HB3 LYS A 26 14.611 19.140 7.568 1.00 12.14 H new ATOM 0 HG2 LYS A 26 12.568 17.015 7.650 1.00 21.34 H new ATOM 0 HG3 LYS A 26 13.392 17.244 9.180 1.00 21.34 H new ATOM 0 HD2 LYS A 26 12.205 19.541 7.577 1.00 44.25 H new ATOM 0 HD3 LYS A 26 11.310 18.673 8.809 1.00 44.25 H new ATOM 0 HE2 LYS A 26 13.227 19.229 10.423 1.00 34.34 H new ATOM 0 HE3 LYS A 26 13.851 20.299 9.184 1.00 34.34 H new ATOM 0 HZ1 LYS A 26 12.358 21.326 10.916 1.00 21.55 H new ATOM 0 HZ2 LYS A 26 11.952 21.659 9.302 1.00 21.55 H new ATOM 0 HZ3 LYS A 26 11.063 20.511 10.181 1.00 21.55 H new ATOM 449 N VAL A 27 12.241 16.931 5.215 1.00 0.01 N ATOM 450 CA VAL A 27 10.906 17.088 4.650 1.00 2.51 C ATOM 451 C VAL A 27 9.840 17.047 5.739 1.00 1.41 C ATOM 452 O VAL A 27 9.726 16.067 6.476 1.00 2.31 O ATOM 453 CB VAL A 27 10.604 15.993 3.610 1.00 43.52 C ATOM 454 CG1 VAL A 27 9.306 16.296 2.877 1.00 2.11 C ATOM 455 CG2 VAL A 27 11.760 15.857 2.630 1.00 71.10 C ATOM 0 H VAL A 27 12.495 15.968 5.435 1.00 0.01 H new ATOM 0 HA VAL A 27 10.883 18.061 4.159 1.00 2.51 H new ATOM 0 HB VAL A 27 10.485 15.043 4.131 1.00 43.52 H new ATOM 0 HG11 VAL A 27 9.109 15.512 2.146 1.00 2.11 H new ATOM 0 HG12 VAL A 27 8.485 16.339 3.593 1.00 2.11 H new ATOM 0 HG13 VAL A 27 9.392 17.255 2.366 1.00 2.11 H new ATOM 0 HG21 VAL A 27 11.530 15.079 1.902 1.00 71.10 H new ATOM 0 HG22 VAL A 27 11.912 16.804 2.113 1.00 71.10 H new ATOM 0 HG23 VAL A 27 12.667 15.590 3.172 1.00 71.10 H new ATOM 465 N THR A 28 9.059 18.119 5.836 1.00 71.23 N ATOM 466 CA THR A 28 8.002 18.206 6.835 1.00 13.20 C ATOM 467 C THR A 28 6.768 17.424 6.400 1.00 72.01 C ATOM 468 O THR A 28 5.801 17.302 7.152 1.00 1.12 O ATOM 469 CB THR A 28 7.600 19.669 7.102 1.00 43.22 C ATOM 470 OG1 THR A 28 6.544 19.719 8.067 1.00 53.21 O ATOM 471 CG2 THR A 28 7.153 20.351 5.817 1.00 24.42 C ATOM 0 H THR A 28 9.139 18.939 5.234 1.00 71.23 H new ATOM 0 HA THR A 28 8.399 17.772 7.753 1.00 13.20 H new ATOM 0 HB THR A 28 8.471 20.197 7.490 1.00 43.22 H new ATOM 0 HG1 THR A 28 5.943 18.957 7.934 1.00 53.21 H new ATOM 0 HG21 THR A 28 6.874 21.383 6.031 1.00 24.42 H new ATOM 0 HG22 THR A 28 7.970 20.338 5.095 1.00 24.42 H new ATOM 0 HG23 THR A 28 6.295 19.821 5.404 1.00 24.42 H new ATOM 479 N SER A 29 6.808 16.895 5.181 1.00 35.22 N ATOM 480 CA SER A 29 5.690 16.126 4.645 1.00 45.33 C ATOM 481 C SER A 29 4.448 17.000 4.504 1.00 52.12 C ATOM 482 O SER A 29 3.374 16.657 4.999 1.00 40.03 O ATOM 483 CB SER A 29 5.387 14.930 5.548 1.00 34.42 C ATOM 484 OG SER A 29 4.897 13.834 4.795 1.00 35.44 O ATOM 0 H SER A 29 7.601 16.985 4.546 1.00 35.22 H new ATOM 0 HA SER A 29 5.971 15.763 3.656 1.00 45.33 H new ATOM 0 HB2 SER A 29 6.291 14.634 6.081 1.00 34.42 H new ATOM 0 HB3 SER A 29 4.652 15.216 6.301 1.00 34.42 H new ATOM 0 HG SER A 29 4.712 13.081 5.395 1.00 35.44 H new ATOM 490 N VAL A 30 4.602 18.132 3.825 1.00 41.43 N ATOM 491 CA VAL A 30 3.494 19.056 3.617 1.00 55.23 C ATOM 492 C VAL A 30 3.270 19.321 2.132 1.00 32.11 C ATOM 493 O VAL A 30 4.117 19.911 1.460 1.00 33.31 O ATOM 494 CB VAL A 30 3.738 20.397 4.335 1.00 72.22 C ATOM 495 CG1 VAL A 30 2.575 21.349 4.099 1.00 64.15 C ATOM 496 CG2 VAL A 30 3.959 20.171 5.823 1.00 51.12 C ATOM 0 H VAL A 30 5.484 18.431 3.409 1.00 41.43 H new ATOM 0 HA VAL A 30 2.606 18.584 4.037 1.00 55.23 H new ATOM 0 HB VAL A 30 4.638 20.852 3.922 1.00 72.22 H new ATOM 0 HG11 VAL A 30 2.765 22.291 4.614 1.00 64.15 H new ATOM 0 HG12 VAL A 30 2.468 21.535 3.030 1.00 64.15 H new ATOM 0 HG13 VAL A 30 1.657 20.904 4.484 1.00 64.15 H new ATOM 0 HG21 VAL A 30 4.130 21.129 6.315 1.00 51.12 H new ATOM 0 HG22 VAL A 30 3.078 19.694 6.253 1.00 51.12 H new ATOM 0 HG23 VAL A 30 4.827 19.528 5.968 1.00 51.12 H new ATOM 506 N THR A 31 2.123 18.881 1.624 1.00 35.03 N ATOM 507 CA THR A 31 1.787 19.069 0.219 1.00 53.33 C ATOM 508 C THR A 31 1.442 20.525 -0.074 1.00 12.11 C ATOM 509 O THR A 31 1.448 21.367 0.823 1.00 11.01 O ATOM 510 CB THR A 31 0.602 18.179 -0.200 1.00 32.30 C ATOM 511 OG1 THR A 31 0.450 18.203 -1.624 1.00 20.43 O ATOM 512 CG2 THR A 31 -0.686 18.646 0.460 1.00 15.33 C ATOM 0 H THR A 31 1.411 18.392 2.166 1.00 35.03 H new ATOM 0 HA THR A 31 2.667 18.784 -0.357 1.00 53.33 H new ATOM 0 HB THR A 31 0.810 17.160 0.126 1.00 32.30 H new ATOM 0 HG1 THR A 31 -0.304 17.633 -1.882 1.00 20.43 H new ATOM 0 HG21 THR A 31 -1.509 18.002 0.149 1.00 15.33 H new ATOM 0 HG22 THR A 31 -0.578 18.598 1.544 1.00 15.33 H new ATOM 0 HG23 THR A 31 -0.896 19.673 0.161 1.00 15.33 H new ATOM 520 N GLY A 32 1.140 20.815 -1.336 1.00 61.00 N ATOM 521 CA GLY A 32 0.796 22.170 -1.724 1.00 10.41 C ATOM 522 C GLY A 32 -0.453 22.229 -2.580 1.00 74.12 C ATOM 523 O GLY A 32 -0.517 22.989 -3.547 1.00 34.41 O ATOM 0 H GLY A 32 1.128 20.135 -2.096 1.00 61.00 H new ATOM 0 HA2 GLY A 32 0.648 22.774 -0.829 1.00 10.41 H new ATOM 0 HA3 GLY A 32 1.629 22.610 -2.272 1.00 10.41 H new ATOM 527 N VAL A 33 -1.450 21.423 -2.227 1.00 3.14 N ATOM 528 CA VAL A 33 -2.703 21.386 -2.970 1.00 74.30 C ATOM 529 C VAL A 33 -3.870 21.013 -2.062 1.00 61.10 C ATOM 530 O VAL A 33 -4.673 21.866 -1.686 1.00 71.20 O ATOM 531 CB VAL A 33 -2.634 20.383 -4.137 1.00 33.53 C ATOM 532 CG1 VAL A 33 -3.971 20.310 -4.859 1.00 11.12 C ATOM 533 CG2 VAL A 33 -1.519 20.761 -5.099 1.00 41.43 C ATOM 0 H VAL A 33 -1.413 20.787 -1.431 1.00 3.14 H new ATOM 0 HA VAL A 33 -2.863 22.387 -3.370 1.00 74.30 H new ATOM 0 HB VAL A 33 -2.413 19.396 -3.732 1.00 33.53 H new ATOM 0 HG11 VAL A 33 -3.903 19.596 -5.680 1.00 11.12 H new ATOM 0 HG12 VAL A 33 -4.744 19.988 -4.161 1.00 11.12 H new ATOM 0 HG13 VAL A 33 -4.226 21.294 -5.253 1.00 11.12 H new ATOM 0 HG21 VAL A 33 -1.485 20.042 -5.917 1.00 41.43 H new ATOM 0 HG22 VAL A 33 -1.706 21.757 -5.499 1.00 41.43 H new ATOM 0 HG23 VAL A 33 -0.565 20.755 -4.571 1.00 41.43 H new ATOM 543 N GLU A 34 -3.956 19.733 -1.713 1.00 63.12 N ATOM 544 CA GLU A 34 -5.025 19.247 -0.849 1.00 10.51 C ATOM 545 C GLU A 34 -4.866 17.755 -0.572 1.00 4.32 C ATOM 546 O GLU A 34 -5.850 17.031 -0.428 1.00 5.02 O ATOM 547 CB GLU A 34 -6.389 19.516 -1.488 1.00 71.20 C ATOM 548 CG GLU A 34 -6.519 18.965 -2.898 1.00 53.53 C ATOM 549 CD GLU A 34 -7.100 19.977 -3.868 1.00 24.31 C ATOM 550 OE1 GLU A 34 -7.828 20.883 -3.413 1.00 10.50 O ATOM 551 OE2 GLU A 34 -6.826 19.861 -5.081 1.00 1.43 O ATOM 0 H GLU A 34 -3.298 19.014 -2.015 1.00 63.12 H new ATOM 0 HA GLU A 34 -4.963 19.783 0.098 1.00 10.51 H new ATOM 0 HB2 GLU A 34 -7.167 19.078 -0.862 1.00 71.20 H new ATOM 0 HB3 GLU A 34 -6.565 20.591 -1.509 1.00 71.20 H new ATOM 0 HG2 GLU A 34 -5.538 18.649 -3.253 1.00 53.53 H new ATOM 0 HG3 GLU A 34 -7.153 18.078 -2.881 1.00 53.53 H new ATOM 558 N GLY A 35 -3.617 17.303 -0.499 1.00 74.23 N ATOM 559 CA GLY A 35 -3.351 15.900 -0.241 1.00 21.23 C ATOM 560 C GLY A 35 -3.093 15.115 -1.511 1.00 65.05 C ATOM 561 O GLY A 35 -3.484 13.953 -1.623 1.00 55.30 O ATOM 0 H GLY A 35 -2.786 17.883 -0.614 1.00 74.23 H new ATOM 0 HA2 GLY A 35 -2.487 15.813 0.418 1.00 21.23 H new ATOM 0 HA3 GLY A 35 -4.200 15.464 0.286 1.00 21.23 H new ATOM 565 N VAL A 36 -2.432 15.751 -2.474 1.00 21.20 N ATOM 566 CA VAL A 36 -2.122 15.105 -3.744 1.00 31.01 C ATOM 567 C VAL A 36 -0.769 14.405 -3.689 1.00 1.03 C ATOM 568 O VAL A 36 -0.481 13.524 -4.498 1.00 61.55 O ATOM 569 CB VAL A 36 -2.116 16.119 -4.903 1.00 12.52 C ATOM 570 CG1 VAL A 36 -1.909 15.410 -6.232 1.00 40.34 C ATOM 571 CG2 VAL A 36 -3.408 16.923 -4.913 1.00 43.24 C ATOM 0 H VAL A 36 -2.101 16.713 -2.398 1.00 21.20 H new ATOM 0 HA VAL A 36 -2.903 14.366 -3.922 1.00 31.01 H new ATOM 0 HB VAL A 36 -1.286 16.810 -4.755 1.00 12.52 H new ATOM 0 HG11 VAL A 36 -1.908 16.143 -7.039 1.00 40.34 H new ATOM 0 HG12 VAL A 36 -0.955 14.883 -6.219 1.00 40.34 H new ATOM 0 HG13 VAL A 36 -2.716 14.695 -6.392 1.00 40.34 H new ATOM 0 HG21 VAL A 36 -3.387 17.635 -5.738 1.00 43.24 H new ATOM 0 HG22 VAL A 36 -4.255 16.249 -5.037 1.00 43.24 H new ATOM 0 HG23 VAL A 36 -3.508 17.462 -3.971 1.00 43.24 H new ATOM 581 N ASP A 37 0.058 14.803 -2.728 1.00 50.02 N ATOM 582 CA ASP A 37 1.382 14.213 -2.566 1.00 35.15 C ATOM 583 C ASP A 37 1.285 12.700 -2.394 1.00 53.15 C ATOM 584 O ASP A 37 2.232 11.971 -2.684 1.00 21.52 O ATOM 585 CB ASP A 37 2.094 14.830 -1.361 1.00 42.22 C ATOM 586 CG ASP A 37 3.371 14.095 -1.005 1.00 3.11 C ATOM 587 OD1 ASP A 37 4.085 13.661 -1.933 1.00 43.13 O ATOM 588 OD2 ASP A 37 3.657 13.955 0.202 1.00 23.44 O ATOM 0 H ASP A 37 -0.165 15.531 -2.050 1.00 50.02 H new ATOM 0 HA ASP A 37 1.959 14.423 -3.467 1.00 35.15 H new ATOM 0 HB2 ASP A 37 2.326 15.873 -1.575 1.00 42.22 H new ATOM 0 HB3 ASP A 37 1.422 14.822 -0.503 1.00 42.22 H new ATOM 635 N SER A 41 1.158 13.616 -8.990 1.00 71.23 N ATOM 636 CA SER A 41 1.261 14.960 -9.546 1.00 65.14 C ATOM 637 C SER A 41 0.371 15.109 -10.777 1.00 24.15 C ATOM 638 O SER A 41 0.023 16.221 -11.172 1.00 61.31 O ATOM 639 CB SER A 41 2.714 15.273 -9.913 1.00 34.34 C ATOM 640 OG SER A 41 2.812 16.512 -10.593 1.00 64.31 O ATOM 0 HA SER A 41 0.924 15.667 -8.788 1.00 65.14 H new ATOM 0 HB2 SER A 41 3.323 15.301 -9.009 1.00 34.34 H new ATOM 0 HB3 SER A 41 3.113 14.477 -10.541 1.00 34.34 H new ATOM 0 HG SER A 41 3.750 16.690 -10.815 1.00 64.31 H new ATOM 646 N GLU A 42 0.008 13.980 -11.376 1.00 72.44 N ATOM 647 CA GLU A 42 -0.841 13.984 -12.562 1.00 41.42 C ATOM 648 C GLU A 42 -2.172 14.672 -12.276 1.00 14.55 C ATOM 649 O GLU A 42 -2.749 15.323 -13.148 1.00 12.34 O ATOM 650 CB GLU A 42 -1.087 12.554 -13.046 1.00 33.21 C ATOM 651 CG GLU A 42 -1.847 11.696 -12.048 1.00 11.21 C ATOM 652 CD GLU A 42 -3.290 11.467 -12.455 1.00 3.11 C ATOM 653 OE1 GLU A 42 -3.539 11.252 -13.660 1.00 5.12 O ATOM 654 OE2 GLU A 42 -4.169 11.503 -11.570 1.00 35.14 O ATOM 0 H GLU A 42 0.288 13.051 -11.060 1.00 72.44 H new ATOM 0 HA GLU A 42 -0.325 14.540 -13.344 1.00 41.42 H new ATOM 0 HB2 GLU A 42 -1.644 12.587 -13.982 1.00 33.21 H new ATOM 0 HB3 GLU A 42 -0.128 12.082 -13.262 1.00 33.21 H new ATOM 0 HG2 GLU A 42 -1.345 10.734 -11.946 1.00 11.21 H new ATOM 0 HG3 GLU A 42 -1.821 12.175 -11.069 1.00 11.21 H new ATOM 661 N THR A 43 -2.656 14.523 -11.046 1.00 54.43 N ATOM 662 CA THR A 43 -3.920 15.128 -10.644 1.00 20.11 C ATOM 663 C THR A 43 -3.924 16.628 -10.918 1.00 21.55 C ATOM 664 O THR A 43 -4.726 17.122 -11.709 1.00 23.03 O ATOM 665 CB THR A 43 -4.206 14.890 -9.149 1.00 61.42 C ATOM 666 OG1 THR A 43 -4.117 13.492 -8.850 1.00 40.11 O ATOM 667 CG2 THR A 43 -5.586 15.407 -8.773 1.00 72.01 C ATOM 0 H THR A 43 -2.192 13.989 -10.312 1.00 54.43 H new ATOM 0 HA THR A 43 -4.701 14.651 -11.236 1.00 20.11 H new ATOM 0 HB THR A 43 -3.461 15.434 -8.568 1.00 61.42 H new ATOM 0 HG1 THR A 43 -4.299 13.349 -7.898 1.00 40.11 H new ATOM 0 HG21 THR A 43 -5.765 15.228 -7.713 1.00 72.01 H new ATOM 0 HG22 THR A 43 -5.641 16.477 -8.975 1.00 72.01 H new ATOM 0 HG23 THR A 43 -6.342 14.887 -9.362 1.00 72.01 H new ATOM 675 N GLY A 44 -3.021 17.347 -10.258 1.00 12.32 N ATOM 676 CA GLY A 44 -2.938 18.784 -10.445 1.00 3.15 C ATOM 677 C GLY A 44 -1.519 19.303 -10.322 1.00 1.22 C ATOM 678 O GLY A 44 -0.850 19.550 -11.326 1.00 53.12 O ATOM 0 H GLY A 44 -2.346 16.961 -9.598 1.00 12.32 H new ATOM 0 HA2 GLY A 44 -3.333 19.043 -11.428 1.00 3.15 H new ATOM 0 HA3 GLY A 44 -3.569 19.280 -9.707 1.00 3.15 H new ATOM 682 N THR A 45 -1.056 19.471 -9.087 1.00 15.53 N ATOM 683 CA THR A 45 0.291 19.967 -8.836 1.00 12.40 C ATOM 684 C THR A 45 0.759 19.601 -7.432 1.00 40.32 C ATOM 685 O THR A 45 0.949 20.473 -6.584 1.00 30.21 O ATOM 686 CB THR A 45 0.368 21.496 -9.008 1.00 53.21 C ATOM 687 OG1 THR A 45 -0.865 22.098 -8.598 1.00 0.14 O ATOM 688 CG2 THR A 45 0.660 21.864 -10.455 1.00 24.20 C ATOM 0 H THR A 45 -1.595 19.270 -8.245 1.00 15.53 H new ATOM 0 HA THR A 45 0.944 19.493 -9.569 1.00 12.40 H new ATOM 0 HB THR A 45 1.180 21.869 -8.383 1.00 53.21 H new ATOM 0 HG1 THR A 45 -0.807 23.070 -8.709 1.00 0.14 H new ATOM 0 HG21 THR A 45 0.710 22.949 -10.552 1.00 24.20 H new ATOM 0 HG22 THR A 45 1.613 21.429 -10.756 1.00 24.20 H new ATOM 0 HG23 THR A 45 -0.133 21.479 -11.096 1.00 24.20 H new ATOM 696 N SER A 46 0.944 18.307 -7.194 1.00 21.20 N ATOM 697 CA SER A 46 1.388 17.825 -5.891 1.00 53.20 C ATOM 698 C SER A 46 2.805 18.303 -5.589 1.00 31.31 C ATOM 699 O SER A 46 3.775 17.812 -6.167 1.00 23.54 O ATOM 700 CB SER A 46 1.331 16.297 -5.842 1.00 51.12 C ATOM 701 OG SER A 46 2.496 15.763 -5.237 1.00 74.43 O ATOM 0 H SER A 46 0.793 17.573 -7.886 1.00 21.20 H new ATOM 0 HA SER A 46 0.717 18.230 -5.133 1.00 53.20 H new ATOM 0 HB2 SER A 46 0.450 15.980 -5.284 1.00 51.12 H new ATOM 0 HB3 SER A 46 1.228 15.901 -6.852 1.00 51.12 H new ATOM 0 HG SER A 46 2.595 14.822 -5.492 1.00 74.43 H new ATOM 707 N THR A 47 2.917 19.265 -4.679 1.00 10.15 N ATOM 708 CA THR A 47 4.214 19.811 -4.299 1.00 51.13 C ATOM 709 C THR A 47 4.486 19.601 -2.814 1.00 70.02 C ATOM 710 O THR A 47 3.688 19.997 -1.964 1.00 43.24 O ATOM 711 CB THR A 47 4.305 21.315 -4.619 1.00 3.25 C ATOM 712 OG1 THR A 47 3.500 22.061 -3.699 1.00 10.01 O ATOM 713 CG2 THR A 47 3.849 21.595 -6.043 1.00 30.15 C ATOM 0 H THR A 47 2.125 19.682 -4.191 1.00 10.15 H new ATOM 0 HA THR A 47 4.965 19.277 -4.881 1.00 51.13 H new ATOM 0 HB THR A 47 5.346 21.622 -4.522 1.00 3.25 H new ATOM 0 HG1 THR A 47 3.273 21.497 -2.931 1.00 10.01 H new ATOM 0 HG21 THR A 47 3.922 22.664 -6.245 1.00 30.15 H new ATOM 0 HG22 THR A 47 4.483 21.049 -6.742 1.00 30.15 H new ATOM 0 HG23 THR A 47 2.815 21.273 -6.164 1.00 30.15 H new ATOM 721 N VAL A 48 5.618 18.975 -2.507 1.00 41.44 N ATOM 722 CA VAL A 48 5.996 18.714 -1.124 1.00 4.23 C ATOM 723 C VAL A 48 6.959 19.777 -0.607 1.00 42.52 C ATOM 724 O VAL A 48 8.104 19.864 -1.052 1.00 63.41 O ATOM 725 CB VAL A 48 6.651 17.328 -0.973 1.00 13.01 C ATOM 726 CG1 VAL A 48 6.989 17.053 0.484 1.00 23.03 C ATOM 727 CG2 VAL A 48 5.739 16.246 -1.530 1.00 71.55 C ATOM 0 H VAL A 48 6.289 18.639 -3.198 1.00 41.44 H new ATOM 0 HA VAL A 48 5.079 18.741 -0.535 1.00 4.23 H new ATOM 0 HB VAL A 48 7.579 17.319 -1.544 1.00 13.01 H new ATOM 0 HG11 VAL A 48 7.451 16.070 0.571 1.00 23.03 H new ATOM 0 HG12 VAL A 48 7.682 17.813 0.846 1.00 23.03 H new ATOM 0 HG13 VAL A 48 6.077 17.080 1.080 1.00 23.03 H new ATOM 0 HG21 VAL A 48 6.217 15.273 -1.416 1.00 71.55 H new ATOM 0 HG22 VAL A 48 4.794 16.252 -0.987 1.00 71.55 H new ATOM 0 HG23 VAL A 48 5.552 16.436 -2.587 1.00 71.55 H new ATOM 737 N THR A 49 6.488 20.587 0.336 1.00 33.02 N ATOM 738 CA THR A 49 7.306 21.646 0.914 1.00 60.32 C ATOM 739 C THR A 49 8.211 21.103 2.014 1.00 32.00 C ATOM 740 O THR A 49 7.740 20.497 2.977 1.00 72.15 O ATOM 741 CB THR A 49 6.435 22.777 1.492 1.00 31.44 C ATOM 742 OG1 THR A 49 5.478 23.205 0.518 1.00 54.34 O ATOM 743 CG2 THR A 49 7.294 23.957 1.920 1.00 62.21 C ATOM 0 H THR A 49 5.543 20.530 0.716 1.00 33.02 H new ATOM 0 HA THR A 49 7.920 22.047 0.108 1.00 60.32 H new ATOM 0 HB THR A 49 5.913 22.392 2.368 1.00 31.44 H new ATOM 0 HG1 THR A 49 4.927 23.923 0.894 1.00 54.34 H new ATOM 0 HG21 THR A 49 6.657 24.743 2.325 1.00 62.21 H new ATOM 0 HG22 THR A 49 8.001 23.634 2.684 1.00 62.21 H new ATOM 0 HG23 THR A 49 7.840 24.341 1.058 1.00 62.21 H new ATOM 751 N VAL A 50 9.513 21.325 1.866 1.00 21.20 N ATOM 752 CA VAL A 50 10.484 20.859 2.849 1.00 44.33 C ATOM 753 C VAL A 50 11.225 22.029 3.486 1.00 44.41 C ATOM 754 O VAL A 50 11.471 23.049 2.840 1.00 52.11 O ATOM 755 CB VAL A 50 11.510 19.901 2.214 1.00 13.01 C ATOM 756 CG1 VAL A 50 10.810 18.878 1.332 1.00 42.42 C ATOM 757 CG2 VAL A 50 12.547 20.681 1.421 1.00 64.11 C ATOM 0 H VAL A 50 9.920 21.824 1.075 1.00 21.20 H new ATOM 0 HA VAL A 50 9.925 20.324 3.617 1.00 44.33 H new ATOM 0 HB VAL A 50 12.024 19.366 3.012 1.00 13.01 H new ATOM 0 HG11 VAL A 50 11.550 18.210 0.892 1.00 42.42 H new ATOM 0 HG12 VAL A 50 10.110 18.298 1.933 1.00 42.42 H new ATOM 0 HG13 VAL A 50 10.268 19.392 0.538 1.00 42.42 H new ATOM 0 HG21 VAL A 50 13.264 19.989 0.979 1.00 64.11 H new ATOM 0 HG22 VAL A 50 12.052 21.244 0.630 1.00 64.11 H new ATOM 0 HG23 VAL A 50 13.070 21.370 2.084 1.00 64.11 H new ATOM 767 N LEU A 51 11.580 21.876 4.757 1.00 42.11 N ATOM 768 CA LEU A 51 12.295 22.920 5.483 1.00 13.31 C ATOM 769 C LEU A 51 13.428 22.328 6.314 1.00 65.54 C ATOM 770 O LEU A 51 13.192 21.602 7.280 1.00 13.45 O ATOM 771 CB LEU A 51 11.332 23.689 6.389 1.00 15.22 C ATOM 772 CG LEU A 51 11.618 25.181 6.560 1.00 13.51 C ATOM 773 CD1 LEU A 51 10.449 25.874 7.243 1.00 0.35 C ATOM 774 CD2 LEU A 51 12.901 25.391 7.351 1.00 52.32 C ATOM 0 H LEU A 51 11.384 21.039 5.306 1.00 42.11 H new ATOM 0 HA LEU A 51 12.725 23.606 4.753 1.00 13.31 H new ATOM 0 HB2 LEU A 51 10.323 23.576 5.992 1.00 15.22 H new ATOM 0 HB3 LEU A 51 11.341 23.223 7.374 1.00 15.22 H new ATOM 0 HG LEU A 51 11.748 25.622 5.572 1.00 13.51 H new ATOM 0 HD11 LEU A 51 10.671 26.935 7.356 1.00 0.35 H new ATOM 0 HD12 LEU A 51 9.551 25.754 6.638 1.00 0.35 H new ATOM 0 HD13 LEU A 51 10.287 25.431 8.225 1.00 0.35 H new ATOM 0 HD21 LEU A 51 13.089 26.459 7.463 1.00 52.32 H new ATOM 0 HD22 LEU A 51 12.800 24.935 8.336 1.00 52.32 H new ATOM 0 HD23 LEU A 51 13.735 24.930 6.821 1.00 52.32 H new ATOM 786 N THR A 52 14.662 22.642 5.932 1.00 44.44 N ATOM 787 CA THR A 52 15.833 22.142 6.641 1.00 42.30 C ATOM 788 C THR A 52 15.899 22.704 8.057 1.00 65.53 C ATOM 789 O THR A 52 14.953 23.333 8.531 1.00 70.45 O ATOM 790 CB THR A 52 17.135 22.499 5.898 1.00 33.42 C ATOM 791 OG1 THR A 52 17.436 23.887 6.076 1.00 53.23 O ATOM 792 CG2 THR A 52 17.014 22.186 4.414 1.00 13.43 C ATOM 0 H THR A 52 14.876 23.241 5.135 1.00 44.44 H new ATOM 0 HA THR A 52 15.736 21.057 6.687 1.00 42.30 H new ATOM 0 HB THR A 52 17.942 21.897 6.315 1.00 33.42 H new ATOM 0 HG1 THR A 52 18.266 24.105 5.602 1.00 53.23 H new ATOM 0 HG21 THR A 52 17.945 22.446 3.910 1.00 13.43 H new ATOM 0 HG22 THR A 52 16.815 21.123 4.282 1.00 13.43 H new ATOM 0 HG23 THR A 52 16.196 22.765 3.986 1.00 13.43 H new ATOM 800 N TYR A 53 17.023 22.473 8.727 1.00 34.14 N ATOM 801 CA TYR A 53 17.211 22.954 10.091 1.00 44.54 C ATOM 802 C TYR A 53 18.151 24.156 10.119 1.00 64.23 C ATOM 803 O TYR A 53 19.054 24.290 9.292 1.00 21.03 O ATOM 804 CB TYR A 53 17.767 21.838 10.976 1.00 34.41 C ATOM 805 CG TYR A 53 16.836 21.434 12.097 1.00 15.20 C ATOM 806 CD1 TYR A 53 15.495 21.164 11.850 1.00 2.44 C ATOM 807 CD2 TYR A 53 17.297 21.322 13.403 1.00 72.00 C ATOM 808 CE1 TYR A 53 14.641 20.796 12.872 1.00 51.33 C ATOM 809 CE2 TYR A 53 16.450 20.953 14.430 1.00 0.03 C ATOM 810 CZ TYR A 53 15.123 20.692 14.160 1.00 60.23 C ATOM 811 OH TYR A 53 14.276 20.324 15.180 1.00 74.04 O ATOM 0 H TYR A 53 17.817 21.956 8.348 1.00 34.14 H new ATOM 0 HA TYR A 53 16.240 23.265 10.477 1.00 44.54 H new ATOM 0 HB2 TYR A 53 17.977 20.966 10.357 1.00 34.41 H new ATOM 0 HB3 TYR A 53 18.716 22.163 11.402 1.00 34.41 H new ATOM 0 HD1 TYR A 53 15.114 21.243 10.842 1.00 2.44 H new ATOM 0 HD2 TYR A 53 18.335 21.527 13.619 1.00 72.00 H new ATOM 0 HE1 TYR A 53 13.601 20.591 12.663 1.00 51.33 H new ATOM 0 HE2 TYR A 53 16.825 20.869 15.439 1.00 0.03 H new ATOM 0 HH TYR A 53 14.773 20.297 16.024 1.00 74.04 H new ATOM 821 N PRO A 54 17.936 25.052 11.094 1.00 71.54 N ATOM 822 CA PRO A 54 18.753 26.258 11.255 1.00 24.43 C ATOM 823 C PRO A 54 20.169 25.940 11.726 1.00 74.13 C ATOM 824 O PRO A 54 20.363 25.351 12.788 1.00 35.21 O ATOM 825 CB PRO A 54 18.001 27.055 12.324 1.00 42.35 C ATOM 826 CG PRO A 54 17.244 26.032 13.098 1.00 63.14 C ATOM 827 CD PRO A 54 16.878 24.956 12.113 1.00 21.45 C ATOM 0 HA PRO A 54 18.880 26.794 10.314 1.00 24.43 H new ATOM 0 HB2 PRO A 54 18.690 27.606 12.964 1.00 42.35 H new ATOM 0 HB3 PRO A 54 17.330 27.787 11.873 1.00 42.35 H new ATOM 0 HG2 PRO A 54 17.850 25.629 13.909 1.00 63.14 H new ATOM 0 HG3 PRO A 54 16.353 26.466 13.551 1.00 63.14 H new ATOM 0 HD2 PRO A 54 16.859 23.972 12.581 1.00 21.45 H new ATOM 0 HD3 PRO A 54 15.890 25.123 11.684 1.00 21.45 H new ATOM 835 N GLY A 55 21.156 26.335 10.927 1.00 33.20 N ATOM 836 CA GLY A 55 22.541 26.083 11.279 1.00 12.35 C ATOM 837 C GLY A 55 23.026 26.981 12.401 1.00 71.33 C ATOM 838 O GLY A 55 22.306 27.221 13.371 1.00 71.54 O ATOM 0 H GLY A 55 21.021 26.825 10.043 1.00 33.20 H new ATOM 0 HA2 GLY A 55 22.653 25.041 11.578 1.00 12.35 H new ATOM 0 HA3 GLY A 55 23.169 26.232 10.401 1.00 12.35 H new ATOM 842 N THR A 56 24.252 27.478 12.270 1.00 30.04 N ATOM 843 CA THR A 56 24.834 28.351 13.282 1.00 51.34 C ATOM 844 C THR A 56 24.767 29.812 12.851 1.00 44.03 C ATOM 845 O THR A 56 24.661 30.710 13.685 1.00 30.15 O ATOM 846 CB THR A 56 26.301 27.979 13.569 1.00 73.13 C ATOM 847 OG1 THR A 56 26.894 28.956 14.431 1.00 23.33 O ATOM 848 CG2 THR A 56 27.098 27.885 12.277 1.00 60.44 C ATOM 0 H THR A 56 24.861 27.291 11.473 1.00 30.04 H new ATOM 0 HA THR A 56 24.248 28.215 14.191 1.00 51.34 H new ATOM 0 HB THR A 56 26.317 27.005 14.059 1.00 73.13 H new ATOM 0 HG1 THR A 56 27.826 28.712 14.610 1.00 23.33 H new ATOM 0 HG21 THR A 56 28.131 27.621 12.505 1.00 60.44 H new ATOM 0 HG22 THR A 56 26.661 27.120 11.635 1.00 60.44 H new ATOM 0 HG23 THR A 56 27.074 28.846 11.764 1.00 60.44 H new ATOM 856 N GLN A 57 24.830 30.042 11.543 1.00 22.11 N ATOM 857 CA GLN A 57 24.777 31.395 11.002 1.00 11.05 C ATOM 858 C GLN A 57 23.672 31.521 9.959 1.00 43.05 C ATOM 859 O GLN A 57 23.029 32.563 9.844 1.00 10.44 O ATOM 860 CB GLN A 57 26.124 31.774 10.385 1.00 62.52 C ATOM 861 CG GLN A 57 26.921 32.762 11.221 1.00 15.20 C ATOM 862 CD GLN A 57 26.469 34.195 11.018 1.00 33.02 C ATOM 863 OE1 GLN A 57 26.173 34.907 11.979 1.00 64.24 O ATOM 864 NE2 GLN A 57 26.413 34.626 9.764 1.00 55.44 N ATOM 0 H GLN A 57 24.918 29.309 10.839 1.00 22.11 H new ATOM 0 HA GLN A 57 24.557 32.079 11.822 1.00 11.05 H new ATOM 0 HB2 GLN A 57 26.716 30.870 10.244 1.00 62.52 H new ATOM 0 HB3 GLN A 57 25.954 32.201 9.397 1.00 62.52 H new ATOM 0 HG2 GLN A 57 26.826 32.501 12.275 1.00 15.20 H new ATOM 0 HG3 GLN A 57 27.978 32.679 10.966 1.00 15.20 H new ATOM 0 HE21 GLN A 57 26.667 34.002 8.998 1.00 55.44 H new ATOM 0 HE22 GLN A 57 26.116 35.581 9.566 1.00 55.44 H new ATOM 873 N ASN A 58 23.458 30.452 9.198 1.00 24.15 N ATOM 874 CA ASN A 58 22.432 30.443 8.163 1.00 53.43 C ATOM 875 C ASN A 58 21.135 29.835 8.687 1.00 14.24 C ATOM 876 O ASN A 58 21.153 28.901 9.489 1.00 4.02 O ATOM 877 CB ASN A 58 22.917 29.661 6.941 1.00 41.34 C ATOM 878 CG ASN A 58 22.595 30.367 5.637 1.00 23.24 C ATOM 879 OD1 ASN A 58 23.194 31.391 5.309 1.00 41.12 O ATOM 880 ND2 ASN A 58 21.645 29.820 4.888 1.00 51.30 N ATOM 0 H ASN A 58 23.982 29.581 9.279 1.00 24.15 H new ATOM 0 HA ASN A 58 22.237 31.475 7.872 1.00 53.43 H new ATOM 0 HB2 ASN A 58 23.994 29.511 7.013 1.00 41.34 H new ATOM 0 HB3 ASN A 58 22.457 28.673 6.939 1.00 41.34 H new ATOM 0 HD21 ASN A 58 21.385 30.250 4.000 1.00 51.30 H new ATOM 0 HD22 ASN A 58 21.175 28.970 5.200 1.00 51.30 H new ATOM 887 N LYS A 59 20.008 30.371 8.229 1.00 45.00 N ATOM 888 CA LYS A 59 18.701 29.881 8.649 1.00 0.33 C ATOM 889 C LYS A 59 18.098 28.963 7.591 1.00 21.11 C ATOM 890 O LYS A 59 18.395 29.090 6.404 1.00 64.43 O ATOM 891 CB LYS A 59 17.757 31.055 8.919 1.00 34.23 C ATOM 892 CG LYS A 59 16.918 30.884 10.174 1.00 53.20 C ATOM 893 CD LYS A 59 17.741 31.114 11.431 1.00 55.25 C ATOM 894 CE LYS A 59 16.891 30.981 12.685 1.00 0.12 C ATOM 895 NZ LYS A 59 16.889 32.235 13.489 1.00 21.42 N ATOM 0 H LYS A 59 19.974 31.146 7.566 1.00 45.00 H new ATOM 0 HA LYS A 59 18.833 29.309 9.568 1.00 0.33 H new ATOM 0 HB2 LYS A 59 18.344 31.970 9.006 1.00 34.23 H new ATOM 0 HB3 LYS A 59 17.094 31.182 8.063 1.00 34.23 H new ATOM 0 HG2 LYS A 59 16.082 31.584 10.152 1.00 53.20 H new ATOM 0 HG3 LYS A 59 16.493 29.880 10.195 1.00 53.20 H new ATOM 0 HD2 LYS A 59 18.560 30.396 11.467 1.00 55.25 H new ATOM 0 HD3 LYS A 59 18.189 32.107 11.397 1.00 55.25 H new ATOM 0 HE2 LYS A 59 15.868 30.727 12.405 1.00 0.12 H new ATOM 0 HE3 LYS A 59 17.268 30.160 13.294 1.00 0.12 H new ATOM 0 HZ1 LYS A 59 16.299 32.104 14.335 1.00 21.42 H new ATOM 0 HZ2 LYS A 59 17.862 32.464 13.777 1.00 21.42 H new ATOM 0 HZ3 LYS A 59 16.505 33.014 12.916 1.00 21.42 H new ATOM 909 N ALA A 60 17.249 28.040 8.030 1.00 73.32 N ATOM 910 CA ALA A 60 16.602 27.103 7.120 1.00 74.13 C ATOM 911 C ALA A 60 15.525 27.797 6.292 1.00 31.41 C ATOM 912 O ALA A 60 14.771 28.625 6.804 1.00 53.14 O ATOM 913 CB ALA A 60 16.005 25.939 7.897 1.00 55.11 C ATOM 0 H ALA A 60 16.993 27.921 9.010 1.00 73.32 H new ATOM 0 HA ALA A 60 17.358 26.719 6.436 1.00 74.13 H new ATOM 0 HB1 ALA A 60 15.525 25.247 7.205 1.00 55.11 H new ATOM 0 HB2 ALA A 60 16.795 25.420 8.439 1.00 55.11 H new ATOM 0 HB3 ALA A 60 15.266 26.315 8.605 1.00 55.11 H new ATOM 919 N THR A 61 15.458 27.454 5.009 1.00 23.13 N ATOM 920 CA THR A 61 14.475 28.045 4.110 1.00 3.13 C ATOM 921 C THR A 61 13.350 27.063 3.803 1.00 4.24 C ATOM 922 O THR A 61 13.466 25.868 4.074 1.00 33.41 O ATOM 923 CB THR A 61 15.123 28.496 2.787 1.00 22.34 C ATOM 924 OG1 THR A 61 16.540 28.618 2.953 1.00 63.34 O ATOM 925 CG2 THR A 61 14.545 29.825 2.327 1.00 11.20 C ATOM 0 H THR A 61 16.073 26.770 4.569 1.00 23.13 H new ATOM 0 HA THR A 61 14.064 28.916 4.620 1.00 3.13 H new ATOM 0 HB THR A 61 14.910 27.743 2.028 1.00 22.34 H new ATOM 0 HG1 THR A 61 16.945 28.903 2.107 1.00 63.34 H new ATOM 0 HG21 THR A 61 15.018 30.123 1.391 1.00 11.20 H new ATOM 0 HG22 THR A 61 13.471 29.721 2.174 1.00 11.20 H new ATOM 0 HG23 THR A 61 14.731 30.585 3.086 1.00 11.20 H new ATOM 933 N TYR A 62 12.263 27.575 3.237 1.00 64.34 N ATOM 934 CA TYR A 62 11.116 26.742 2.894 1.00 2.43 C ATOM 935 C TYR A 62 10.769 26.875 1.415 1.00 63.34 C ATOM 936 O TYR A 62 10.562 27.978 0.909 1.00 15.01 O ATOM 937 CB TYR A 62 9.907 27.127 3.749 1.00 25.43 C ATOM 938 CG TYR A 62 9.635 28.614 3.779 1.00 73.53 C ATOM 939 CD1 TYR A 62 10.282 29.441 4.688 1.00 62.12 C ATOM 940 CD2 TYR A 62 8.730 29.191 2.896 1.00 10.14 C ATOM 941 CE1 TYR A 62 10.035 30.800 4.719 1.00 63.34 C ATOM 942 CE2 TYR A 62 8.478 30.549 2.919 1.00 50.30 C ATOM 943 CZ TYR A 62 9.133 31.349 3.832 1.00 13.22 C ATOM 944 OH TYR A 62 8.885 32.703 3.859 1.00 61.53 O ATOM 0 H TYR A 62 12.152 28.562 3.006 1.00 64.34 H new ATOM 0 HA TYR A 62 11.380 25.704 3.095 1.00 2.43 H new ATOM 0 HB2 TYR A 62 9.025 26.612 3.368 1.00 25.43 H new ATOM 0 HB3 TYR A 62 10.066 26.775 4.768 1.00 25.43 H new ATOM 0 HD1 TYR A 62 10.990 29.014 5.383 1.00 62.12 H new ATOM 0 HD2 TYR A 62 8.215 28.567 2.180 1.00 10.14 H new ATOM 0 HE1 TYR A 62 10.545 31.429 5.434 1.00 63.34 H new ATOM 0 HE2 TYR A 62 7.772 30.982 2.226 1.00 50.30 H new ATOM 0 HH TYR A 62 8.226 32.929 3.170 1.00 61.53 H new ATOM 954 N LYS A 63 10.708 25.741 0.724 1.00 33.05 N ATOM 955 CA LYS A 63 10.384 25.727 -0.697 1.00 62.42 C ATOM 956 C LYS A 63 9.523 24.517 -1.047 1.00 43.11 C ATOM 957 O LYS A 63 9.642 23.460 -0.430 1.00 64.41 O ATOM 958 CB LYS A 63 11.666 25.712 -1.533 1.00 1.41 C ATOM 959 CG LYS A 63 11.457 26.142 -2.975 1.00 2.24 C ATOM 960 CD LYS A 63 12.642 26.938 -3.497 1.00 30.53 C ATOM 961 CE LYS A 63 12.296 27.674 -4.782 1.00 22.30 C ATOM 962 NZ LYS A 63 13.509 28.215 -5.455 1.00 5.45 N ATOM 0 H LYS A 63 10.879 24.819 1.126 1.00 33.05 H new ATOM 0 HA LYS A 63 9.819 26.631 -0.924 1.00 62.42 H new ATOM 0 HB2 LYS A 63 12.400 26.371 -1.069 1.00 1.41 H new ATOM 0 HB3 LYS A 63 12.087 24.707 -1.520 1.00 1.41 H new ATOM 0 HG2 LYS A 63 11.305 25.262 -3.600 1.00 2.24 H new ATOM 0 HG3 LYS A 63 10.552 26.745 -3.048 1.00 2.24 H new ATOM 0 HD2 LYS A 63 12.962 27.655 -2.741 1.00 30.53 H new ATOM 0 HD3 LYS A 63 13.482 26.267 -3.676 1.00 30.53 H new ATOM 0 HE2 LYS A 63 11.776 26.997 -5.460 1.00 22.30 H new ATOM 0 HE3 LYS A 63 11.610 28.491 -4.559 1.00 22.30 H new ATOM 0 HZ1 LYS A 63 13.231 28.709 -6.327 1.00 5.45 H new ATOM 0 HZ2 LYS A 63 13.992 28.881 -4.818 1.00 5.45 H new ATOM 0 HZ3 LYS A 63 14.153 27.433 -5.691 1.00 5.45 H new ATOM 976 N ASN A 64 8.657 24.681 -2.042 1.00 63.30 N ATOM 977 CA ASN A 64 7.777 23.601 -2.474 1.00 41.25 C ATOM 978 C ASN A 64 8.330 22.914 -3.719 1.00 62.12 C ATOM 979 O ASN A 64 8.595 23.561 -4.733 1.00 23.43 O ATOM 980 CB ASN A 64 6.374 24.142 -2.758 1.00 30.34 C ATOM 981 CG ASN A 64 6.357 25.132 -3.906 1.00 74.43 C ATOM 982 OD1 ASN A 64 6.793 26.274 -3.763 1.00 35.14 O ATOM 983 ND2 ASN A 64 5.851 24.696 -5.055 1.00 0.45 N ATOM 0 H ASN A 64 8.546 25.550 -2.564 1.00 63.30 H new ATOM 0 HA ASN A 64 7.721 22.867 -1.670 1.00 41.25 H new ATOM 0 HB2 ASN A 64 5.707 23.311 -2.989 1.00 30.34 H new ATOM 0 HB3 ASN A 64 5.985 24.624 -1.861 1.00 30.34 H new ATOM 0 HD21 ASN A 64 5.813 25.317 -5.864 1.00 0.45 H new ATOM 0 HD22 ASN A 64 5.501 23.741 -5.128 1.00 0.45 H new ATOM 990 N VAL A 65 8.501 21.598 -3.635 1.00 45.44 N ATOM 991 CA VAL A 65 9.021 20.822 -4.755 1.00 2.21 C ATOM 992 C VAL A 65 8.453 19.407 -4.754 1.00 1.55 C ATOM 993 O VAL A 65 8.093 18.873 -3.705 1.00 15.35 O ATOM 994 CB VAL A 65 10.559 20.746 -4.719 1.00 42.21 C ATOM 995 CG1 VAL A 65 11.163 22.142 -4.728 1.00 43.13 C ATOM 996 CG2 VAL A 65 11.025 19.963 -3.501 1.00 62.55 C ATOM 0 H VAL A 65 8.287 21.047 -2.803 1.00 45.44 H new ATOM 0 HA VAL A 65 8.711 21.334 -5.666 1.00 2.21 H new ATOM 0 HB VAL A 65 10.901 20.222 -5.612 1.00 42.21 H new ATOM 0 HG11 VAL A 65 12.250 22.068 -4.702 1.00 43.13 H new ATOM 0 HG12 VAL A 65 10.856 22.665 -5.634 1.00 43.13 H new ATOM 0 HG13 VAL A 65 10.816 22.694 -3.855 1.00 43.13 H new ATOM 0 HG21 VAL A 65 12.114 19.919 -3.491 1.00 62.55 H new ATOM 0 HG22 VAL A 65 10.674 20.457 -2.595 1.00 62.55 H new ATOM 0 HG23 VAL A 65 10.622 18.951 -3.543 1.00 62.55 H new ATOM 1006 N ASP A 66 8.377 18.806 -5.935 1.00 72.43 N ATOM 1007 CA ASP A 66 7.854 17.451 -6.071 1.00 51.00 C ATOM 1008 C ASP A 66 8.635 16.477 -5.195 1.00 21.40 C ATOM 1009 O ASP A 66 8.080 15.504 -4.684 1.00 22.01 O ATOM 1010 CB ASP A 66 7.913 17.003 -7.532 1.00 70.31 C ATOM 1011 CG ASP A 66 6.616 16.369 -7.996 1.00 41.33 C ATOM 1012 OD1 ASP A 66 5.685 17.120 -8.355 1.00 61.25 O ATOM 1013 OD2 ASP A 66 6.532 15.123 -8.000 1.00 12.15 O ATOM 0 H ASP A 66 8.671 19.235 -6.813 1.00 72.43 H new ATOM 0 HA ASP A 66 6.815 17.454 -5.742 1.00 51.00 H new ATOM 0 HB2 ASP A 66 8.140 17.862 -8.163 1.00 70.31 H new ATOM 0 HB3 ASP A 66 8.728 16.290 -7.658 1.00 70.31 H new ATOM 1018 N SER A 67 9.926 16.744 -5.027 1.00 42.11 N ATOM 1019 CA SER A 67 10.785 15.888 -4.217 1.00 41.30 C ATOM 1020 C SER A 67 12.213 16.425 -4.185 1.00 52.44 C ATOM 1021 O SER A 67 12.861 16.438 -3.138 1.00 54.12 O ATOM 1022 CB SER A 67 10.778 14.459 -4.763 1.00 52.21 C ATOM 1023 OG SER A 67 10.490 13.523 -3.739 1.00 5.35 O ATOM 0 H SER A 67 10.400 17.546 -5.441 1.00 42.11 H new ATOM 0 HA SER A 67 10.394 15.883 -3.199 1.00 41.30 H new ATOM 0 HB2 SER A 67 10.036 14.373 -5.557 1.00 52.21 H new ATOM 0 HB3 SER A 67 11.747 14.231 -5.206 1.00 52.21 H new ATOM 0 HG SER A 67 10.490 12.618 -4.114 1.00 5.35 H new ATOM 1029 N HIS A 68 12.697 16.869 -5.341 1.00 63.52 N ATOM 1030 CA HIS A 68 14.048 17.408 -5.447 1.00 64.22 C ATOM 1031 C HIS A 68 15.087 16.337 -5.127 1.00 44.35 C ATOM 1032 O HIS A 68 16.250 16.645 -4.866 1.00 42.34 O ATOM 1033 CB HIS A 68 14.220 18.599 -4.505 1.00 1.35 C ATOM 1034 CG HIS A 68 14.222 19.923 -5.206 1.00 33.30 C ATOM 1035 ND1 HIS A 68 14.973 20.998 -4.782 1.00 44.22 N ATOM 1036 CD2 HIS A 68 13.558 20.341 -6.309 1.00 65.55 C ATOM 1037 CE1 HIS A 68 14.771 22.021 -5.594 1.00 22.14 C ATOM 1038 NE2 HIS A 68 13.917 21.648 -6.529 1.00 71.23 N ATOM 0 H HIS A 68 12.174 16.866 -6.217 1.00 63.52 H new ATOM 0 HA HIS A 68 14.200 17.742 -6.474 1.00 64.22 H new ATOM 0 HB2 HIS A 68 13.416 18.588 -3.769 1.00 1.35 H new ATOM 0 HB3 HIS A 68 15.155 18.486 -3.957 1.00 1.35 H new ATOM 0 HD2 HIS A 68 12.873 19.756 -6.905 1.00 65.55 H new ATOM 0 HE1 HIS A 68 15.227 22.996 -5.507 1.00 22.14 H new ATOM 0 HE2 HIS A 68 13.579 22.235 -7.291 1.00 71.23 H new ATOM 1046 N SER A 69 14.660 15.079 -5.149 1.00 75.02 N ATOM 1047 CA SER A 69 15.552 13.963 -4.857 1.00 54.11 C ATOM 1048 C SER A 69 16.687 13.894 -5.874 1.00 53.42 C ATOM 1049 O SER A 69 17.733 13.300 -5.614 1.00 51.21 O ATOM 1050 CB SER A 69 14.772 12.647 -4.856 1.00 24.52 C ATOM 1051 OG SER A 69 15.500 11.624 -4.198 1.00 21.11 O ATOM 0 H SER A 69 13.701 14.807 -5.366 1.00 75.02 H new ATOM 0 HA SER A 69 15.983 14.123 -3.869 1.00 54.11 H new ATOM 0 HB2 SER A 69 13.811 12.790 -4.361 1.00 24.52 H new ATOM 0 HB3 SER A 69 14.560 12.345 -5.882 1.00 24.52 H new ATOM 0 HG SER A 69 14.980 10.793 -4.209 1.00 21.11 H new ATOM 1057 N SER A 70 16.471 14.507 -7.034 1.00 4.00 N ATOM 1058 CA SER A 70 17.474 14.513 -8.093 1.00 31.10 C ATOM 1059 C SER A 70 18.640 15.428 -7.732 1.00 23.43 C ATOM 1060 O SER A 70 19.665 15.444 -8.413 1.00 71.42 O ATOM 1061 CB SER A 70 16.848 14.963 -9.414 1.00 51.52 C ATOM 1062 OG SER A 70 16.829 13.905 -10.356 1.00 53.25 O ATOM 0 H SER A 70 15.611 15.005 -7.264 1.00 4.00 H new ATOM 0 HA SER A 70 17.854 13.497 -8.206 1.00 31.10 H new ATOM 0 HB2 SER A 70 15.832 15.315 -9.237 1.00 51.52 H new ATOM 0 HB3 SER A 70 17.411 15.804 -9.819 1.00 51.52 H new ATOM 0 HG SER A 70 16.423 14.218 -11.191 1.00 53.25 H new ATOM 1068 N ALA A 71 18.476 16.188 -6.654 1.00 51.24 N ATOM 1069 CA ALA A 71 19.515 17.104 -6.200 1.00 53.44 C ATOM 1070 C ALA A 71 20.036 16.705 -4.824 1.00 60.32 C ATOM 1071 O ALA A 71 21.144 17.078 -4.437 1.00 53.33 O ATOM 1072 CB ALA A 71 18.985 18.531 -6.173 1.00 23.45 C ATOM 0 H ALA A 71 17.634 16.187 -6.079 1.00 51.24 H new ATOM 0 HA ALA A 71 20.346 17.050 -6.903 1.00 53.44 H new ATOM 0 HB1 ALA A 71 19.771 19.205 -5.832 1.00 23.45 H new ATOM 0 HB2 ALA A 71 18.668 18.820 -7.175 1.00 23.45 H new ATOM 0 HB3 ALA A 71 18.136 18.591 -5.493 1.00 23.45 H new ATOM 1078 N ILE A 72 19.231 15.944 -4.090 1.00 1.43 N ATOM 1079 CA ILE A 72 19.612 15.494 -2.757 1.00 4.32 C ATOM 1080 C ILE A 72 19.715 13.974 -2.698 1.00 74.02 C ATOM 1081 O ILE A 72 18.877 13.262 -3.253 1.00 70.22 O ATOM 1082 CB ILE A 72 18.607 15.971 -1.692 1.00 53.44 C ATOM 1083 CG1 ILE A 72 17.236 15.337 -1.934 1.00 74.21 C ATOM 1084 CG2 ILE A 72 18.503 17.489 -1.704 1.00 4.21 C ATOM 1085 CD1 ILE A 72 16.189 15.758 -0.926 1.00 71.44 C ATOM 0 H ILE A 72 18.311 15.626 -4.396 1.00 1.43 H new ATOM 0 HA ILE A 72 20.588 15.930 -2.544 1.00 4.32 H new ATOM 0 HB ILE A 72 18.964 15.658 -0.711 1.00 53.44 H new ATOM 0 HG12 ILE A 72 16.893 15.603 -2.934 1.00 74.21 H new ATOM 0 HG13 ILE A 72 17.337 14.252 -1.909 1.00 74.21 H new ATOM 0 HG21 ILE A 72 17.789 17.811 -0.946 1.00 4.21 H new ATOM 0 HG22 ILE A 72 19.480 17.922 -1.490 1.00 4.21 H new ATOM 0 HG23 ILE A 72 18.166 17.823 -2.685 1.00 4.21 H new ATOM 0 HD11 ILE A 72 15.243 15.270 -1.159 1.00 71.44 H new ATOM 0 HD12 ILE A 72 16.510 15.468 0.075 1.00 71.44 H new ATOM 0 HD13 ILE A 72 16.059 16.840 -0.966 1.00 71.44 H new ATOM 1097 N THR A 73 20.747 13.481 -2.020 1.00 55.21 N ATOM 1098 CA THR A 73 20.959 12.045 -1.888 1.00 14.43 C ATOM 1099 C THR A 73 20.330 11.513 -0.605 1.00 70.32 C ATOM 1100 O THR A 73 19.822 12.279 0.214 1.00 62.01 O ATOM 1101 CB THR A 73 22.459 11.696 -1.894 1.00 52.21 C ATOM 1102 OG1 THR A 73 23.223 12.810 -1.418 1.00 21.40 O ATOM 1103 CG2 THR A 73 22.921 11.319 -3.294 1.00 33.04 C ATOM 0 H THR A 73 21.449 14.055 -1.554 1.00 55.21 H new ATOM 0 HA THR A 73 20.481 11.574 -2.747 1.00 14.43 H new ATOM 0 HB THR A 73 22.614 10.842 -1.235 1.00 52.21 H new ATOM 0 HG1 THR A 73 24.176 12.580 -1.423 1.00 21.40 H new ATOM 0 HG21 THR A 73 23.984 11.077 -3.274 1.00 33.04 H new ATOM 0 HG22 THR A 73 22.358 10.453 -3.642 1.00 33.04 H new ATOM 0 HG23 THR A 73 22.753 12.157 -3.971 1.00 33.04 H new ATOM 1111 N PHE A 74 20.368 10.195 -0.436 1.00 53.22 N ATOM 1112 CA PHE A 74 19.801 9.560 0.748 1.00 60.23 C ATOM 1113 C PHE A 74 20.892 8.900 1.586 1.00 62.02 C ATOM 1114 O PHE A 74 21.122 7.694 1.489 1.00 55.23 O ATOM 1115 CB PHE A 74 18.754 8.520 0.343 1.00 63.22 C ATOM 1116 CG PHE A 74 17.822 8.142 1.458 1.00 23.52 C ATOM 1117 CD1 PHE A 74 18.149 7.121 2.336 1.00 24.30 C ATOM 1118 CD2 PHE A 74 16.619 8.806 1.628 1.00 14.55 C ATOM 1119 CE1 PHE A 74 17.294 6.770 3.364 1.00 42.42 C ATOM 1120 CE2 PHE A 74 15.760 8.461 2.655 1.00 73.14 C ATOM 1121 CZ PHE A 74 16.097 7.441 3.523 1.00 62.25 C ATOM 0 H PHE A 74 20.785 9.547 -1.104 1.00 53.22 H new ATOM 0 HA PHE A 74 19.322 10.332 1.350 1.00 60.23 H new ATOM 0 HB2 PHE A 74 18.170 8.909 -0.491 1.00 63.22 H new ATOM 0 HB3 PHE A 74 19.262 7.624 -0.014 1.00 63.22 H new ATOM 0 HD1 PHE A 74 19.083 6.593 2.216 1.00 24.30 H new ATOM 0 HD2 PHE A 74 16.349 9.603 0.951 1.00 14.55 H new ATOM 0 HE1 PHE A 74 17.561 5.973 4.042 1.00 42.42 H new ATOM 0 HE2 PHE A 74 14.826 8.989 2.778 1.00 73.14 H new ATOM 0 HZ PHE A 74 15.426 7.169 4.324 1.00 62.25 H new ATOM 1289 N ASN A 86 34.349 25.502 8.071 1.00 32.02 N ATOM 1290 CA ASN A 86 33.020 25.983 7.710 1.00 21.15 C ATOM 1291 C ASN A 86 32.107 26.027 8.932 1.00 3.11 C ATOM 1292 O ASN A 86 31.536 25.012 9.329 1.00 51.04 O ATOM 1293 CB ASN A 86 32.406 25.087 6.633 1.00 32.00 C ATOM 1294 CG ASN A 86 33.061 25.279 5.279 1.00 71.11 C ATOM 1295 OD1 ASN A 86 32.576 26.045 4.445 1.00 24.35 O ATOM 1296 ND2 ASN A 86 34.168 24.582 5.053 1.00 25.15 N ATOM 0 HA ASN A 86 33.121 26.995 7.317 1.00 21.15 H new ATOM 0 HB2 ASN A 86 32.501 24.044 6.935 1.00 32.00 H new ATOM 0 HB3 ASN A 86 31.340 25.300 6.551 1.00 32.00 H new ATOM 0 HD21 ASN A 86 34.652 24.669 4.160 1.00 25.15 H new ATOM 0 HD22 ASN A 86 34.534 23.959 5.773 1.00 25.15 H new ATOM 1303 N GLU A 87 31.975 27.211 9.523 1.00 25.52 N ATOM 1304 CA GLU A 87 31.132 27.386 10.700 1.00 42.32 C ATOM 1305 C GLU A 87 29.733 26.829 10.454 1.00 11.33 C ATOM 1306 O GLU A 87 29.202 26.075 11.270 1.00 55.24 O ATOM 1307 CB GLU A 87 31.045 28.867 11.076 1.00 70.04 C ATOM 1308 CG GLU A 87 30.671 29.769 9.912 1.00 41.33 C ATOM 1309 CD GLU A 87 30.827 31.241 10.241 1.00 2.20 C ATOM 1310 OE1 GLU A 87 30.691 31.602 11.429 1.00 64.32 O ATOM 1311 OE2 GLU A 87 31.086 32.033 9.310 1.00 33.40 O ATOM 0 H GLU A 87 32.440 28.062 9.206 1.00 25.52 H new ATOM 0 HA GLU A 87 31.584 26.835 11.525 1.00 42.32 H new ATOM 0 HB2 GLU A 87 30.309 28.989 11.870 1.00 70.04 H new ATOM 0 HB3 GLU A 87 32.005 29.188 11.479 1.00 70.04 H new ATOM 0 HG2 GLU A 87 31.295 29.525 9.053 1.00 41.33 H new ATOM 0 HG3 GLU A 87 29.639 29.573 9.622 1.00 41.33 H new ATOM 1318 N ASP A 88 29.142 27.207 9.326 1.00 30.21 N ATOM 1319 CA ASP A 88 27.805 26.745 8.972 1.00 53.41 C ATOM 1320 C ASP A 88 27.775 25.227 8.824 1.00 40.41 C ATOM 1321 O ASP A 88 26.810 24.573 9.222 1.00 62.15 O ATOM 1322 CB ASP A 88 27.342 27.406 7.672 1.00 14.15 C ATOM 1323 CG ASP A 88 28.480 27.619 6.694 1.00 75.45 C ATOM 1324 OD1 ASP A 88 29.383 26.758 6.638 1.00 4.31 O ATOM 1325 OD2 ASP A 88 28.466 28.645 5.982 1.00 33.41 O ATOM 0 H ASP A 88 29.567 27.832 8.641 1.00 30.21 H new ATOM 0 HA ASP A 88 27.125 27.026 9.776 1.00 53.41 H new ATOM 0 HB2 ASP A 88 26.577 26.786 7.205 1.00 14.15 H new ATOM 0 HB3 ASP A 88 26.879 28.366 7.901 1.00 14.15 H new ATOM 1330 N LEU A 89 28.837 24.673 8.249 1.00 53.41 N ATOM 1331 CA LEU A 89 28.932 23.232 8.047 1.00 24.20 C ATOM 1332 C LEU A 89 28.947 22.495 9.382 1.00 33.34 C ATOM 1333 O LEU A 89 28.412 21.392 9.501 1.00 73.44 O ATOM 1334 CB LEU A 89 30.193 22.891 7.250 1.00 52.20 C ATOM 1335 CG LEU A 89 30.227 21.504 6.609 1.00 72.54 C ATOM 1336 CD1 LEU A 89 29.058 21.329 5.652 1.00 73.12 C ATOM 1337 CD2 LEU A 89 31.548 21.282 5.886 1.00 54.31 C ATOM 0 H LEU A 89 29.644 25.200 7.915 1.00 53.41 H new ATOM 0 HA LEU A 89 28.055 22.910 7.485 1.00 24.20 H new ATOM 0 HB2 LEU A 89 30.314 23.636 6.463 1.00 52.20 H new ATOM 0 HB3 LEU A 89 31.054 22.984 7.912 1.00 52.20 H new ATOM 0 HG LEU A 89 30.138 20.758 7.399 1.00 72.54 H new ATOM 0 HD11 LEU A 89 29.099 20.336 5.205 1.00 73.12 H new ATOM 0 HD12 LEU A 89 28.121 21.443 6.197 1.00 73.12 H new ATOM 0 HD13 LEU A 89 29.115 22.083 4.867 1.00 73.12 H new ATOM 0 HD21 LEU A 89 31.554 20.289 5.436 1.00 54.31 H new ATOM 0 HD22 LEU A 89 31.667 22.035 5.107 1.00 54.31 H new ATOM 0 HD23 LEU A 89 32.370 21.363 6.597 1.00 54.31 H new ATOM 1349 N LEU A 90 29.560 23.112 10.386 1.00 22.21 N ATOM 1350 CA LEU A 90 29.642 22.516 11.715 1.00 23.40 C ATOM 1351 C LEU A 90 28.250 22.254 12.282 1.00 45.25 C ATOM 1352 O LEU A 90 27.963 21.160 12.765 1.00 20.23 O ATOM 1353 CB LEU A 90 30.426 23.430 12.658 1.00 11.13 C ATOM 1354 CG LEU A 90 30.520 22.971 14.114 1.00 53.12 C ATOM 1355 CD1 LEU A 90 31.018 21.536 14.190 1.00 4.40 C ATOM 1356 CD2 LEU A 90 31.430 23.897 14.907 1.00 10.04 C ATOM 0 H LEU A 90 30.008 24.025 10.305 1.00 22.21 H new ATOM 0 HA LEU A 90 30.163 21.563 11.627 1.00 23.40 H new ATOM 0 HB2 LEU A 90 31.437 23.541 12.267 1.00 11.13 H new ATOM 0 HB3 LEU A 90 29.967 24.418 12.639 1.00 11.13 H new ATOM 0 HG LEU A 90 29.523 23.011 14.553 1.00 53.12 H new ATOM 0 HD11 LEU A 90 31.079 21.227 15.233 1.00 4.40 H new ATOM 0 HD12 LEU A 90 30.327 20.882 13.657 1.00 4.40 H new ATOM 0 HD13 LEU A 90 32.006 21.469 13.734 1.00 4.40 H new ATOM 0 HD21 LEU A 90 31.485 23.555 15.941 1.00 10.04 H new ATOM 0 HD22 LEU A 90 32.428 23.890 14.469 1.00 10.04 H new ATOM 0 HD23 LEU A 90 31.030 24.911 14.881 1.00 10.04 H new ATOM 1368 N GLN A 91 27.391 23.266 12.216 1.00 72.34 N ATOM 1369 CA GLN A 91 26.028 23.144 12.721 1.00 65.12 C ATOM 1370 C GLN A 91 25.209 22.194 11.854 1.00 61.15 C ATOM 1371 O GLN A 91 24.380 21.437 12.357 1.00 13.25 O ATOM 1372 CB GLN A 91 25.356 24.517 12.770 1.00 33.22 C ATOM 1373 CG GLN A 91 24.805 24.875 14.141 1.00 1.50 C ATOM 1374 CD GLN A 91 25.832 24.709 15.244 1.00 35.21 C ATOM 1375 OE1 GLN A 91 27.037 24.705 14.991 1.00 14.32 O ATOM 1376 NE2 GLN A 91 25.359 24.570 16.477 1.00 34.21 N ATOM 0 H GLN A 91 27.614 24.178 11.818 1.00 72.34 H new ATOM 0 HA GLN A 91 26.076 22.734 13.730 1.00 65.12 H new ATOM 0 HB2 GLN A 91 26.077 25.276 12.468 1.00 33.22 H new ATOM 0 HB3 GLN A 91 24.544 24.541 12.043 1.00 33.22 H new ATOM 0 HG2 GLN A 91 24.454 25.907 14.129 1.00 1.50 H new ATOM 0 HG3 GLN A 91 23.941 24.247 14.357 1.00 1.50 H new ATOM 0 HE21 GLN A 91 24.352 24.579 16.641 1.00 34.21 H new ATOM 0 HE22 GLN A 91 26.002 24.454 17.260 1.00 34.21 H new ATOM 1385 N ALA A 92 25.447 22.239 10.547 1.00 43.42 N ATOM 1386 CA ALA A 92 24.733 21.382 9.610 1.00 74.42 C ATOM 1387 C ALA A 92 25.006 19.909 9.896 1.00 72.14 C ATOM 1388 O ALA A 92 24.099 19.078 9.842 1.00 74.04 O ATOM 1389 CB ALA A 92 25.121 21.724 8.179 1.00 14.51 C ATOM 0 H ALA A 92 26.130 22.861 10.113 1.00 43.42 H new ATOM 0 HA ALA A 92 23.665 21.559 9.737 1.00 74.42 H new ATOM 0 HB1 ALA A 92 24.580 21.075 7.490 1.00 14.51 H new ATOM 0 HB2 ALA A 92 24.869 22.764 7.972 1.00 14.51 H new ATOM 0 HB3 ALA A 92 26.193 21.578 8.048 1.00 14.51 H new ATOM 1395 N ILE A 93 26.260 19.593 10.199 1.00 62.43 N ATOM 1396 CA ILE A 93 26.652 18.220 10.493 1.00 35.22 C ATOM 1397 C ILE A 93 25.894 17.679 11.701 1.00 12.20 C ATOM 1398 O ILE A 93 25.508 16.511 11.732 1.00 34.32 O ATOM 1399 CB ILE A 93 28.164 18.110 10.759 1.00 5.54 C ATOM 1400 CG1 ILE A 93 28.947 18.281 9.456 1.00 64.11 C ATOM 1401 CG2 ILE A 93 28.493 16.775 11.410 1.00 74.10 C ATOM 1402 CD1 ILE A 93 28.739 17.150 8.473 1.00 32.14 C ATOM 0 H ILE A 93 27.022 20.269 10.247 1.00 62.43 H new ATOM 0 HA ILE A 93 26.403 17.626 9.614 1.00 35.22 H new ATOM 0 HB ILE A 93 28.456 18.907 11.444 1.00 5.54 H new ATOM 0 HG12 ILE A 93 28.653 19.219 8.985 1.00 64.11 H new ATOM 0 HG13 ILE A 93 30.009 18.360 9.688 1.00 64.11 H new ATOM 0 HG21 ILE A 93 29.566 16.713 11.591 1.00 74.10 H new ATOM 0 HG22 ILE A 93 27.960 16.691 12.357 1.00 74.10 H new ATOM 0 HG23 ILE A 93 28.189 15.963 10.749 1.00 74.10 H new ATOM 0 HD11 ILE A 93 29.324 17.338 7.573 1.00 32.14 H new ATOM 0 HD12 ILE A 93 29.060 16.211 8.925 1.00 32.14 H new ATOM 0 HD13 ILE A 93 27.683 17.084 8.212 1.00 32.14 H new ATOM 1414 N ARG A 94 25.683 18.538 12.693 1.00 21.13 N ATOM 1415 CA ARG A 94 24.971 18.147 13.904 1.00 74.13 C ATOM 1416 C ARG A 94 23.501 17.865 13.603 1.00 44.52 C ATOM 1417 O ARG A 94 22.947 16.862 14.050 1.00 2.42 O ATOM 1418 CB ARG A 94 25.084 19.243 14.964 1.00 1.25 C ATOM 1419 CG ARG A 94 26.516 19.551 15.371 1.00 11.23 C ATOM 1420 CD ARG A 94 26.946 18.720 16.570 1.00 73.43 C ATOM 1421 NE ARG A 94 26.983 19.508 17.798 1.00 13.33 N ATOM 1422 CZ ARG A 94 27.945 20.378 18.085 1.00 62.15 C ATOM 1423 NH1 ARG A 94 28.944 20.570 17.234 1.00 24.44 N ATOM 1424 NH2 ARG A 94 27.909 21.058 19.223 1.00 2.32 N ATOM 0 H ARG A 94 25.995 19.509 12.682 1.00 21.13 H new ATOM 0 HA ARG A 94 25.428 17.234 14.285 1.00 74.13 H new ATOM 0 HB2 ARG A 94 24.619 20.153 14.585 1.00 1.25 H new ATOM 0 HB3 ARG A 94 24.521 18.942 15.847 1.00 1.25 H new ATOM 0 HG2 ARG A 94 27.184 19.354 14.532 1.00 11.23 H new ATOM 0 HG3 ARG A 94 26.608 20.611 15.610 1.00 11.23 H new ATOM 0 HD2 ARG A 94 26.258 17.884 16.697 1.00 73.43 H new ATOM 0 HD3 ARG A 94 27.932 18.296 16.382 1.00 73.43 H new ATOM 0 HE ARG A 94 26.229 19.384 18.473 1.00 13.33 H new ATOM 0 HH11 ARG A 94 28.974 20.049 16.357 1.00 24.44 H new ATOM 0 HH12 ARG A 94 29.682 21.238 17.456 1.00 24.44 H new ATOM 0 HH21 ARG A 94 27.142 20.913 19.879 1.00 2.32 H new ATOM 0 HH22 ARG A 94 28.648 21.726 19.442 1.00 2.32 H new ATOM 1438 N ASN A 95 22.877 18.759 12.842 1.00 32.32 N ATOM 1439 CA ASN A 95 21.472 18.607 12.482 1.00 14.14 C ATOM 1440 C ASN A 95 21.240 17.299 11.732 1.00 23.00 C ATOM 1441 O ASN A 95 20.488 16.437 12.185 1.00 70.35 O ATOM 1442 CB ASN A 95 21.013 19.788 11.625 1.00 50.13 C ATOM 1443 CG ASN A 95 21.324 21.125 12.268 1.00 3.53 C ATOM 1444 OD1 ASN A 95 21.916 22.005 11.643 1.00 41.24 O ATOM 1445 ND2 ASN A 95 20.926 21.284 13.525 1.00 1.01 N ATOM 0 H ASN A 95 23.322 19.595 12.463 1.00 32.32 H new ATOM 0 HA ASN A 95 20.888 18.585 13.402 1.00 14.14 H new ATOM 0 HB2 ASN A 95 21.497 19.736 10.650 1.00 50.13 H new ATOM 0 HB3 ASN A 95 19.939 19.712 11.452 1.00 50.13 H new ATOM 0 HD21 ASN A 95 21.108 22.162 14.010 1.00 1.01 H new ATOM 0 HD22 ASN A 95 20.438 20.528 14.005 1.00 1.01 H new ATOM 1452 N ALA A 96 21.893 17.159 10.583 1.00 62.01 N ATOM 1453 CA ALA A 96 21.761 15.956 9.771 1.00 21.30 C ATOM 1454 C ALA A 96 21.928 14.700 10.620 1.00 64.34 C ATOM 1455 O ALA A 96 21.319 13.667 10.342 1.00 10.44 O ATOM 1456 CB ALA A 96 22.777 15.969 8.638 1.00 21.05 C ATOM 0 H ALA A 96 22.519 17.864 10.194 1.00 62.01 H new ATOM 0 HA ALA A 96 20.758 15.944 9.344 1.00 21.30 H new ATOM 0 HB1 ALA A 96 22.667 15.064 8.040 1.00 21.05 H new ATOM 0 HB2 ALA A 96 22.609 16.843 8.009 1.00 21.05 H new ATOM 0 HB3 ALA A 96 23.784 16.009 9.053 1.00 21.05 H new ATOM 1462 N GLU A 97 22.759 14.796 11.653 1.00 34.24 N ATOM 1463 CA GLU A 97 23.006 13.666 12.541 1.00 64.42 C ATOM 1464 C GLU A 97 21.792 13.390 13.422 1.00 33.44 C ATOM 1465 O GLU A 97 21.415 12.237 13.634 1.00 41.41 O ATOM 1466 CB GLU A 97 24.234 13.934 13.414 1.00 32.22 C ATOM 1467 CG GLU A 97 24.397 12.944 14.556 1.00 55.33 C ATOM 1468 CD GLU A 97 25.676 13.163 15.339 1.00 22.13 C ATOM 1469 OE1 GLU A 97 26.738 12.687 14.887 1.00 22.20 O ATOM 1470 OE2 GLU A 97 25.615 13.811 16.405 1.00 30.13 O ATOM 0 H GLU A 97 23.272 15.644 11.895 1.00 34.24 H new ATOM 0 HA GLU A 97 23.192 12.787 11.925 1.00 64.42 H new ATOM 0 HB2 GLU A 97 25.127 13.905 12.789 1.00 32.22 H new ATOM 0 HB3 GLU A 97 24.165 14.941 13.825 1.00 32.22 H new ATOM 0 HG2 GLU A 97 23.544 13.028 15.229 1.00 55.33 H new ATOM 0 HG3 GLU A 97 24.389 11.930 14.157 1.00 55.33 H new ATOM 1477 N GLU A 98 21.184 14.456 13.934 1.00 65.12 N ATOM 1478 CA GLU A 98 20.014 14.328 14.794 1.00 54.24 C ATOM 1479 C GLU A 98 18.811 13.822 14.003 1.00 73.21 C ATOM 1480 O GLU A 98 17.977 13.083 14.527 1.00 73.15 O ATOM 1481 CB GLU A 98 19.681 15.673 15.443 1.00 3.12 C ATOM 1482 CG GLU A 98 18.564 16.428 14.743 1.00 35.41 C ATOM 1483 CD GLU A 98 18.395 17.840 15.268 1.00 32.04 C ATOM 1484 OE1 GLU A 98 17.820 18.001 16.365 1.00 20.02 O ATOM 1485 OE2 GLU A 98 18.838 18.784 14.582 1.00 2.50 O ATOM 0 H GLU A 98 21.483 15.417 13.768 1.00 65.12 H new ATOM 0 HA GLU A 98 20.246 13.603 15.574 1.00 54.24 H new ATOM 0 HB2 GLU A 98 19.399 15.505 16.482 1.00 3.12 H new ATOM 0 HB3 GLU A 98 20.577 16.294 15.453 1.00 3.12 H new ATOM 0 HG2 GLU A 98 18.770 16.465 13.673 1.00 35.41 H new ATOM 0 HG3 GLU A 98 17.628 15.883 14.869 1.00 35.41 H new ATOM 1492 N ASP A 99 18.728 14.225 12.740 1.00 41.20 N ATOM 1493 CA ASP A 99 17.628 13.813 11.876 1.00 62.21 C ATOM 1494 C ASP A 99 17.909 12.449 11.253 1.00 73.13 C ATOM 1495 O ASP A 99 18.639 12.343 10.267 1.00 73.21 O ATOM 1496 CB ASP A 99 17.397 14.852 10.777 1.00 23.53 C ATOM 1497 CG ASP A 99 16.460 15.960 11.216 1.00 64.30 C ATOM 1498 OD1 ASP A 99 16.393 16.232 12.433 1.00 44.44 O ATOM 1499 OD2 ASP A 99 15.794 16.554 10.343 1.00 75.22 O ATOM 0 H ASP A 99 19.410 14.837 12.291 1.00 41.20 H new ATOM 0 HA ASP A 99 16.728 13.736 12.486 1.00 62.21 H new ATOM 0 HB2 ASP A 99 18.353 15.284 10.483 1.00 23.53 H new ATOM 0 HB3 ASP A 99 16.985 14.360 9.896 1.00 23.53 H new ATOM 1504 N LYS A 100 17.325 11.407 11.835 1.00 60.22 N ATOM 1505 CA LYS A 100 17.511 10.049 11.338 1.00 60.23 C ATOM 1506 C LYS A 100 16.210 9.257 11.418 1.00 53.01 C ATOM 1507 O LYS A 100 16.189 8.129 11.908 1.00 61.41 O ATOM 1508 CB LYS A 100 18.604 9.336 12.138 1.00 40.25 C ATOM 1509 CG LYS A 100 20.012 9.762 11.758 1.00 55.44 C ATOM 1510 CD LYS A 100 21.038 8.717 12.159 1.00 63.41 C ATOM 1511 CE LYS A 100 21.405 8.831 13.631 1.00 53.34 C ATOM 1512 NZ LYS A 100 22.874 8.974 13.827 1.00 71.40 N ATOM 0 H LYS A 100 16.718 11.477 12.652 1.00 60.22 H new ATOM 0 HA LYS A 100 17.815 10.110 10.293 1.00 60.23 H new ATOM 0 HB2 LYS A 100 18.449 9.528 13.200 1.00 40.25 H new ATOM 0 HB3 LYS A 100 18.507 8.260 11.991 1.00 40.25 H new ATOM 0 HG2 LYS A 100 20.064 9.930 10.682 1.00 55.44 H new ATOM 0 HG3 LYS A 100 20.249 10.710 12.241 1.00 55.44 H new ATOM 0 HD2 LYS A 100 20.642 7.721 11.958 1.00 63.41 H new ATOM 0 HD3 LYS A 100 21.934 8.833 11.550 1.00 63.41 H new ATOM 0 HE2 LYS A 100 20.895 9.690 14.067 1.00 53.34 H new ATOM 0 HE3 LYS A 100 21.052 7.947 14.163 1.00 53.34 H new ATOM 0 HZ1 LYS A 100 23.083 9.049 14.843 1.00 71.40 H new ATOM 0 HZ2 LYS A 100 23.359 8.142 13.434 1.00 71.40 H new ATOM 0 HZ3 LYS A 100 23.207 9.831 13.341 1.00 71.40 H new ATOM 1526 N GLU A 101 15.127 9.856 10.932 1.00 31.01 N ATOM 1527 CA GLU A 101 13.822 9.205 10.949 1.00 62.10 C ATOM 1528 C GLU A 101 13.442 8.786 12.366 1.00 34.20 C ATOM 1529 O GLU A 101 12.660 7.855 12.561 1.00 63.23 O ATOM 1530 CB GLU A 101 13.825 7.983 10.028 1.00 41.45 C ATOM 1531 CG GLU A 101 12.435 7.466 9.698 1.00 51.42 C ATOM 1532 CD GLU A 101 12.310 5.967 9.886 1.00 22.13 C ATOM 1533 OE1 GLU A 101 13.220 5.235 9.444 1.00 3.14 O ATOM 1534 OE2 GLU A 101 11.302 5.526 10.476 1.00 32.34 O ATOM 0 H GLU A 101 15.127 10.790 10.522 1.00 31.01 H new ATOM 0 HA GLU A 101 13.083 9.921 10.589 1.00 62.10 H new ATOM 0 HB2 GLU A 101 14.338 8.239 9.101 1.00 41.45 H new ATOM 0 HB3 GLU A 101 14.398 7.185 10.500 1.00 41.45 H new ATOM 0 HG2 GLU A 101 11.704 7.970 10.331 1.00 51.42 H new ATOM 0 HG3 GLU A 101 12.192 7.720 8.666 1.00 51.42 H new ATOM 1541 N SER A 102 14.000 9.480 13.352 1.00 24.03 N ATOM 1542 CA SER A 102 13.724 9.178 14.752 1.00 72.12 C ATOM 1543 C SER A 102 14.209 10.306 15.657 1.00 13.02 C ATOM 1544 O SER A 102 14.792 10.062 16.712 1.00 5.33 O ATOM 1545 CB SER A 102 14.394 7.862 15.154 1.00 53.54 C ATOM 1546 OG SER A 102 13.816 7.336 16.336 1.00 73.05 O ATOM 0 H SER A 102 14.646 10.256 13.208 1.00 24.03 H new ATOM 0 HA SER A 102 12.645 9.079 14.871 1.00 72.12 H new ATOM 0 HB2 SER A 102 14.296 7.138 14.345 1.00 53.54 H new ATOM 0 HB3 SER A 102 15.461 8.026 15.309 1.00 53.54 H new ATOM 0 HG SER A 102 13.850 8.011 17.045 1.00 73.05 H new ATOM 1552 N ASN A 103 13.962 11.542 15.236 1.00 52.13 N ATOM 1553 CA ASN A 103 14.373 12.709 16.007 1.00 4.24 C ATOM 1554 C ASN A 103 13.380 12.998 17.129 1.00 62.40 C ATOM 1555 O ASN A 103 12.169 12.891 16.942 1.00 54.35 O ATOM 1556 CB ASN A 103 14.499 13.931 15.095 1.00 13.33 C ATOM 1557 CG ASN A 103 15.442 14.978 15.657 1.00 35.21 C ATOM 1558 OD1 ASN A 103 16.381 14.656 16.385 1.00 14.45 O ATOM 1559 ND2 ASN A 103 15.194 16.238 15.320 1.00 4.33 N ATOM 0 H ASN A 103 13.479 11.761 14.365 1.00 52.13 H new ATOM 0 HA ASN A 103 15.345 12.495 16.452 1.00 4.24 H new ATOM 0 HB2 ASN A 103 14.855 13.614 14.115 1.00 13.33 H new ATOM 0 HB3 ASN A 103 13.514 14.374 14.948 1.00 13.33 H new ATOM 0 HD21 ASN A 103 15.794 16.986 15.667 1.00 4.33 H new ATOM 0 HD22 ASN A 103 14.404 16.458 14.714 1.00 4.33 H new