USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 644 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 67 THR OG1 : rot 110:sc= -0.338 USER MOD Set 1.2: A 69 ASN : amide:sc= -4.11! C(o=-4.5!,f=-5.5!) USER MOD Set 2.1: A 48 SER OG : rot -125:sc= 0.331 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= -0.848 USER MOD Set 3.1: A 37 SER OG : rot 160:sc= 1.01 USER MOD Set 3.2: A 40 THR OG1 : rot 179:sc= 0.0864 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.0154 (180deg=-0.443) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 43:sc= 1.18 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.226 K(o=-0.23,f=-4.7!) USER MOD Single : A 24 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.041) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 40:sc= 0.587 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.25! C(o=-2.3!,f=-2.4!) USER MOD Single : A 35 SER OG : rot -41:sc= -0.131! USER MOD Single : A 36 ASN : amide:sc= -0.0554 K(o=-0.055,f=-0.68) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -130:sc= -1.05 USER MOD Single : A 49 ASN : amide:sc= -0.0705 K(o=-0.07,f=-1.5) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.83 K(o=-3.8,f=-7.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 136:sc= 0.967 USER MOD Single : A 62 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.225 (180deg=-0.225) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 78 SER OG : rot 180:sc= -0.787 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 82:sc= 0.741 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.138 1.239 2.044 1.00 65.44 N ATOM 2 CA MET A 1 0.778 1.308 0.735 1.00 52.13 C ATOM 3 C MET A 1 2.210 0.786 0.801 1.00 55.14 C ATOM 4 O MET A 1 2.838 0.759 1.859 1.00 12.21 O ATOM 5 CB MET A 1 0.771 2.747 0.216 1.00 54.33 C ATOM 6 CG MET A 1 1.105 3.779 1.281 1.00 52.13 C ATOM 7 SD MET A 1 1.963 5.216 0.610 1.00 3.05 S ATOM 8 CE MET A 1 3.305 5.387 1.785 1.00 62.25 C ATOM 0 H1 MET A 1 -0.623 1.946 2.096 1.00 65.44 H new ATOM 0 H2 MET A 1 -0.262 0.289 2.185 1.00 65.44 H new ATOM 0 H3 MET A 1 0.842 1.432 2.785 1.00 65.44 H new ATOM 0 HA MET A 1 0.212 0.678 0.048 1.00 52.13 H new ATOM 0 HB2 MET A 1 1.489 2.834 -0.600 1.00 54.33 H new ATOM 0 HB3 MET A 1 -0.212 2.970 -0.199 1.00 54.33 H new ATOM 0 HG2 MET A 1 0.185 4.104 1.768 1.00 52.13 H new ATOM 0 HG3 MET A 1 1.725 3.316 2.048 1.00 52.13 H new ATOM 0 HE1 MET A 1 3.928 6.237 1.505 1.00 62.25 H new ATOM 0 HE2 MET A 1 2.897 5.549 2.783 1.00 62.25 H new ATOM 0 HE3 MET A 1 3.908 4.479 1.783 1.00 62.25 H new ATOM 18 N PRO A 2 2.739 0.361 -0.356 1.00 22.20 N ATOM 19 CA PRO A 2 4.103 -0.168 -0.455 1.00 51.11 C ATOM 20 C PRO A 2 5.160 0.913 -0.255 1.00 53.14 C ATOM 21 O PRO A 2 4.882 2.102 -0.410 1.00 61.25 O ATOM 22 CB PRO A 2 4.166 -0.721 -1.881 1.00 42.31 C ATOM 23 CG PRO A 2 3.147 0.061 -2.636 1.00 45.41 C ATOM 24 CD PRO A 2 2.048 0.364 -1.656 1.00 72.11 C ATOM 0 HA PRO A 2 4.309 -0.912 0.315 1.00 51.11 H new ATOM 0 HB2 PRO A 2 5.160 -0.595 -2.311 1.00 42.31 H new ATOM 0 HB3 PRO A 2 3.942 -1.788 -1.902 1.00 42.31 H new ATOM 0 HG2 PRO A 2 3.577 0.979 -3.036 1.00 45.41 H new ATOM 0 HG3 PRO A 2 2.767 -0.509 -3.484 1.00 45.41 H new ATOM 0 HD2 PRO A 2 1.582 1.328 -1.861 1.00 72.11 H new ATOM 0 HD3 PRO A 2 1.258 -0.387 -1.693 1.00 72.11 H new ATOM 32 N ALA A 3 6.372 0.492 0.089 1.00 43.10 N ATOM 33 CA ALA A 3 7.471 1.425 0.307 1.00 22.42 C ATOM 34 C ALA A 3 8.816 0.707 0.269 1.00 60.21 C ATOM 35 O ALA A 3 8.941 -0.422 0.742 1.00 24.15 O ATOM 36 CB ALA A 3 7.294 2.148 1.634 1.00 22.53 C ATOM 0 H ALA A 3 6.618 -0.489 0.223 1.00 43.10 H new ATOM 0 HA ALA A 3 7.457 2.159 -0.499 1.00 22.42 H new ATOM 0 HB1 ALA A 3 8.122 2.841 1.784 1.00 22.53 H new ATOM 0 HB2 ALA A 3 6.355 2.701 1.625 1.00 22.53 H new ATOM 0 HB3 ALA A 3 7.279 1.420 2.446 1.00 22.53 H new ATOM 42 N ALA A 4 9.819 1.369 -0.299 1.00 30.15 N ATOM 43 CA ALA A 4 11.155 0.794 -0.397 1.00 52.13 C ATOM 44 C ALA A 4 12.157 1.589 0.432 1.00 3.24 C ATOM 45 O ALA A 4 12.246 2.812 0.314 1.00 53.03 O ATOM 46 CB ALA A 4 11.598 0.736 -1.852 1.00 4.54 C ATOM 0 H ALA A 4 9.732 2.304 -0.698 1.00 30.15 H new ATOM 0 HA ALA A 4 11.118 -0.220 0.001 1.00 52.13 H new ATOM 0 HB1 ALA A 4 12.597 0.305 -1.911 1.00 4.54 H new ATOM 0 HB2 ALA A 4 10.902 0.119 -2.420 1.00 4.54 H new ATOM 0 HB3 ALA A 4 11.612 1.743 -2.268 1.00 4.54 H new ATOM 52 N LEU A 5 12.910 0.888 1.273 1.00 43.32 N ATOM 53 CA LEU A 5 13.907 1.529 2.124 1.00 40.24 C ATOM 54 C LEU A 5 14.853 0.496 2.727 1.00 2.20 C ATOM 55 O LEU A 5 14.967 0.381 3.947 1.00 32.14 O ATOM 56 CB LEU A 5 13.221 2.322 3.238 1.00 64.12 C ATOM 57 CG LEU A 5 14.007 3.508 3.799 1.00 30.53 C ATOM 58 CD1 LEU A 5 13.678 4.778 3.031 1.00 35.00 C ATOM 59 CD2 LEU A 5 13.714 3.687 5.282 1.00 41.43 C ATOM 0 H LEU A 5 12.849 -0.124 1.384 1.00 43.32 H new ATOM 0 HA LEU A 5 14.491 2.212 1.507 1.00 40.24 H new ATOM 0 HB2 LEU A 5 12.267 2.690 2.860 1.00 64.12 H new ATOM 0 HB3 LEU A 5 12.997 1.639 4.058 1.00 64.12 H new ATOM 0 HG LEU A 5 15.071 3.303 3.681 1.00 30.53 H new ATOM 0 HD11 LEU A 5 14.247 5.611 3.445 1.00 35.00 H new ATOM 0 HD12 LEU A 5 13.939 4.646 1.981 1.00 35.00 H new ATOM 0 HD13 LEU A 5 12.612 4.989 3.116 1.00 35.00 H new ATOM 0 HD21 LEU A 5 14.281 4.535 5.665 1.00 41.43 H new ATOM 0 HD22 LEU A 5 12.649 3.870 5.423 1.00 41.43 H new ATOM 0 HD23 LEU A 5 14.002 2.785 5.821 1.00 41.43 H new ATOM 71 N VAL A 6 15.533 -0.252 1.864 1.00 74.24 N ATOM 72 CA VAL A 6 16.472 -1.274 2.311 1.00 10.41 C ATOM 73 C VAL A 6 17.427 -0.719 3.362 1.00 62.11 C ATOM 74 O VAL A 6 18.368 0.006 3.039 1.00 24.34 O ATOM 75 CB VAL A 6 17.291 -1.837 1.135 1.00 42.34 C ATOM 76 CG1 VAL A 6 17.901 -0.707 0.319 1.00 54.32 C ATOM 77 CG2 VAL A 6 18.370 -2.782 1.641 1.00 3.43 C ATOM 0 H VAL A 6 15.451 -0.169 0.851 1.00 74.24 H new ATOM 0 HA VAL A 6 15.881 -2.078 2.749 1.00 10.41 H new ATOM 0 HB VAL A 6 16.621 -2.401 0.486 1.00 42.34 H new ATOM 0 HG11 VAL A 6 18.476 -1.124 -0.508 1.00 54.32 H new ATOM 0 HG12 VAL A 6 17.107 -0.073 -0.075 1.00 54.32 H new ATOM 0 HG13 VAL A 6 18.558 -0.113 0.954 1.00 54.32 H new ATOM 0 HG21 VAL A 6 18.939 -3.170 0.796 1.00 3.43 H new ATOM 0 HG22 VAL A 6 19.039 -2.244 2.313 1.00 3.43 H new ATOM 0 HG23 VAL A 6 17.906 -3.610 2.177 1.00 3.43 H new ATOM 87 N SER A 7 17.179 -1.065 4.621 1.00 72.30 N ATOM 88 CA SER A 7 18.015 -0.600 5.721 1.00 1.40 C ATOM 89 C SER A 7 18.794 -1.757 6.339 1.00 40.20 C ATOM 90 O SER A 7 18.214 -2.768 6.735 1.00 31.21 O ATOM 91 CB SER A 7 17.157 0.081 6.789 1.00 31.44 C ATOM 92 OG SER A 7 16.977 1.456 6.500 1.00 43.13 O ATOM 0 H SER A 7 16.405 -1.666 4.905 1.00 72.30 H new ATOM 0 HA SER A 7 18.728 0.122 5.323 1.00 1.40 H new ATOM 0 HB2 SER A 7 16.186 -0.411 6.848 1.00 31.44 H new ATOM 0 HB3 SER A 7 17.630 -0.030 7.765 1.00 31.44 H new ATOM 0 HG SER A 7 16.424 1.867 7.197 1.00 43.13 H new ATOM 98 N ILE A 8 20.111 -1.600 6.418 1.00 41.05 N ATOM 99 CA ILE A 8 20.970 -2.630 6.988 1.00 71.42 C ATOM 100 C ILE A 8 21.673 -2.127 8.244 1.00 41.23 C ATOM 101 O ILE A 8 22.086 -0.969 8.315 1.00 73.33 O ATOM 102 CB ILE A 8 22.029 -3.104 5.975 1.00 20.52 C ATOM 103 CG1 ILE A 8 23.155 -2.075 5.863 1.00 65.23 C ATOM 104 CG2 ILE A 8 21.390 -3.349 4.616 1.00 23.33 C ATOM 105 CD1 ILE A 8 24.357 -2.398 6.723 1.00 10.12 C ATOM 0 H ILE A 8 20.606 -0.769 6.094 1.00 41.05 H new ATOM 0 HA ILE A 8 20.326 -3.470 7.247 1.00 71.42 H new ATOM 0 HB ILE A 8 22.454 -4.043 6.329 1.00 20.52 H new ATOM 0 HG12 ILE A 8 23.471 -2.006 4.822 1.00 65.23 H new ATOM 0 HG13 ILE A 8 22.770 -1.095 6.145 1.00 65.23 H new ATOM 0 HG21 ILE A 8 22.151 -3.683 3.911 1.00 23.33 H new ATOM 0 HG22 ILE A 8 20.620 -4.115 4.709 1.00 23.33 H new ATOM 0 HG23 ILE A 8 20.941 -2.425 4.253 1.00 23.33 H new ATOM 0 HD11 ILE A 8 25.115 -1.626 6.593 1.00 10.12 H new ATOM 0 HD12 ILE A 8 24.055 -2.438 7.770 1.00 10.12 H new ATOM 0 HD13 ILE A 8 24.768 -3.363 6.427 1.00 10.12 H new ATOM 117 N SER A 9 21.808 -3.005 9.232 1.00 12.04 N ATOM 118 CA SER A 9 22.460 -2.649 10.487 1.00 32.33 C ATOM 119 C SER A 9 23.733 -3.465 10.688 1.00 30.54 C ATOM 120 O SER A 9 23.679 -4.667 10.949 1.00 61.52 O ATOM 121 CB SER A 9 21.506 -2.872 11.663 1.00 65.21 C ATOM 122 OG SER A 9 21.433 -1.721 12.485 1.00 11.53 O ATOM 0 H SER A 9 21.475 -3.968 9.188 1.00 12.04 H new ATOM 0 HA SER A 9 22.729 -1.594 10.442 1.00 32.33 H new ATOM 0 HB2 SER A 9 20.513 -3.119 11.288 1.00 65.21 H new ATOM 0 HB3 SER A 9 21.844 -3.724 12.253 1.00 65.21 H new ATOM 0 HG SER A 9 20.816 -1.888 13.228 1.00 11.53 H new ATOM 128 N VAL A 10 24.879 -2.803 10.565 1.00 12.24 N ATOM 129 CA VAL A 10 26.167 -3.465 10.734 1.00 13.04 C ATOM 130 C VAL A 10 26.783 -3.132 12.089 1.00 55.34 C ATOM 131 O VAL A 10 26.788 -1.976 12.512 1.00 10.21 O ATOM 132 CB VAL A 10 27.154 -3.065 9.622 1.00 73.14 C ATOM 133 CG1 VAL A 10 27.443 -1.573 9.675 1.00 2.23 C ATOM 134 CG2 VAL A 10 28.439 -3.870 9.736 1.00 62.45 C ATOM 0 H VAL A 10 24.942 -1.808 10.349 1.00 12.24 H new ATOM 0 HA VAL A 10 25.981 -4.537 10.676 1.00 13.04 H new ATOM 0 HB VAL A 10 26.697 -3.288 8.658 1.00 73.14 H new ATOM 0 HG11 VAL A 10 28.142 -1.309 8.882 1.00 2.23 H new ATOM 0 HG12 VAL A 10 26.515 -1.018 9.540 1.00 2.23 H new ATOM 0 HG13 VAL A 10 27.879 -1.321 10.642 1.00 2.23 H new ATOM 0 HG21 VAL A 10 29.125 -3.574 8.942 1.00 62.45 H new ATOM 0 HG22 VAL A 10 28.902 -3.681 10.705 1.00 62.45 H new ATOM 0 HG23 VAL A 10 28.212 -4.932 9.643 1.00 62.45 H new ATOM 144 N SER A 11 27.301 -4.152 12.764 1.00 63.20 N ATOM 145 CA SER A 11 27.917 -3.969 14.073 1.00 44.52 C ATOM 146 C SER A 11 29.418 -4.239 14.010 1.00 54.22 C ATOM 147 O SER A 11 29.912 -5.257 14.494 1.00 73.54 O ATOM 148 CB SER A 11 27.264 -4.893 15.102 1.00 51.01 C ATOM 149 OG SER A 11 25.888 -4.591 15.258 1.00 61.14 O ATOM 0 H SER A 11 27.307 -5.114 12.426 1.00 63.20 H new ATOM 0 HA SER A 11 27.764 -2.933 14.377 1.00 44.52 H new ATOM 0 HB2 SER A 11 27.379 -5.931 14.788 1.00 51.01 H new ATOM 0 HB3 SER A 11 27.773 -4.792 16.061 1.00 51.01 H new ATOM 0 HG SER A 11 25.493 -5.197 15.920 1.00 61.14 H new ATOM 155 N PRO A 12 30.161 -3.305 13.399 1.00 41.43 N ATOM 156 CA PRO A 12 31.616 -3.418 13.258 1.00 72.15 C ATOM 157 C PRO A 12 32.341 -3.264 14.590 1.00 63.11 C ATOM 158 O PRO A 12 31.852 -2.596 15.502 1.00 23.50 O ATOM 159 CB PRO A 12 31.972 -2.263 12.318 1.00 22.40 C ATOM 160 CG PRO A 12 30.881 -1.268 12.511 1.00 52.35 C ATOM 161 CD PRO A 12 29.639 -2.065 12.799 1.00 20.10 C ATOM 0 HA PRO A 12 31.915 -4.397 12.884 1.00 72.15 H new ATOM 0 HB2 PRO A 12 32.945 -1.837 12.565 1.00 22.40 H new ATOM 0 HB3 PRO A 12 32.024 -2.597 11.282 1.00 22.40 H new ATOM 0 HG2 PRO A 12 31.111 -0.592 13.335 1.00 52.35 H new ATOM 0 HG3 PRO A 12 30.752 -0.653 11.620 1.00 52.35 H new ATOM 0 HD2 PRO A 12 28.973 -1.538 13.482 1.00 20.10 H new ATOM 0 HD3 PRO A 12 29.071 -2.266 11.891 1.00 20.10 H new ATOM 169 N THR A 13 33.512 -3.886 14.697 1.00 53.44 N ATOM 170 CA THR A 13 34.304 -3.818 15.918 1.00 64.13 C ATOM 171 C THR A 13 35.637 -3.120 15.671 1.00 53.15 C ATOM 172 O THR A 13 36.492 -3.632 14.950 1.00 50.13 O ATOM 173 CB THR A 13 34.572 -5.222 16.492 1.00 63.11 C ATOM 174 OG1 THR A 13 33.361 -5.986 16.504 1.00 0.32 O ATOM 175 CG2 THR A 13 35.135 -5.132 17.902 1.00 1.43 C ATOM 0 H THR A 13 33.932 -4.442 13.952 1.00 53.44 H new ATOM 0 HA THR A 13 33.724 -3.243 16.639 1.00 64.13 H new ATOM 0 HB THR A 13 35.306 -5.716 15.856 1.00 63.11 H new ATOM 0 HG1 THR A 13 33.540 -6.878 16.869 1.00 0.32 H new ATOM 0 HG21 THR A 13 35.316 -6.136 18.286 1.00 1.43 H new ATOM 0 HG22 THR A 13 36.072 -4.576 17.885 1.00 1.43 H new ATOM 0 HG23 THR A 13 34.421 -4.620 18.547 1.00 1.43 H new ATOM 183 N ASN A 14 35.806 -1.948 16.274 1.00 42.21 N ATOM 184 CA ASN A 14 37.036 -1.179 16.119 1.00 72.12 C ATOM 185 C ASN A 14 38.017 -1.489 17.246 1.00 52.24 C ATOM 186 O ASN A 14 37.880 -0.981 18.359 1.00 70.24 O ATOM 187 CB ASN A 14 36.726 0.319 16.095 1.00 72.01 C ATOM 188 CG ASN A 14 35.914 0.761 17.297 1.00 31.42 C ATOM 189 OD1 ASN A 14 36.466 1.214 18.300 1.00 15.20 O ATOM 190 ND2 ASN A 14 34.596 0.629 17.202 1.00 51.35 N ATOM 0 H ASN A 14 35.107 -1.510 16.874 1.00 42.21 H new ATOM 0 HA ASN A 14 37.496 -1.463 15.172 1.00 72.12 H new ATOM 0 HB2 ASN A 14 37.660 0.880 16.065 1.00 72.01 H new ATOM 0 HB3 ASN A 14 36.180 0.560 15.183 1.00 72.01 H new ATOM 0 HD21 ASN A 14 33.998 0.908 17.980 1.00 51.35 H new ATOM 0 HD22 ASN A 14 34.182 0.249 16.351 1.00 51.35 H new ATOM 197 N SER A 15 39.006 -2.325 16.948 1.00 4.11 N ATOM 198 CA SER A 15 40.009 -2.705 17.936 1.00 31.14 C ATOM 199 C SER A 15 41.176 -3.432 17.275 1.00 73.13 C ATOM 200 O SER A 15 41.285 -3.469 16.049 1.00 63.24 O ATOM 201 CB SER A 15 39.383 -3.595 19.012 1.00 2.34 C ATOM 202 OG SER A 15 39.756 -3.164 20.310 1.00 21.51 O ATOM 0 H SER A 15 39.134 -2.752 16.031 1.00 4.11 H new ATOM 0 HA SER A 15 40.388 -1.795 18.401 1.00 31.14 H new ATOM 0 HB2 SER A 15 38.297 -3.577 18.917 1.00 2.34 H new ATOM 0 HB3 SER A 15 39.699 -4.628 18.863 1.00 2.34 H new ATOM 0 HG SER A 15 39.342 -3.747 20.980 1.00 21.51 H new ATOM 208 N THR A 16 42.047 -4.010 18.096 1.00 70.11 N ATOM 209 CA THR A 16 43.207 -4.735 17.592 1.00 34.25 C ATOM 210 C THR A 16 43.002 -6.242 17.699 1.00 54.01 C ATOM 211 O THR A 16 42.273 -6.720 18.568 1.00 14.33 O ATOM 212 CB THR A 16 44.487 -4.348 18.356 1.00 13.55 C ATOM 213 OG1 THR A 16 45.604 -5.084 17.846 1.00 33.24 O ATOM 214 CG2 THR A 16 44.331 -4.618 19.845 1.00 24.33 C ATOM 0 H THR A 16 41.971 -3.990 19.113 1.00 70.11 H new ATOM 0 HA THR A 16 43.321 -4.459 16.544 1.00 34.25 H new ATOM 0 HB THR A 16 44.661 -3.281 18.213 1.00 13.55 H new ATOM 0 HG1 THR A 16 45.560 -5.108 16.867 1.00 33.24 H new ATOM 0 HG21 THR A 16 45.248 -4.337 20.364 1.00 24.33 H new ATOM 0 HG22 THR A 16 43.499 -4.033 20.236 1.00 24.33 H new ATOM 0 HG23 THR A 16 44.135 -5.678 20.004 1.00 24.33 H new ATOM 222 N VAL A 17 43.650 -6.987 16.809 1.00 31.12 N ATOM 223 CA VAL A 17 43.540 -8.441 16.804 1.00 10.04 C ATOM 224 C VAL A 17 44.906 -9.095 16.628 1.00 11.24 C ATOM 225 O VAL A 17 45.824 -8.497 16.068 1.00 51.11 O ATOM 226 CB VAL A 17 42.601 -8.929 15.685 1.00 23.22 C ATOM 227 CG1 VAL A 17 43.231 -8.697 14.320 1.00 25.24 C ATOM 228 CG2 VAL A 17 42.259 -10.398 15.881 1.00 72.43 C ATOM 0 H VAL A 17 44.257 -6.608 16.082 1.00 31.12 H new ATOM 0 HA VAL A 17 43.124 -8.730 17.769 1.00 10.04 H new ATOM 0 HB VAL A 17 41.676 -8.354 15.734 1.00 23.22 H new ATOM 0 HG11 VAL A 17 42.553 -9.048 13.542 1.00 25.24 H new ATOM 0 HG12 VAL A 17 43.421 -7.632 14.183 1.00 25.24 H new ATOM 0 HG13 VAL A 17 44.172 -9.244 14.256 1.00 25.24 H new ATOM 0 HG21 VAL A 17 41.595 -10.727 15.082 1.00 72.43 H new ATOM 0 HG22 VAL A 17 43.174 -10.991 15.859 1.00 72.43 H new ATOM 0 HG23 VAL A 17 41.763 -10.531 16.843 1.00 72.43 H new ATOM 238 N ALA A 18 45.033 -10.327 17.111 1.00 53.33 N ATOM 239 CA ALA A 18 46.286 -11.063 17.004 1.00 31.45 C ATOM 240 C ALA A 18 46.565 -11.466 15.560 1.00 23.15 C ATOM 241 O ALA A 18 45.652 -11.829 14.818 1.00 4.22 O ATOM 242 CB ALA A 18 46.253 -12.293 17.900 1.00 0.34 C ATOM 0 H ALA A 18 44.283 -10.836 17.580 1.00 53.33 H new ATOM 0 HA ALA A 18 47.093 -10.408 17.333 1.00 31.45 H new ATOM 0 HB1 ALA A 18 47.195 -12.834 17.810 1.00 0.34 H new ATOM 0 HB2 ALA A 18 46.108 -11.985 18.936 1.00 0.34 H new ATOM 0 HB3 ALA A 18 45.432 -12.942 17.597 1.00 0.34 H new ATOM 248 N LYS A 19 47.833 -11.399 15.167 1.00 33.52 N ATOM 249 CA LYS A 19 48.234 -11.758 13.812 1.00 54.42 C ATOM 250 C LYS A 19 47.703 -13.137 13.434 1.00 50.20 C ATOM 251 O LYS A 19 47.684 -14.052 14.256 1.00 0.10 O ATOM 252 CB LYS A 19 49.759 -11.734 13.686 1.00 34.10 C ATOM 253 CG LYS A 19 50.269 -12.296 12.370 1.00 0.43 C ATOM 254 CD LYS A 19 51.788 -12.306 12.320 1.00 33.02 C ATOM 255 CE LYS A 19 52.337 -13.724 12.364 1.00 41.41 C ATOM 256 NZ LYS A 19 53.777 -13.772 11.988 1.00 62.21 N ATOM 0 H LYS A 19 48.601 -11.099 15.768 1.00 33.52 H new ATOM 0 HA LYS A 19 47.808 -11.025 13.128 1.00 54.42 H new ATOM 0 HB2 LYS A 19 50.108 -10.707 13.792 1.00 34.10 H new ATOM 0 HB3 LYS A 19 50.192 -12.305 14.507 1.00 34.10 H new ATOM 0 HG2 LYS A 19 49.893 -13.310 12.236 1.00 0.43 H new ATOM 0 HG3 LYS A 19 49.881 -11.700 11.544 1.00 0.43 H new ATOM 0 HD2 LYS A 19 52.127 -11.812 11.409 1.00 33.02 H new ATOM 0 HD3 LYS A 19 52.185 -11.735 13.159 1.00 33.02 H new ATOM 0 HE2 LYS A 19 52.209 -14.132 13.367 1.00 41.41 H new ATOM 0 HE3 LYS A 19 51.763 -14.357 11.687 1.00 41.41 H new ATOM 0 HZ1 LYS A 19 54.114 -14.755 12.030 1.00 62.21 H new ATOM 0 HZ2 LYS A 19 53.896 -13.406 11.022 1.00 62.21 H new ATOM 0 HZ3 LYS A 19 54.328 -13.188 12.649 1.00 62.21 H new ATOM 270 N GLY A 20 47.274 -13.279 12.184 1.00 53.25 N ATOM 271 CA GLY A 20 46.750 -14.550 11.719 1.00 61.02 C ATOM 272 C GLY A 20 45.467 -14.942 12.425 1.00 4.20 C ATOM 273 O GLY A 20 45.500 -15.549 13.496 1.00 10.13 O ATOM 0 H GLY A 20 47.280 -12.536 11.485 1.00 53.25 H new ATOM 0 HA2 GLY A 20 46.568 -14.493 10.646 1.00 61.02 H new ATOM 0 HA3 GLY A 20 47.499 -15.327 11.875 1.00 61.02 H new ATOM 277 N LEU A 21 44.334 -14.593 11.826 1.00 21.11 N ATOM 278 CA LEU A 21 43.033 -14.911 12.405 1.00 4.34 C ATOM 279 C LEU A 21 41.903 -14.412 11.511 1.00 33.12 C ATOM 280 O LEU A 21 42.138 -13.697 10.538 1.00 45.20 O ATOM 281 CB LEU A 21 42.908 -14.291 13.798 1.00 4.03 C ATOM 282 CG LEU A 21 42.498 -15.243 14.922 1.00 22.22 C ATOM 283 CD1 LEU A 21 43.532 -15.229 16.038 1.00 72.03 C ATOM 284 CD2 LEU A 21 41.124 -14.872 15.461 1.00 43.11 C ATOM 0 H LEU A 21 44.290 -14.090 10.940 1.00 21.11 H new ATOM 0 HA LEU A 21 42.954 -15.995 12.488 1.00 4.34 H new ATOM 0 HB2 LEU A 21 43.866 -13.841 14.061 1.00 4.03 H new ATOM 0 HB3 LEU A 21 42.179 -13.482 13.750 1.00 4.03 H new ATOM 0 HG LEU A 21 42.446 -16.253 14.515 1.00 22.22 H new ATOM 0 HD11 LEU A 21 43.223 -15.912 16.829 1.00 72.03 H new ATOM 0 HD12 LEU A 21 44.498 -15.544 15.643 1.00 72.03 H new ATOM 0 HD13 LEU A 21 43.617 -14.220 16.443 1.00 72.03 H new ATOM 0 HD21 LEU A 21 40.849 -15.560 16.260 1.00 43.11 H new ATOM 0 HD22 LEU A 21 41.149 -13.854 15.851 1.00 43.11 H new ATOM 0 HD23 LEU A 21 40.389 -14.935 14.658 1.00 43.11 H new ATOM 296 N GLN A 22 40.675 -14.793 11.850 1.00 63.40 N ATOM 297 CA GLN A 22 39.508 -14.383 11.078 1.00 22.31 C ATOM 298 C GLN A 22 38.487 -13.680 11.967 1.00 65.23 C ATOM 299 O GLN A 22 38.249 -14.094 13.101 1.00 60.23 O ATOM 300 CB GLN A 22 38.865 -15.596 10.403 1.00 30.13 C ATOM 301 CG GLN A 22 39.794 -16.322 9.443 1.00 12.14 C ATOM 302 CD GLN A 22 40.533 -17.470 10.102 1.00 1.34 C ATOM 303 OE1 GLN A 22 41.581 -17.276 10.719 1.00 10.32 O ATOM 304 NE2 GLN A 22 39.990 -18.675 9.975 1.00 11.24 N ATOM 0 H GLN A 22 40.463 -15.384 12.654 1.00 63.40 H new ATOM 0 HA GLN A 22 39.839 -13.682 10.311 1.00 22.31 H new ATOM 0 HB2 GLN A 22 38.532 -16.294 11.171 1.00 30.13 H new ATOM 0 HB3 GLN A 22 37.977 -15.271 9.860 1.00 30.13 H new ATOM 0 HG2 GLN A 22 39.215 -16.703 8.602 1.00 12.14 H new ATOM 0 HG3 GLN A 22 40.517 -15.614 9.038 1.00 12.14 H new ATOM 0 HE21 GLN A 22 39.120 -18.790 9.455 1.00 11.24 H new ATOM 0 HE22 GLN A 22 40.443 -19.485 10.398 1.00 11.24 H new ATOM 313 N GLU A 23 37.889 -12.615 11.443 1.00 14.04 N ATOM 314 CA GLU A 23 36.894 -11.854 12.191 1.00 63.20 C ATOM 315 C GLU A 23 35.553 -11.850 11.464 1.00 73.40 C ATOM 316 O GLU A 23 35.437 -11.328 10.356 1.00 15.14 O ATOM 317 CB GLU A 23 37.375 -10.417 12.405 1.00 34.34 C ATOM 318 CG GLU A 23 37.882 -9.750 11.138 1.00 2.33 C ATOM 319 CD GLU A 23 37.376 -8.329 10.985 1.00 42.51 C ATOM 320 OE1 GLU A 23 36.146 -8.125 11.054 1.00 61.32 O ATOM 321 OE2 GLU A 23 38.211 -7.419 10.796 1.00 23.30 O ATOM 0 H GLU A 23 38.075 -12.260 10.505 1.00 14.04 H new ATOM 0 HA GLU A 23 36.760 -12.333 13.161 1.00 63.20 H new ATOM 0 HB2 GLU A 23 36.556 -9.826 12.814 1.00 34.34 H new ATOM 0 HB3 GLU A 23 38.171 -10.416 13.149 1.00 34.34 H new ATOM 0 HG2 GLU A 23 38.972 -9.745 11.146 1.00 2.33 H new ATOM 0 HG3 GLU A 23 37.572 -10.337 10.274 1.00 2.33 H new ATOM 328 N ASN A 24 34.542 -12.438 12.096 1.00 21.13 N ATOM 329 CA ASN A 24 33.208 -12.504 11.510 1.00 63.10 C ATOM 330 C ASN A 24 32.338 -11.354 12.007 1.00 42.30 C ATOM 331 O ASN A 24 32.390 -10.984 13.180 1.00 2.41 O ATOM 332 CB ASN A 24 32.546 -13.842 11.847 1.00 41.44 C ATOM 333 CG ASN A 24 32.365 -14.037 13.339 1.00 34.44 C ATOM 334 OD1 ASN A 24 31.314 -13.718 13.895 1.00 13.14 O ATOM 335 ND2 ASN A 24 33.391 -14.565 13.996 1.00 44.21 N ATOM 0 H ASN A 24 34.621 -12.876 13.014 1.00 21.13 H new ATOM 0 HA ASN A 24 33.309 -12.418 10.428 1.00 63.10 H new ATOM 0 HB2 ASN A 24 31.575 -13.898 11.356 1.00 41.44 H new ATOM 0 HB3 ASN A 24 33.152 -14.655 11.448 1.00 41.44 H new ATOM 0 HD21 ASN A 24 33.327 -14.721 15.002 1.00 44.21 H new ATOM 0 HD22 ASN A 24 34.244 -14.815 13.495 1.00 44.21 H new ATOM 342 N PHE A 25 31.538 -10.792 11.106 1.00 22.35 N ATOM 343 CA PHE A 25 30.656 -9.684 11.453 1.00 44.43 C ATOM 344 C PHE A 25 29.193 -10.076 11.272 1.00 51.45 C ATOM 345 O PHE A 25 28.876 -11.239 11.023 1.00 33.14 O ATOM 346 CB PHE A 25 30.979 -8.460 10.592 1.00 33.04 C ATOM 347 CG PHE A 25 30.617 -8.633 9.145 1.00 63.12 C ATOM 348 CD1 PHE A 25 31.520 -9.191 8.254 1.00 72.12 C ATOM 349 CD2 PHE A 25 29.375 -8.238 8.675 1.00 30.32 C ATOM 350 CE1 PHE A 25 31.190 -9.351 6.921 1.00 10.32 C ATOM 351 CE2 PHE A 25 29.039 -8.396 7.344 1.00 43.24 C ATOM 352 CZ PHE A 25 29.948 -8.954 6.466 1.00 51.32 C ATOM 0 H PHE A 25 31.483 -11.086 10.131 1.00 22.35 H new ATOM 0 HA PHE A 25 30.819 -9.436 12.502 1.00 44.43 H new ATOM 0 HB2 PHE A 25 30.448 -7.595 10.990 1.00 33.04 H new ATOM 0 HB3 PHE A 25 32.044 -8.243 10.668 1.00 33.04 H new ATOM 0 HD1 PHE A 25 32.492 -9.504 8.605 1.00 72.12 H new ATOM 0 HD2 PHE A 25 28.661 -7.801 9.357 1.00 30.32 H new ATOM 0 HE1 PHE A 25 31.903 -9.786 6.236 1.00 10.32 H new ATOM 0 HE2 PHE A 25 28.067 -8.084 6.991 1.00 43.24 H new ATOM 0 HZ PHE A 25 29.688 -9.080 5.425 1.00 51.32 H new ATOM 362 N LYS A 26 28.304 -9.096 11.398 1.00 43.10 N ATOM 363 CA LYS A 26 26.874 -9.336 11.248 1.00 11.30 C ATOM 364 C LYS A 26 26.202 -8.179 10.515 1.00 64.04 C ATOM 365 O LYS A 26 26.342 -7.020 10.904 1.00 30.13 O ATOM 366 CB LYS A 26 26.222 -9.531 12.619 1.00 63.42 C ATOM 367 CG LYS A 26 25.260 -10.705 12.673 1.00 72.13 C ATOM 368 CD LYS A 26 25.163 -11.283 14.075 1.00 53.32 C ATOM 369 CE LYS A 26 25.710 -12.701 14.133 1.00 44.53 C ATOM 370 NZ LYS A 26 25.330 -13.391 15.396 1.00 1.22 N ATOM 0 H LYS A 26 28.549 -8.128 11.604 1.00 43.10 H new ATOM 0 HA LYS A 26 26.743 -10.243 10.657 1.00 11.30 H new ATOM 0 HB2 LYS A 26 27.002 -9.677 13.366 1.00 63.42 H new ATOM 0 HB3 LYS A 26 25.687 -8.621 12.890 1.00 63.42 H new ATOM 0 HG2 LYS A 26 24.273 -10.383 12.342 1.00 72.13 H new ATOM 0 HG3 LYS A 26 25.591 -11.480 11.981 1.00 72.13 H new ATOM 0 HD2 LYS A 26 25.716 -10.650 14.769 1.00 53.32 H new ATOM 0 HD3 LYS A 26 24.122 -11.280 14.400 1.00 53.32 H new ATOM 0 HE2 LYS A 26 25.336 -13.270 13.282 1.00 44.53 H new ATOM 0 HE3 LYS A 26 26.796 -12.675 14.046 1.00 44.53 H new ATOM 0 HZ1 LYS A 26 25.722 -14.354 15.397 1.00 1.22 H new ATOM 0 HZ2 LYS A 26 25.709 -12.863 16.208 1.00 1.22 H new ATOM 0 HZ3 LYS A 26 24.294 -13.439 15.467 1.00 1.22 H new ATOM 384 N ALA A 27 25.472 -8.502 9.452 1.00 24.21 N ATOM 385 CA ALA A 27 24.777 -7.490 8.667 1.00 75.31 C ATOM 386 C ALA A 27 23.381 -7.964 8.274 1.00 64.01 C ATOM 387 O ALA A 27 23.229 -8.949 7.551 1.00 60.23 O ATOM 388 CB ALA A 27 25.585 -7.136 7.427 1.00 35.32 C ATOM 0 H ALA A 27 25.347 -9.457 9.115 1.00 24.21 H new ATOM 0 HA ALA A 27 24.670 -6.598 9.284 1.00 75.31 H new ATOM 0 HB1 ALA A 27 25.054 -6.379 6.850 1.00 35.32 H new ATOM 0 HB2 ALA A 27 26.559 -6.747 7.726 1.00 35.32 H new ATOM 0 HB3 ALA A 27 25.722 -8.028 6.815 1.00 35.32 H new ATOM 394 N THR A 28 22.364 -7.257 8.755 1.00 13.23 N ATOM 395 CA THR A 28 20.981 -7.606 8.456 1.00 72.11 C ATOM 396 C THR A 28 20.293 -6.499 7.665 1.00 61.21 C ATOM 397 O THR A 28 19.907 -5.472 8.222 1.00 23.51 O ATOM 398 CB THR A 28 20.178 -7.877 9.743 1.00 45.44 C ATOM 399 OG1 THR A 28 20.285 -6.758 10.631 1.00 62.33 O ATOM 400 CG2 THR A 28 20.679 -9.133 10.439 1.00 64.03 C ATOM 0 H THR A 28 22.472 -6.438 9.354 1.00 13.23 H new ATOM 0 HA THR A 28 21.008 -8.515 7.855 1.00 72.11 H new ATOM 0 HB THR A 28 19.133 -8.025 9.469 1.00 45.44 H new ATOM 0 HG1 THR A 28 20.243 -5.926 10.115 1.00 62.33 H new ATOM 0 HG21 THR A 28 20.097 -9.304 11.345 1.00 64.03 H new ATOM 0 HG22 THR A 28 20.570 -9.987 9.771 1.00 64.03 H new ATOM 0 HG23 THR A 28 21.730 -9.009 10.701 1.00 64.03 H new ATOM 408 N GLY A 29 20.142 -6.715 6.362 1.00 71.43 N ATOM 409 CA GLY A 29 19.500 -5.727 5.515 1.00 15.13 C ATOM 410 C GLY A 29 18.085 -6.119 5.137 1.00 40.10 C ATOM 411 O GLY A 29 17.866 -7.168 4.531 1.00 72.10 O ATOM 0 H GLY A 29 20.453 -7.557 5.878 1.00 71.43 H new ATOM 0 HA2 GLY A 29 19.482 -4.767 6.031 1.00 15.13 H new ATOM 0 HA3 GLY A 29 20.090 -5.591 4.609 1.00 15.13 H new ATOM 415 N ILE A 30 17.123 -5.276 5.496 1.00 0.41 N ATOM 416 CA ILE A 30 15.723 -5.540 5.191 1.00 74.33 C ATOM 417 C ILE A 30 15.078 -4.349 4.491 1.00 13.42 C ATOM 418 O ILE A 30 15.306 -3.198 4.865 1.00 54.21 O ATOM 419 CB ILE A 30 14.921 -5.869 6.464 1.00 21.11 C ATOM 420 CG1 ILE A 30 15.693 -6.861 7.337 1.00 74.44 C ATOM 421 CG2 ILE A 30 13.554 -6.427 6.100 1.00 74.52 C ATOM 422 CD1 ILE A 30 16.512 -6.201 8.423 1.00 11.21 C ATOM 0 H ILE A 30 17.288 -4.404 5.999 1.00 0.41 H new ATOM 0 HA ILE A 30 15.703 -6.403 4.526 1.00 74.33 H new ATOM 0 HB ILE A 30 14.776 -4.950 7.032 1.00 21.11 H new ATOM 0 HG12 ILE A 30 14.988 -7.554 7.796 1.00 74.44 H new ATOM 0 HG13 ILE A 30 16.354 -7.452 6.703 1.00 74.44 H new ATOM 0 HG21 ILE A 30 13.000 -6.654 7.011 1.00 74.52 H new ATOM 0 HG22 ILE A 30 13.004 -5.690 5.515 1.00 74.52 H new ATOM 0 HG23 ILE A 30 13.677 -7.337 5.513 1.00 74.52 H new ATOM 0 HD11 ILE A 30 17.032 -6.965 9.002 1.00 11.21 H new ATOM 0 HD12 ILE A 30 17.242 -5.529 7.971 1.00 11.21 H new ATOM 0 HD13 ILE A 30 15.854 -5.633 9.080 1.00 11.21 H new ATOM 434 N PHE A 31 14.270 -4.632 3.475 1.00 70.22 N ATOM 435 CA PHE A 31 13.590 -3.584 2.723 1.00 45.23 C ATOM 436 C PHE A 31 12.076 -3.733 2.830 1.00 54.55 C ATOM 437 O PHE A 31 11.536 -4.830 2.686 1.00 34.12 O ATOM 438 CB PHE A 31 14.016 -3.623 1.253 1.00 32.35 C ATOM 439 CG PHE A 31 14.507 -4.971 0.808 1.00 45.32 C ATOM 440 CD1 PHE A 31 13.624 -6.025 0.642 1.00 71.12 C ATOM 441 CD2 PHE A 31 15.853 -5.183 0.554 1.00 10.12 C ATOM 442 CE1 PHE A 31 14.074 -7.266 0.233 1.00 71.15 C ATOM 443 CE2 PHE A 31 16.309 -6.422 0.144 1.00 12.33 C ATOM 444 CZ PHE A 31 15.418 -7.464 -0.018 1.00 32.43 C ATOM 0 H PHE A 31 14.070 -5.579 3.153 1.00 70.22 H new ATOM 0 HA PHE A 31 13.873 -2.622 3.151 1.00 45.23 H new ATOM 0 HB2 PHE A 31 13.171 -3.329 0.630 1.00 32.35 H new ATOM 0 HB3 PHE A 31 14.803 -2.887 1.091 1.00 32.35 H new ATOM 0 HD1 PHE A 31 12.572 -5.875 0.834 1.00 71.12 H new ATOM 0 HD2 PHE A 31 16.554 -4.371 0.678 1.00 10.12 H new ATOM 0 HE1 PHE A 31 13.376 -8.080 0.110 1.00 71.15 H new ATOM 0 HE2 PHE A 31 17.361 -6.575 -0.049 1.00 12.33 H new ATOM 0 HZ PHE A 31 15.771 -8.432 -0.340 1.00 32.43 H new ATOM 454 N THR A 32 11.394 -2.620 3.083 1.00 10.42 N ATOM 455 CA THR A 32 9.942 -2.625 3.211 1.00 3.13 C ATOM 456 C THR A 32 9.274 -2.953 1.881 1.00 21.41 C ATOM 457 O THR A 32 8.077 -3.236 1.830 1.00 30.21 O ATOM 458 CB THR A 32 9.418 -1.267 3.715 1.00 52.13 C ATOM 459 OG1 THR A 32 10.127 -0.875 4.895 1.00 32.15 O ATOM 460 CG2 THR A 32 7.928 -1.339 4.012 1.00 13.13 C ATOM 0 H THR A 32 11.825 -1.703 3.203 1.00 10.42 H new ATOM 0 HA THR A 32 9.692 -3.396 3.940 1.00 3.13 H new ATOM 0 HB THR A 32 9.581 -0.526 2.932 1.00 52.13 H new ATOM 0 HG1 THR A 32 9.789 -0.010 5.208 1.00 32.15 H new ATOM 0 HG21 THR A 32 7.580 -0.369 4.366 1.00 13.13 H new ATOM 0 HG22 THR A 32 7.389 -1.608 3.104 1.00 13.13 H new ATOM 0 HG23 THR A 32 7.746 -2.092 4.779 1.00 13.13 H new ATOM 468 N ASP A 33 10.055 -2.915 0.807 1.00 53.20 N ATOM 469 CA ASP A 33 9.538 -3.210 -0.524 1.00 64.55 C ATOM 470 C ASP A 33 9.341 -4.712 -0.710 1.00 1.22 C ATOM 471 O ASP A 33 8.829 -5.158 -1.735 1.00 74.31 O ATOM 472 CB ASP A 33 10.489 -2.672 -1.595 1.00 24.54 C ATOM 473 CG ASP A 33 11.516 -3.701 -2.026 1.00 43.24 C ATOM 474 OD1 ASP A 33 12.111 -4.353 -1.143 1.00 31.43 O ATOM 475 OD2 ASP A 33 11.725 -3.854 -3.248 1.00 12.21 O ATOM 0 H ASP A 33 11.048 -2.683 0.832 1.00 53.20 H new ATOM 0 HA ASP A 33 8.571 -2.719 -0.628 1.00 64.55 H new ATOM 0 HB2 ASP A 33 9.912 -2.353 -2.463 1.00 24.54 H new ATOM 0 HB3 ASP A 33 11.001 -1.790 -1.212 1.00 24.54 H new ATOM 480 N ASN A 34 9.753 -5.485 0.289 1.00 31.45 N ATOM 481 CA ASN A 34 9.623 -6.937 0.236 1.00 51.02 C ATOM 482 C ASN A 34 9.785 -7.549 1.624 1.00 70.33 C ATOM 483 O ASN A 34 8.810 -7.719 2.356 1.00 23.41 O ATOM 484 CB ASN A 34 10.662 -7.528 -0.719 1.00 41.11 C ATOM 485 CG ASN A 34 10.276 -7.351 -2.175 1.00 20.30 C ATOM 486 OD1 ASN A 34 9.194 -7.760 -2.596 1.00 32.53 O ATOM 487 ND2 ASN A 34 11.162 -6.739 -2.952 1.00 23.51 N ATOM 0 H ASN A 34 10.180 -5.131 1.145 1.00 31.45 H new ATOM 0 HA ASN A 34 8.625 -7.174 -0.132 1.00 51.02 H new ATOM 0 HB2 ASN A 34 11.627 -7.053 -0.541 1.00 41.11 H new ATOM 0 HB3 ASN A 34 10.786 -8.590 -0.505 1.00 41.11 H new ATOM 0 HD21 ASN A 34 10.958 -6.592 -3.940 1.00 23.51 H new ATOM 0 HD22 ASN A 34 12.047 -6.416 -2.560 1.00 23.51 H new ATOM 494 N SER A 35 11.023 -7.878 1.979 1.00 70.03 N ATOM 495 CA SER A 35 11.313 -8.474 3.277 1.00 30.44 C ATOM 496 C SER A 35 12.799 -8.367 3.605 1.00 42.11 C ATOM 497 O SER A 35 13.495 -7.486 3.101 1.00 14.14 O ATOM 498 CB SER A 35 10.880 -9.942 3.297 1.00 53.53 C ATOM 499 OG SER A 35 9.689 -10.132 2.552 1.00 42.51 O ATOM 0 H SER A 35 11.841 -7.742 1.385 1.00 70.03 H new ATOM 0 HA SER A 35 10.751 -7.926 4.033 1.00 30.44 H new ATOM 0 HB2 SER A 35 11.674 -10.564 2.884 1.00 53.53 H new ATOM 0 HB3 SER A 35 10.724 -10.265 4.326 1.00 53.53 H new ATOM 0 HG SER A 35 9.072 -9.390 2.726 1.00 42.51 H new ATOM 505 N ASN A 36 13.279 -9.271 4.453 1.00 72.23 N ATOM 506 CA ASN A 36 14.682 -9.279 4.849 1.00 43.30 C ATOM 507 C ASN A 36 15.501 -10.184 3.934 1.00 61.03 C ATOM 508 O ASN A 36 15.048 -11.259 3.540 1.00 42.32 O ATOM 509 CB ASN A 36 14.822 -9.742 6.301 1.00 75.05 C ATOM 510 CG ASN A 36 14.803 -11.253 6.429 1.00 11.15 C ATOM 511 OD1 ASN A 36 13.799 -11.900 6.130 1.00 24.22 O ATOM 512 ND2 ASN A 36 15.916 -11.822 6.877 1.00 30.12 N ATOM 0 H ASN A 36 12.717 -10.008 4.879 1.00 72.23 H new ATOM 0 HA ASN A 36 15.064 -8.262 4.761 1.00 43.30 H new ATOM 0 HB2 ASN A 36 15.754 -9.357 6.714 1.00 75.05 H new ATOM 0 HB3 ASN A 36 14.011 -9.319 6.894 1.00 75.05 H new ATOM 0 HD21 ASN A 36 15.963 -12.835 6.985 1.00 30.12 H new ATOM 0 HD22 ASN A 36 16.724 -11.246 7.113 1.00 30.12 H new ATOM 519 N SER A 37 16.709 -9.742 3.600 1.00 43.22 N ATOM 520 CA SER A 37 17.591 -10.510 2.728 1.00 34.24 C ATOM 521 C SER A 37 19.021 -10.502 3.259 1.00 60.00 C ATOM 522 O SER A 37 19.500 -9.489 3.770 1.00 35.41 O ATOM 523 CB SER A 37 17.558 -9.944 1.308 1.00 44.34 C ATOM 524 OG SER A 37 16.946 -10.853 0.410 1.00 72.11 O ATOM 0 H SER A 37 17.100 -8.856 3.920 1.00 43.22 H new ATOM 0 HA SER A 37 17.235 -11.540 2.708 1.00 34.24 H new ATOM 0 HB2 SER A 37 17.013 -9.000 1.302 1.00 44.34 H new ATOM 0 HB3 SER A 37 18.573 -9.728 0.976 1.00 44.34 H new ATOM 0 HG SER A 37 16.647 -10.372 -0.390 1.00 72.11 H new ATOM 530 N ASP A 38 19.698 -11.638 3.134 1.00 61.14 N ATOM 531 CA ASP A 38 21.074 -11.763 3.599 1.00 24.31 C ATOM 532 C ASP A 38 22.057 -11.372 2.500 1.00 64.51 C ATOM 533 O ASP A 38 22.294 -12.138 1.565 1.00 52.45 O ATOM 534 CB ASP A 38 21.351 -13.195 4.062 1.00 14.41 C ATOM 535 CG ASP A 38 20.236 -13.748 4.928 1.00 72.34 C ATOM 536 OD1 ASP A 38 19.962 -13.157 5.993 1.00 12.21 O ATOM 537 OD2 ASP A 38 19.637 -14.773 4.539 1.00 13.41 O ATOM 0 H ASP A 38 19.316 -12.486 2.714 1.00 61.14 H new ATOM 0 HA ASP A 38 21.209 -11.084 4.441 1.00 24.31 H new ATOM 0 HB2 ASP A 38 21.483 -13.837 3.191 1.00 14.41 H new ATOM 0 HB3 ASP A 38 22.287 -13.219 4.620 1.00 14.41 H new ATOM 542 N ILE A 39 22.626 -10.177 2.619 1.00 32.41 N ATOM 543 CA ILE A 39 23.583 -9.686 1.636 1.00 52.33 C ATOM 544 C ILE A 39 23.204 -10.135 0.228 1.00 5.43 C ATOM 545 O ILE A 39 24.057 -10.567 -0.548 1.00 50.33 O ATOM 546 CB ILE A 39 25.011 -10.168 1.950 1.00 61.41 C ATOM 547 CG1 ILE A 39 25.074 -11.697 1.922 1.00 41.14 C ATOM 548 CG2 ILE A 39 25.464 -9.639 3.303 1.00 74.15 C ATOM 549 CD1 ILE A 39 26.477 -12.241 1.768 1.00 70.23 C ATOM 0 H ILE A 39 22.441 -9.531 3.387 1.00 32.41 H new ATOM 0 HA ILE A 39 23.557 -8.598 1.687 1.00 52.33 H new ATOM 0 HB ILE A 39 25.685 -9.781 1.186 1.00 61.41 H new ATOM 0 HG12 ILE A 39 24.641 -12.087 2.843 1.00 41.14 H new ATOM 0 HG13 ILE A 39 24.459 -12.063 1.100 1.00 41.14 H new ATOM 0 HG21 ILE A 39 26.475 -9.989 3.510 1.00 74.15 H new ATOM 0 HG22 ILE A 39 25.452 -8.549 3.290 1.00 74.15 H new ATOM 0 HG23 ILE A 39 24.789 -10.000 4.079 1.00 74.15 H new ATOM 0 HD11 ILE A 39 26.446 -13.330 1.756 1.00 70.23 H new ATOM 0 HD12 ILE A 39 26.907 -11.880 0.834 1.00 70.23 H new ATOM 0 HD13 ILE A 39 27.091 -11.905 2.603 1.00 70.23 H new ATOM 561 N THR A 40 21.920 -10.028 -0.096 1.00 15.12 N ATOM 562 CA THR A 40 21.427 -10.422 -1.410 1.00 4.12 C ATOM 563 C THR A 40 22.007 -9.532 -2.503 1.00 64.45 C ATOM 564 O THR A 40 22.165 -9.961 -3.647 1.00 13.11 O ATOM 565 CB THR A 40 19.890 -10.360 -1.475 1.00 73.34 C ATOM 566 OG1 THR A 40 19.322 -11.292 -0.548 1.00 20.00 O ATOM 567 CG2 THR A 40 19.395 -10.670 -2.880 1.00 62.33 C ATOM 0 H THR A 40 21.202 -9.671 0.534 1.00 15.12 H new ATOM 0 HA THR A 40 21.748 -11.451 -1.573 1.00 4.12 H new ATOM 0 HB THR A 40 19.578 -9.350 -1.211 1.00 73.34 H new ATOM 0 HG1 THR A 40 18.344 -11.234 -0.583 1.00 20.00 H new ATOM 0 HG21 THR A 40 18.306 -10.620 -2.901 1.00 62.33 H new ATOM 0 HG22 THR A 40 19.805 -9.942 -3.579 1.00 62.33 H new ATOM 0 HG23 THR A 40 19.718 -11.671 -3.167 1.00 62.33 H new ATOM 575 N ASP A 41 22.324 -8.293 -2.145 1.00 63.04 N ATOM 576 CA ASP A 41 22.889 -7.343 -3.097 1.00 22.12 C ATOM 577 C ASP A 41 24.406 -7.485 -3.170 1.00 43.33 C ATOM 578 O ASP A 41 25.080 -6.702 -3.840 1.00 71.31 O ATOM 579 CB ASP A 41 22.516 -5.913 -2.704 1.00 45.42 C ATOM 580 CG ASP A 41 22.424 -4.989 -3.903 1.00 0.23 C ATOM 581 OD1 ASP A 41 21.399 -5.041 -4.615 1.00 1.33 O ATOM 582 OD2 ASP A 41 23.376 -4.213 -4.128 1.00 62.22 O ATOM 0 H ASP A 41 22.200 -7.923 -1.203 1.00 63.04 H new ATOM 0 HA ASP A 41 22.474 -7.561 -4.081 1.00 22.12 H new ATOM 0 HB2 ASP A 41 21.560 -5.921 -2.181 1.00 45.42 H new ATOM 0 HB3 ASP A 41 23.258 -5.526 -2.006 1.00 45.42 H new ATOM 587 N GLN A 42 24.936 -8.487 -2.477 1.00 3.25 N ATOM 588 CA GLN A 42 26.374 -8.729 -2.462 1.00 41.02 C ATOM 589 C GLN A 42 27.137 -7.457 -2.106 1.00 31.33 C ATOM 590 O GLN A 42 27.771 -6.841 -2.962 1.00 2.21 O ATOM 591 CB GLN A 42 26.838 -9.252 -3.823 1.00 1.41 C ATOM 592 CG GLN A 42 28.200 -9.927 -3.783 1.00 53.53 C ATOM 593 CD GLN A 42 28.164 -11.345 -4.318 1.00 51.42 C ATOM 594 OE1 GLN A 42 27.569 -12.235 -3.710 1.00 51.13 O ATOM 595 NE2 GLN A 42 28.802 -11.562 -5.462 1.00 62.41 N ATOM 0 H GLN A 42 24.392 -9.144 -1.919 1.00 3.25 H new ATOM 0 HA GLN A 42 26.583 -9.481 -1.701 1.00 41.02 H new ATOM 0 HB2 GLN A 42 26.101 -9.961 -4.201 1.00 1.41 H new ATOM 0 HB3 GLN A 42 26.873 -8.422 -4.529 1.00 1.41 H new ATOM 0 HG2 GLN A 42 28.909 -9.340 -4.367 1.00 53.53 H new ATOM 0 HG3 GLN A 42 28.565 -9.939 -2.756 1.00 53.53 H new ATOM 0 HE21 GLN A 42 29.282 -10.794 -5.932 1.00 62.41 H new ATOM 0 HE22 GLN A 42 28.812 -12.496 -5.871 1.00 62.41 H new ATOM 604 N VAL A 43 27.070 -7.070 -0.836 1.00 4.41 N ATOM 605 CA VAL A 43 27.755 -5.871 -0.366 1.00 23.44 C ATOM 606 C VAL A 43 29.221 -5.877 -0.783 1.00 45.24 C ATOM 607 O VAL A 43 29.903 -6.898 -0.688 1.00 34.40 O ATOM 608 CB VAL A 43 27.670 -5.741 1.167 1.00 70.23 C ATOM 609 CG1 VAL A 43 28.209 -6.994 1.840 1.00 31.11 C ATOM 610 CG2 VAL A 43 28.423 -4.506 1.639 1.00 72.42 C ATOM 0 H VAL A 43 26.549 -7.569 -0.115 1.00 4.41 H new ATOM 0 HA VAL A 43 27.253 -5.019 -0.825 1.00 23.44 H new ATOM 0 HB VAL A 43 26.623 -5.629 1.447 1.00 70.23 H new ATOM 0 HG11 VAL A 43 28.141 -6.884 2.922 1.00 31.11 H new ATOM 0 HG12 VAL A 43 27.622 -7.857 1.526 1.00 31.11 H new ATOM 0 HG13 VAL A 43 29.251 -7.140 1.555 1.00 31.11 H new ATOM 0 HG21 VAL A 43 28.353 -4.430 2.724 1.00 72.42 H new ATOM 0 HG22 VAL A 43 29.470 -4.585 1.348 1.00 72.42 H new ATOM 0 HG23 VAL A 43 27.986 -3.617 1.184 1.00 72.42 H new ATOM 620 N THR A 44 29.703 -4.728 -1.247 1.00 43.21 N ATOM 621 CA THR A 44 31.089 -4.599 -1.680 1.00 71.45 C ATOM 622 C THR A 44 32.005 -4.275 -0.506 1.00 34.43 C ATOM 623 O THR A 44 31.929 -3.191 0.071 1.00 3.42 O ATOM 624 CB THR A 44 31.243 -3.505 -2.754 1.00 33.14 C ATOM 625 OG1 THR A 44 30.194 -3.617 -3.722 1.00 35.24 O ATOM 626 CG2 THR A 44 32.593 -3.613 -3.447 1.00 14.24 C ATOM 0 H THR A 44 29.153 -3.873 -1.333 1.00 43.21 H new ATOM 0 HA THR A 44 31.377 -5.560 -2.107 1.00 71.45 H new ATOM 0 HB THR A 44 31.181 -2.534 -2.263 1.00 33.14 H new ATOM 0 HG1 THR A 44 30.298 -2.917 -4.400 1.00 35.24 H new ATOM 0 HG21 THR A 44 32.679 -2.830 -4.201 1.00 14.24 H new ATOM 0 HG22 THR A 44 33.390 -3.497 -2.712 1.00 14.24 H new ATOM 0 HG23 THR A 44 32.679 -4.589 -3.925 1.00 14.24 H new ATOM 634 N TRP A 45 32.869 -5.222 -0.157 1.00 14.20 N ATOM 635 CA TRP A 45 33.800 -5.036 0.950 1.00 41.21 C ATOM 636 C TRP A 45 35.224 -4.851 0.438 1.00 63.44 C ATOM 637 O TRP A 45 35.555 -5.275 -0.670 1.00 40.00 O ATOM 638 CB TRP A 45 33.738 -6.231 1.902 1.00 62.31 C ATOM 639 CG TRP A 45 34.227 -7.507 1.286 1.00 73.32 C ATOM 640 CD1 TRP A 45 35.522 -7.931 1.197 1.00 32.33 C ATOM 641 CD2 TRP A 45 33.427 -8.523 0.671 1.00 72.11 C ATOM 642 NE1 TRP A 45 35.575 -9.150 0.564 1.00 3.23 N ATOM 643 CE2 TRP A 45 34.303 -9.535 0.232 1.00 4.13 C ATOM 644 CE3 TRP A 45 32.056 -8.678 0.450 1.00 13.30 C ATOM 645 CZ2 TRP A 45 33.851 -10.682 -0.414 1.00 64.14 C ATOM 646 CZ3 TRP A 45 31.609 -9.817 -0.192 1.00 53.32 C ATOM 647 CH2 TRP A 45 32.504 -10.807 -0.618 1.00 31.24 C ATOM 0 H TRP A 45 32.944 -6.126 -0.624 1.00 14.20 H new ATOM 0 HA TRP A 45 33.508 -4.135 1.490 1.00 41.21 H new ATOM 0 HB2 TRP A 45 34.334 -6.012 2.788 1.00 62.31 H new ATOM 0 HB3 TRP A 45 32.709 -6.368 2.236 1.00 62.31 H new ATOM 0 HD1 TRP A 45 36.378 -7.388 1.569 1.00 32.33 H new ATOM 0 HE1 TRP A 45 36.424 -9.682 0.372 1.00 3.23 H new ATOM 0 HE3 TRP A 45 31.358 -7.921 0.775 1.00 13.30 H new ATOM 0 HZ2 TRP A 45 34.539 -11.446 -0.743 1.00 64.14 H new ATOM 0 HZ3 TRP A 45 30.551 -9.946 -0.368 1.00 53.32 H new ATOM 0 HH2 TRP A 45 32.123 -11.686 -1.117 1.00 31.24 H new ATOM 658 N ASP A 46 36.063 -4.218 1.250 1.00 50.53 N ATOM 659 CA ASP A 46 37.453 -3.978 0.878 1.00 32.44 C ATOM 660 C ASP A 46 38.381 -4.212 2.067 1.00 74.24 C ATOM 661 O ASP A 46 38.024 -3.929 3.210 1.00 3.32 O ATOM 662 CB ASP A 46 37.625 -2.552 0.354 1.00 12.01 C ATOM 663 CG ASP A 46 38.976 -2.334 -0.298 1.00 52.04 C ATOM 664 OD1 ASP A 46 39.177 -2.830 -1.427 1.00 21.21 O ATOM 665 OD2 ASP A 46 39.831 -1.666 0.319 1.00 65.41 O ATOM 0 H ASP A 46 35.805 -3.862 2.170 1.00 50.53 H new ATOM 0 HA ASP A 46 37.719 -4.681 0.088 1.00 32.44 H new ATOM 0 HB2 ASP A 46 36.837 -2.336 -0.368 1.00 12.01 H new ATOM 0 HB3 ASP A 46 37.505 -1.848 1.178 1.00 12.01 H new ATOM 670 N SER A 47 39.572 -4.732 1.788 1.00 73.15 N ATOM 671 CA SER A 47 40.549 -5.009 2.834 1.00 40.22 C ATOM 672 C SER A 47 41.897 -4.376 2.499 1.00 34.34 C ATOM 673 O SER A 47 42.248 -4.220 1.330 1.00 24.12 O ATOM 674 CB SER A 47 40.714 -6.518 3.021 1.00 72.22 C ATOM 675 OG SER A 47 42.014 -6.940 2.647 1.00 40.42 O ATOM 0 H SER A 47 39.883 -4.970 0.846 1.00 73.15 H new ATOM 0 HA SER A 47 40.183 -4.573 3.764 1.00 40.22 H new ATOM 0 HB2 SER A 47 40.529 -6.781 4.063 1.00 72.22 H new ATOM 0 HB3 SER A 47 39.971 -7.045 2.422 1.00 72.22 H new ATOM 0 HG SER A 47 41.947 -7.705 2.038 1.00 40.42 H new ATOM 681 N SER A 48 42.647 -4.014 3.535 1.00 35.13 N ATOM 682 CA SER A 48 43.954 -3.395 3.353 1.00 0.20 C ATOM 683 C SER A 48 44.818 -4.219 2.403 1.00 54.44 C ATOM 684 O SER A 48 44.565 -5.403 2.186 1.00 0.02 O ATOM 685 CB SER A 48 44.662 -3.242 4.701 1.00 71.23 C ATOM 686 OG SER A 48 46.053 -3.479 4.576 1.00 45.15 O ATOM 0 H SER A 48 42.372 -4.139 4.509 1.00 35.13 H new ATOM 0 HA SER A 48 43.803 -2.408 2.916 1.00 0.20 H new ATOM 0 HB2 SER A 48 44.495 -2.238 5.091 1.00 71.23 H new ATOM 0 HB3 SER A 48 44.234 -3.940 5.421 1.00 71.23 H new ATOM 0 HG SER A 48 46.323 -4.181 5.204 1.00 45.15 H new ATOM 692 N ASN A 49 45.838 -3.582 1.838 1.00 42.51 N ATOM 693 CA ASN A 49 46.740 -4.254 0.910 1.00 71.23 C ATOM 694 C ASN A 49 48.182 -4.177 1.400 1.00 4.13 C ATOM 695 O ASN A 49 49.113 -4.025 0.608 1.00 53.22 O ATOM 696 CB ASN A 49 46.629 -3.631 -0.483 1.00 70.33 C ATOM 697 CG ASN A 49 47.101 -4.571 -1.576 1.00 43.20 C ATOM 698 OD1 ASN A 49 47.586 -5.668 -1.300 1.00 30.22 O ATOM 699 ND2 ASN A 49 46.962 -4.143 -2.825 1.00 52.33 N ATOM 0 H ASN A 49 46.061 -2.601 2.007 1.00 42.51 H new ATOM 0 HA ASN A 49 46.449 -5.303 0.856 1.00 71.23 H new ATOM 0 HB2 ASN A 49 45.593 -3.351 -0.671 1.00 70.33 H new ATOM 0 HB3 ASN A 49 47.218 -2.715 -0.516 1.00 70.33 H new ATOM 0 HD21 ASN A 49 47.263 -4.731 -3.602 1.00 52.33 H new ATOM 0 HD22 ASN A 49 46.554 -3.226 -3.007 1.00 52.33 H new ATOM 706 N THR A 50 48.362 -4.283 2.713 1.00 31.33 N ATOM 707 CA THR A 50 49.690 -4.225 3.310 1.00 21.04 C ATOM 708 C THR A 50 50.560 -5.380 2.829 1.00 24.31 C ATOM 709 O THR A 50 51.471 -5.190 2.022 1.00 34.02 O ATOM 710 CB THR A 50 49.616 -4.259 4.849 1.00 45.24 C ATOM 711 OG1 THR A 50 48.348 -4.775 5.267 1.00 22.42 O ATOM 712 CG2 THR A 50 49.820 -2.868 5.431 1.00 65.32 C ATOM 0 H THR A 50 47.604 -4.410 3.383 1.00 31.33 H new ATOM 0 HA THR A 50 50.137 -3.282 2.996 1.00 21.04 H new ATOM 0 HB THR A 50 50.411 -4.909 5.215 1.00 45.24 H new ATOM 0 HG1 THR A 50 48.309 -4.795 6.246 1.00 22.42 H new ATOM 0 HG21 THR A 50 49.764 -2.917 6.518 1.00 65.32 H new ATOM 0 HG22 THR A 50 50.798 -2.490 5.135 1.00 65.32 H new ATOM 0 HG23 THR A 50 49.044 -2.200 5.057 1.00 65.32 H new ATOM 720 N ASP A 51 50.275 -6.578 3.328 1.00 11.34 N ATOM 721 CA ASP A 51 51.031 -7.765 2.947 1.00 21.15 C ATOM 722 C ASP A 51 50.118 -8.811 2.314 1.00 4.43 C ATOM 723 O ASP A 51 50.257 -9.137 1.135 1.00 11.10 O ATOM 724 CB ASP A 51 51.738 -8.359 4.167 1.00 10.40 C ATOM 725 CG ASP A 51 53.026 -9.070 3.801 1.00 52.34 C ATOM 726 OD1 ASP A 51 53.049 -9.752 2.755 1.00 23.23 O ATOM 727 OD2 ASP A 51 54.010 -8.944 4.560 1.00 71.45 O ATOM 0 H ASP A 51 49.526 -6.753 3.998 1.00 11.34 H new ATOM 0 HA ASP A 51 51.779 -7.469 2.212 1.00 21.15 H new ATOM 0 HB2 ASP A 51 51.955 -7.564 4.880 1.00 10.40 H new ATOM 0 HB3 ASP A 51 51.069 -9.060 4.666 1.00 10.40 H new ATOM 732 N ILE A 52 49.187 -9.333 3.105 1.00 1.53 N ATOM 733 CA ILE A 52 48.252 -10.341 2.622 1.00 43.13 C ATOM 734 C ILE A 52 46.944 -10.297 3.403 1.00 15.11 C ATOM 735 O ILE A 52 46.879 -10.734 4.553 1.00 41.00 O ATOM 736 CB ILE A 52 48.850 -11.757 2.722 1.00 12.22 C ATOM 737 CG1 ILE A 52 47.789 -12.807 2.386 1.00 51.22 C ATOM 738 CG2 ILE A 52 49.416 -11.995 4.114 1.00 21.20 C ATOM 739 CD1 ILE A 52 48.369 -14.126 1.927 1.00 31.42 C ATOM 0 H ILE A 52 49.060 -9.074 4.083 1.00 1.53 H new ATOM 0 HA ILE A 52 48.054 -10.112 1.575 1.00 43.13 H new ATOM 0 HB ILE A 52 49.662 -11.845 2.000 1.00 12.22 H new ATOM 0 HG12 ILE A 52 47.168 -12.979 3.265 1.00 51.22 H new ATOM 0 HG13 ILE A 52 47.136 -12.415 1.606 1.00 51.22 H new ATOM 0 HG21 ILE A 52 49.835 -13.000 4.170 1.00 21.20 H new ATOM 0 HG22 ILE A 52 50.198 -11.264 4.319 1.00 21.20 H new ATOM 0 HG23 ILE A 52 48.621 -11.892 4.853 1.00 21.20 H new ATOM 0 HD11 ILE A 52 47.560 -14.822 1.706 1.00 31.42 H new ATOM 0 HD12 ILE A 52 48.967 -13.968 1.029 1.00 31.42 H new ATOM 0 HD13 ILE A 52 48.999 -14.540 2.714 1.00 31.42 H new ATOM 751 N LEU A 53 45.901 -9.768 2.771 1.00 23.44 N ATOM 752 CA LEU A 53 44.592 -9.669 3.406 1.00 13.23 C ATOM 753 C LEU A 53 43.492 -10.153 2.466 1.00 4.31 C ATOM 754 O LEU A 53 43.391 -9.697 1.327 1.00 63.31 O ATOM 755 CB LEU A 53 44.317 -8.225 3.830 1.00 0.12 C ATOM 756 CG LEU A 53 45.402 -7.555 4.674 1.00 21.21 C ATOM 757 CD1 LEU A 53 46.453 -6.914 3.781 1.00 21.13 C ATOM 758 CD2 LEU A 53 44.790 -6.521 5.607 1.00 15.13 C ATOM 0 H LEU A 53 45.937 -9.401 1.820 1.00 23.44 H new ATOM 0 HA LEU A 53 44.596 -10.307 4.290 1.00 13.23 H new ATOM 0 HB2 LEU A 53 44.162 -7.627 2.932 1.00 0.12 H new ATOM 0 HB3 LEU A 53 43.383 -8.204 4.392 1.00 0.12 H new ATOM 0 HG LEU A 53 45.887 -8.320 5.280 1.00 21.21 H new ATOM 0 HD11 LEU A 53 47.217 -6.442 4.399 1.00 21.13 H new ATOM 0 HD12 LEU A 53 46.914 -7.678 3.155 1.00 21.13 H new ATOM 0 HD13 LEU A 53 45.983 -6.162 3.148 1.00 21.13 H new ATOM 0 HD21 LEU A 53 45.577 -6.055 6.200 1.00 15.13 H new ATOM 0 HD22 LEU A 53 44.278 -5.759 5.020 1.00 15.13 H new ATOM 0 HD23 LEU A 53 44.076 -7.008 6.271 1.00 15.13 H new ATOM 770 N SER A 54 42.670 -11.077 2.952 1.00 53.32 N ATOM 771 CA SER A 54 41.578 -11.624 2.154 1.00 2.32 C ATOM 772 C SER A 54 40.306 -11.746 2.987 1.00 55.04 C ATOM 773 O SER A 54 40.302 -12.372 4.047 1.00 4.32 O ATOM 774 CB SER A 54 41.966 -12.992 1.591 1.00 61.12 C ATOM 775 OG SER A 54 42.259 -12.909 0.207 1.00 74.53 O ATOM 0 H SER A 54 42.739 -11.463 3.894 1.00 53.32 H new ATOM 0 HA SER A 54 41.386 -10.940 1.327 1.00 2.32 H new ATOM 0 HB2 SER A 54 42.833 -13.377 2.127 1.00 61.12 H new ATOM 0 HB3 SER A 54 41.152 -13.699 1.752 1.00 61.12 H new ATOM 0 HG SER A 54 42.506 -13.796 -0.129 1.00 74.53 H new ATOM 781 N ILE A 55 39.227 -11.144 2.498 1.00 15.21 N ATOM 782 CA ILE A 55 37.947 -11.186 3.195 1.00 3.24 C ATOM 783 C ILE A 55 36.880 -11.865 2.345 1.00 75.31 C ATOM 784 O ILE A 55 36.739 -11.574 1.157 1.00 13.43 O ATOM 785 CB ILE A 55 37.465 -9.772 3.572 1.00 31.52 C ATOM 786 CG1 ILE A 55 38.578 -9.004 4.287 1.00 10.23 C ATOM 787 CG2 ILE A 55 36.223 -9.852 4.447 1.00 74.52 C ATOM 788 CD1 ILE A 55 38.177 -7.605 4.700 1.00 42.20 C ATOM 0 H ILE A 55 39.214 -10.621 1.622 1.00 15.21 H new ATOM 0 HA ILE A 55 38.103 -11.763 4.106 1.00 3.24 H new ATOM 0 HB ILE A 55 37.208 -9.236 2.658 1.00 31.52 H new ATOM 0 HG12 ILE A 55 38.883 -9.562 5.172 1.00 10.23 H new ATOM 0 HG13 ILE A 55 39.447 -8.946 3.632 1.00 10.23 H new ATOM 0 HG21 ILE A 55 35.894 -8.845 4.705 1.00 74.52 H new ATOM 0 HG22 ILE A 55 35.429 -10.365 3.905 1.00 74.52 H new ATOM 0 HG23 ILE A 55 36.455 -10.403 5.359 1.00 74.52 H new ATOM 0 HD11 ILE A 55 39.014 -7.119 5.201 1.00 42.20 H new ATOM 0 HD12 ILE A 55 37.900 -7.030 3.816 1.00 42.20 H new ATOM 0 HD13 ILE A 55 37.327 -7.656 5.381 1.00 42.20 H new ATOM 800 N SER A 56 36.128 -12.772 2.961 1.00 10.14 N ATOM 801 CA SER A 56 35.073 -13.495 2.261 1.00 43.14 C ATOM 802 C SER A 56 33.731 -13.314 2.963 1.00 23.14 C ATOM 803 O SER A 56 33.528 -13.806 4.073 1.00 41.34 O ATOM 804 CB SER A 56 35.419 -14.983 2.171 1.00 55.41 C ATOM 805 OG SER A 56 35.659 -15.370 0.829 1.00 32.53 O ATOM 0 H SER A 56 36.230 -13.024 3.944 1.00 10.14 H new ATOM 0 HA SER A 56 34.993 -13.086 1.254 1.00 43.14 H new ATOM 0 HB2 SER A 56 36.301 -15.192 2.776 1.00 55.41 H new ATOM 0 HB3 SER A 56 34.602 -15.575 2.583 1.00 55.41 H new ATOM 0 HG SER A 56 35.880 -16.324 0.798 1.00 32.53 H new ATOM 811 N ASN A 57 32.818 -12.604 2.308 1.00 22.52 N ATOM 812 CA ASN A 57 31.495 -12.357 2.869 1.00 20.24 C ATOM 813 C ASN A 57 30.407 -12.608 1.829 1.00 4.42 C ATOM 814 O ASN A 57 29.607 -11.723 1.528 1.00 12.12 O ATOM 815 CB ASN A 57 31.399 -10.921 3.389 1.00 73.40 C ATOM 816 CG ASN A 57 32.712 -10.425 3.963 1.00 14.01 C ATOM 817 OD1 ASN A 57 33.390 -11.141 4.699 1.00 65.41 O ATOM 818 ND2 ASN A 57 33.075 -9.192 3.628 1.00 21.34 N ATOM 0 H ASN A 57 32.970 -12.190 1.388 1.00 22.52 H new ATOM 0 HA ASN A 57 31.345 -13.048 3.699 1.00 20.24 H new ATOM 0 HB2 ASN A 57 31.089 -10.263 2.577 1.00 73.40 H new ATOM 0 HB3 ASN A 57 30.626 -10.866 4.156 1.00 73.40 H new ATOM 0 HD21 ASN A 57 33.948 -8.803 3.984 1.00 21.34 H new ATOM 0 HD22 ASN A 57 32.481 -8.634 3.014 1.00 21.34 H new ATOM 825 N ALA A 58 30.385 -13.819 1.284 1.00 23.41 N ATOM 826 CA ALA A 58 29.395 -14.187 0.280 1.00 60.42 C ATOM 827 C ALA A 58 28.502 -15.318 0.778 1.00 33.33 C ATOM 828 O ALA A 58 27.359 -15.458 0.342 1.00 42.00 O ATOM 829 CB ALA A 58 30.082 -14.588 -1.017 1.00 43.33 C ATOM 0 H ALA A 58 31.042 -14.563 1.521 1.00 23.41 H new ATOM 0 HA ALA A 58 28.765 -13.317 0.092 1.00 60.42 H new ATOM 0 HB1 ALA A 58 29.330 -14.860 -1.758 1.00 43.33 H new ATOM 0 HB2 ALA A 58 30.672 -13.751 -1.390 1.00 43.33 H new ATOM 0 HB3 ALA A 58 30.736 -15.440 -0.834 1.00 43.33 H new ATOM 835 N SER A 59 29.030 -16.124 1.694 1.00 2.21 N ATOM 836 CA SER A 59 28.282 -17.246 2.249 1.00 53.34 C ATOM 837 C SER A 59 26.953 -16.776 2.833 1.00 31.42 C ATOM 838 O SER A 59 25.921 -17.425 2.657 1.00 41.51 O ATOM 839 CB SER A 59 29.105 -17.952 3.327 1.00 22.31 C ATOM 840 OG SER A 59 30.302 -18.485 2.787 1.00 23.24 O ATOM 0 H SER A 59 29.973 -16.021 2.068 1.00 2.21 H new ATOM 0 HA SER A 59 28.076 -17.949 1.442 1.00 53.34 H new ATOM 0 HB2 SER A 59 29.344 -17.249 4.125 1.00 22.31 H new ATOM 0 HB3 SER A 59 28.515 -18.753 3.773 1.00 22.31 H new ATOM 0 HG SER A 59 30.811 -18.930 3.496 1.00 23.24 H new ATOM 846 N ASP A 60 26.987 -15.646 3.530 1.00 51.23 N ATOM 847 CA ASP A 60 25.786 -15.088 4.140 1.00 10.53 C ATOM 848 C ASP A 60 26.069 -13.713 4.737 1.00 12.54 C ATOM 849 O ASP A 60 27.114 -13.115 4.479 1.00 73.45 O ATOM 850 CB ASP A 60 25.254 -16.028 5.223 1.00 2.10 C ATOM 851 CG ASP A 60 23.748 -16.186 5.164 1.00 54.22 C ATOM 852 OD1 ASP A 60 23.251 -16.777 4.182 1.00 33.12 O ATOM 853 OD2 ASP A 60 23.065 -15.719 6.099 1.00 3.15 O ATOM 0 H ASP A 60 27.833 -15.098 3.687 1.00 51.23 H new ATOM 0 HA ASP A 60 25.030 -14.978 3.362 1.00 10.53 H new ATOM 0 HB2 ASP A 60 25.723 -17.006 5.114 1.00 2.10 H new ATOM 0 HB3 ASP A 60 25.538 -15.646 6.203 1.00 2.10 H new ATOM 858 N SER A 61 25.130 -13.216 5.537 1.00 43.43 N ATOM 859 CA SER A 61 25.276 -11.909 6.167 1.00 43.32 C ATOM 860 C SER A 61 26.631 -11.787 6.858 1.00 31.10 C ATOM 861 O SER A 61 27.399 -10.863 6.587 1.00 72.54 O ATOM 862 CB SER A 61 24.152 -11.678 7.179 1.00 62.34 C ATOM 863 OG SER A 61 24.630 -10.997 8.326 1.00 61.04 O ATOM 0 H SER A 61 24.261 -13.699 5.764 1.00 43.43 H new ATOM 0 HA SER A 61 25.215 -11.149 5.388 1.00 43.32 H new ATOM 0 HB2 SER A 61 23.354 -11.099 6.715 1.00 62.34 H new ATOM 0 HB3 SER A 61 23.721 -12.635 7.474 1.00 62.34 H new ATOM 0 HG SER A 61 23.997 -10.292 8.575 1.00 61.04 H new ATOM 869 N HIS A 62 26.918 -12.727 7.754 1.00 53.35 N ATOM 870 CA HIS A 62 28.180 -12.726 8.484 1.00 31.45 C ATOM 871 C HIS A 62 29.335 -13.135 7.575 1.00 74.02 C ATOM 872 O HIS A 62 29.233 -14.104 6.823 1.00 11.50 O ATOM 873 CB HIS A 62 28.100 -13.673 9.683 1.00 51.32 C ATOM 874 CG HIS A 62 28.161 -15.121 9.307 1.00 24.22 C ATOM 875 ND1 HIS A 62 27.051 -15.851 8.938 1.00 0.21 N ATOM 876 CD2 HIS A 62 29.209 -15.976 9.243 1.00 3.43 C ATOM 877 CE1 HIS A 62 27.413 -17.092 8.665 1.00 0.32 C ATOM 878 NE2 HIS A 62 28.718 -17.193 8.842 1.00 30.52 N ATOM 0 H HIS A 62 26.294 -13.498 7.991 1.00 53.35 H new ATOM 0 HA HIS A 62 28.364 -11.713 8.841 1.00 31.45 H new ATOM 0 HB2 HIS A 62 28.918 -13.449 10.368 1.00 51.32 H new ATOM 0 HB3 HIS A 62 27.172 -13.485 10.223 1.00 51.32 H new ATOM 0 HD2 HIS A 62 30.240 -15.743 9.466 1.00 3.43 H new ATOM 0 HE1 HIS A 62 26.754 -17.888 8.351 1.00 0.32 H new ATOM 0 HE2 HIS A 62 29.271 -18.039 8.703 1.00 30.52 H new ATOM 886 N GLY A 63 30.433 -12.389 7.648 1.00 13.25 N ATOM 887 CA GLY A 63 31.590 -12.689 6.826 1.00 40.20 C ATOM 888 C GLY A 63 32.731 -13.286 7.626 1.00 52.30 C ATOM 889 O GLY A 63 32.507 -14.050 8.566 1.00 51.40 O ATOM 0 H GLY A 63 30.542 -11.582 8.262 1.00 13.25 H new ATOM 0 HA2 GLY A 63 31.301 -13.384 6.037 1.00 40.20 H new ATOM 0 HA3 GLY A 63 31.931 -11.776 6.338 1.00 40.20 H new ATOM 893 N LEU A 64 33.958 -12.939 7.253 1.00 73.12 N ATOM 894 CA LEU A 64 35.139 -13.447 7.941 1.00 21.34 C ATOM 895 C LEU A 64 36.415 -12.887 7.320 1.00 14.03 C ATOM 896 O LEU A 64 36.993 -13.489 6.416 1.00 21.35 O ATOM 897 CB LEU A 64 35.164 -14.976 7.893 1.00 33.00 C ATOM 898 CG LEU A 64 34.914 -15.608 6.523 1.00 22.43 C ATOM 899 CD1 LEU A 64 35.945 -16.690 6.239 1.00 51.21 C ATOM 900 CD2 LEU A 64 33.505 -16.179 6.448 1.00 44.31 C ATOM 0 H LEU A 64 34.161 -12.308 6.478 1.00 73.12 H new ATOM 0 HA LEU A 64 35.090 -13.123 8.981 1.00 21.34 H new ATOM 0 HB2 LEU A 64 36.134 -15.315 8.256 1.00 33.00 H new ATOM 0 HB3 LEU A 64 34.414 -15.354 8.588 1.00 33.00 H new ATOM 0 HG LEU A 64 35.011 -14.833 5.763 1.00 22.43 H new ATOM 0 HD11 LEU A 64 35.752 -17.129 5.260 1.00 51.21 H new ATOM 0 HD12 LEU A 64 36.944 -16.253 6.250 1.00 51.21 H new ATOM 0 HD13 LEU A 64 35.879 -17.465 7.003 1.00 51.21 H new ATOM 0 HD21 LEU A 64 33.345 -16.625 5.466 1.00 44.31 H new ATOM 0 HD22 LEU A 64 33.380 -16.941 7.217 1.00 44.31 H new ATOM 0 HD23 LEU A 64 32.780 -15.381 6.607 1.00 44.31 H new ATOM 912 N ALA A 65 36.848 -11.731 7.813 1.00 63.41 N ATOM 913 CA ALA A 65 38.058 -11.092 7.309 1.00 34.04 C ATOM 914 C ALA A 65 39.307 -11.754 7.880 1.00 20.02 C ATOM 915 O ALA A 65 39.504 -11.787 9.095 1.00 52.01 O ATOM 916 CB ALA A 65 38.047 -9.607 7.641 1.00 75.13 C ATOM 0 H ALA A 65 36.380 -11.218 8.560 1.00 63.41 H new ATOM 0 HA ALA A 65 38.078 -11.211 6.226 1.00 34.04 H new ATOM 0 HB1 ALA A 65 38.956 -9.142 7.259 1.00 75.13 H new ATOM 0 HB2 ALA A 65 37.178 -9.138 7.180 1.00 75.13 H new ATOM 0 HB3 ALA A 65 37.999 -9.476 8.722 1.00 75.13 H new ATOM 922 N SER A 66 40.148 -12.281 6.996 1.00 23.03 N ATOM 923 CA SER A 66 41.377 -12.947 7.413 1.00 40.40 C ATOM 924 C SER A 66 42.601 -12.126 7.016 1.00 34.22 C ATOM 925 O SER A 66 42.726 -11.689 5.872 1.00 51.31 O ATOM 926 CB SER A 66 41.462 -14.342 6.792 1.00 34.44 C ATOM 927 OG SER A 66 42.513 -15.095 7.372 1.00 63.23 O ATOM 0 H SER A 66 40.001 -12.260 5.987 1.00 23.03 H new ATOM 0 HA SER A 66 41.360 -13.041 8.499 1.00 40.40 H new ATOM 0 HB2 SER A 66 40.516 -14.864 6.932 1.00 34.44 H new ATOM 0 HB3 SER A 66 41.622 -14.256 5.717 1.00 34.44 H new ATOM 0 HG SER A 66 42.545 -15.983 6.959 1.00 63.23 H new ATOM 933 N THR A 67 43.503 -11.921 7.971 1.00 13.10 N ATOM 934 CA THR A 67 44.716 -11.153 7.724 1.00 42.44 C ATOM 935 C THR A 67 45.935 -11.839 8.330 1.00 72.23 C ATOM 936 O THR A 67 45.934 -12.202 9.507 1.00 63.43 O ATOM 937 CB THR A 67 44.606 -9.727 8.298 1.00 74.54 C ATOM 938 OG1 THR A 67 45.886 -9.086 8.266 1.00 35.14 O ATOM 939 CG2 THR A 67 44.083 -9.758 9.726 1.00 71.41 C ATOM 0 H THR A 67 43.416 -12.277 8.923 1.00 13.10 H new ATOM 0 HA THR A 67 44.836 -11.093 6.642 1.00 42.44 H new ATOM 0 HB THR A 67 43.904 -9.164 7.683 1.00 74.54 H new ATOM 0 HG1 THR A 67 45.879 -8.375 7.592 1.00 35.14 H new ATOM 0 HG21 THR A 67 44.014 -8.740 10.110 1.00 71.41 H new ATOM 0 HG22 THR A 67 43.096 -10.220 9.742 1.00 71.41 H new ATOM 0 HG23 THR A 67 44.764 -10.336 10.350 1.00 71.41 H new ATOM 947 N LEU A 68 46.973 -12.014 7.520 1.00 62.02 N ATOM 948 CA LEU A 68 48.200 -12.657 7.977 1.00 63.11 C ATOM 949 C LEU A 68 49.409 -11.758 7.735 1.00 73.31 C ATOM 950 O LEU A 68 50.252 -12.050 6.888 1.00 32.30 O ATOM 951 CB LEU A 68 48.395 -13.996 7.262 1.00 14.45 C ATOM 952 CG LEU A 68 49.646 -14.786 7.646 1.00 2.32 C ATOM 953 CD1 LEU A 68 49.280 -15.975 8.521 1.00 53.33 C ATOM 954 CD2 LEU A 68 50.389 -15.246 6.400 1.00 31.44 C ATOM 0 H LEU A 68 46.990 -11.720 6.544 1.00 62.02 H new ATOM 0 HA LEU A 68 48.110 -12.834 9.049 1.00 63.11 H new ATOM 0 HB2 LEU A 68 47.522 -14.619 7.456 1.00 14.45 H new ATOM 0 HB3 LEU A 68 48.422 -13.811 6.188 1.00 14.45 H new ATOM 0 HG LEU A 68 50.305 -14.131 8.217 1.00 2.32 H new ATOM 0 HD11 LEU A 68 50.184 -16.525 8.784 1.00 53.33 H new ATOM 0 HD12 LEU A 68 48.793 -15.622 9.430 1.00 53.33 H new ATOM 0 HD13 LEU A 68 48.601 -16.632 7.977 1.00 53.33 H new ATOM 0 HD21 LEU A 68 51.277 -15.807 6.692 1.00 31.44 H new ATOM 0 HD22 LEU A 68 49.737 -15.884 5.802 1.00 31.44 H new ATOM 0 HD23 LEU A 68 50.686 -14.378 5.812 1.00 31.44 H new ATOM 966 N ASN A 69 49.486 -10.665 8.486 1.00 5.15 N ATOM 967 CA ASN A 69 50.593 -9.724 8.355 1.00 60.13 C ATOM 968 C ASN A 69 50.930 -9.089 9.700 1.00 2.03 C ATOM 969 O ASN A 69 50.238 -9.312 10.693 1.00 22.12 O ATOM 970 CB ASN A 69 50.246 -8.636 7.337 1.00 12.51 C ATOM 971 CG ASN A 69 49.357 -7.557 7.925 1.00 14.10 C ATOM 972 OD1 ASN A 69 48.177 -7.787 8.192 1.00 10.41 O ATOM 973 ND2 ASN A 69 49.920 -6.372 8.129 1.00 3.12 N ATOM 0 H ASN A 69 48.796 -10.409 9.192 1.00 5.15 H new ATOM 0 HA ASN A 69 51.466 -10.275 8.005 1.00 60.13 H new ATOM 0 HB2 ASN A 69 51.165 -8.183 6.966 1.00 12.51 H new ATOM 0 HB3 ASN A 69 49.745 -9.089 6.481 1.00 12.51 H new ATOM 0 HD21 ASN A 69 49.371 -5.607 8.522 1.00 3.12 H new ATOM 0 HD22 ASN A 69 50.902 -6.226 7.893 1.00 3.12 H new ATOM 980 N GLN A 70 51.997 -8.297 9.724 1.00 43.01 N ATOM 981 CA GLN A 70 52.426 -7.630 10.948 1.00 51.25 C ATOM 982 C GLN A 70 52.342 -6.114 10.799 1.00 25.20 C ATOM 983 O GLN A 70 53.360 -5.422 10.810 1.00 33.44 O ATOM 984 CB GLN A 70 53.855 -8.041 11.304 1.00 64.31 C ATOM 985 CG GLN A 70 54.038 -9.544 11.446 1.00 5.32 C ATOM 986 CD GLN A 70 55.347 -9.911 12.117 1.00 22.13 C ATOM 987 OE1 GLN A 70 56.257 -10.444 11.481 1.00 54.35 O ATOM 988 NE2 GLN A 70 55.450 -9.628 13.411 1.00 54.14 N ATOM 0 H GLN A 70 52.580 -8.101 8.910 1.00 43.01 H new ATOM 0 HA GLN A 70 51.757 -7.936 11.752 1.00 51.25 H new ATOM 0 HB2 GLN A 70 54.533 -7.672 10.534 1.00 64.31 H new ATOM 0 HB3 GLN A 70 54.141 -7.559 12.239 1.00 64.31 H new ATOM 0 HG2 GLN A 70 53.210 -9.954 12.024 1.00 5.32 H new ATOM 0 HG3 GLN A 70 53.998 -10.006 10.460 1.00 5.32 H new ATOM 0 HE21 GLN A 70 54.672 -9.186 13.900 1.00 54.14 H new ATOM 0 HE22 GLN A 70 56.308 -9.853 13.916 1.00 54.14 H new ATOM 997 N GLY A 71 51.122 -5.604 10.659 1.00 25.22 N ATOM 998 CA GLY A 71 50.929 -4.174 10.510 1.00 40.31 C ATOM 999 C GLY A 71 49.531 -3.734 10.898 1.00 62.12 C ATOM 1000 O GLY A 71 49.115 -3.905 12.043 1.00 60.23 O ATOM 0 H GLY A 71 50.264 -6.156 10.646 1.00 25.22 H new ATOM 0 HA2 GLY A 71 51.657 -3.646 11.126 1.00 40.31 H new ATOM 0 HA3 GLY A 71 51.122 -3.890 9.475 1.00 40.31 H new ATOM 1004 N ASN A 72 48.805 -3.164 9.942 1.00 60.24 N ATOM 1005 CA ASN A 72 47.446 -2.696 10.190 1.00 23.20 C ATOM 1006 C ASN A 72 46.493 -3.193 9.107 1.00 22.43 C ATOM 1007 O ASN A 72 46.914 -3.525 7.999 1.00 62.10 O ATOM 1008 CB ASN A 72 47.414 -1.168 10.251 1.00 41.21 C ATOM 1009 CG ASN A 72 47.560 -0.531 8.882 1.00 31.41 C ATOM 1010 OD1 ASN A 72 46.569 -0.244 8.210 1.00 1.34 O ATOM 1011 ND2 ASN A 72 48.800 -0.309 8.462 1.00 11.02 N ATOM 0 H ASN A 72 49.135 -3.015 8.988 1.00 60.24 H new ATOM 0 HA ASN A 72 47.119 -3.098 11.149 1.00 23.20 H new ATOM 0 HB2 ASN A 72 46.475 -0.845 10.701 1.00 41.21 H new ATOM 0 HB3 ASN A 72 48.216 -0.816 10.900 1.00 41.21 H new ATOM 0 HD21 ASN A 72 48.961 0.116 7.549 1.00 11.02 H new ATOM 0 HD22 ASN A 72 49.592 -0.563 9.053 1.00 11.02 H new ATOM 1018 N VAL A 73 45.206 -3.242 9.436 1.00 2.31 N ATOM 1019 CA VAL A 73 44.192 -3.696 8.492 1.00 64.41 C ATOM 1020 C VAL A 73 42.977 -2.777 8.506 1.00 55.20 C ATOM 1021 O VAL A 73 42.527 -2.339 9.565 1.00 21.24 O ATOM 1022 CB VAL A 73 43.738 -5.134 8.805 1.00 24.52 C ATOM 1023 CG1 VAL A 73 42.660 -5.579 7.828 1.00 25.04 C ATOM 1024 CG2 VAL A 73 44.925 -6.086 8.772 1.00 34.33 C ATOM 0 H VAL A 73 44.841 -2.973 10.350 1.00 2.31 H new ATOM 0 HA VAL A 73 44.649 -3.674 7.502 1.00 64.41 H new ATOM 0 HB VAL A 73 43.314 -5.152 9.809 1.00 24.52 H new ATOM 0 HG11 VAL A 73 42.352 -6.597 8.065 1.00 25.04 H new ATOM 0 HG12 VAL A 73 41.801 -4.913 7.906 1.00 25.04 H new ATOM 0 HG13 VAL A 73 43.054 -5.546 6.812 1.00 25.04 H new ATOM 0 HG21 VAL A 73 44.586 -7.098 8.995 1.00 34.33 H new ATOM 0 HG22 VAL A 73 45.380 -6.066 7.782 1.00 34.33 H new ATOM 0 HG23 VAL A 73 45.660 -5.777 9.515 1.00 34.33 H new ATOM 1034 N LYS A 74 42.447 -2.487 7.322 1.00 20.32 N ATOM 1035 CA LYS A 74 41.281 -1.621 7.196 1.00 1.24 C ATOM 1036 C LYS A 74 40.173 -2.311 6.407 1.00 43.44 C ATOM 1037 O LYS A 74 40.292 -2.512 5.198 1.00 52.11 O ATOM 1038 CB LYS A 74 41.667 -0.307 6.513 1.00 65.44 C ATOM 1039 CG LYS A 74 40.722 0.840 6.821 1.00 13.34 C ATOM 1040 CD LYS A 74 39.399 0.686 6.089 1.00 23.52 C ATOM 1041 CE LYS A 74 38.257 0.407 7.054 1.00 22.23 C ATOM 1042 NZ LYS A 74 37.821 1.639 7.768 1.00 72.12 N ATOM 0 H LYS A 74 42.807 -2.840 6.435 1.00 20.32 H new ATOM 0 HA LYS A 74 40.909 -1.406 8.198 1.00 1.24 H new ATOM 0 HB2 LYS A 74 42.675 -0.029 6.822 1.00 65.44 H new ATOM 0 HB3 LYS A 74 41.696 -0.463 5.435 1.00 65.44 H new ATOM 0 HG2 LYS A 74 40.541 0.885 7.895 1.00 13.34 H new ATOM 0 HG3 LYS A 74 41.188 1.783 6.536 1.00 13.34 H new ATOM 0 HD2 LYS A 74 39.186 1.594 5.525 1.00 23.52 H new ATOM 0 HD3 LYS A 74 39.474 -0.127 5.367 1.00 23.52 H new ATOM 0 HE2 LYS A 74 37.413 -0.013 6.507 1.00 22.23 H new ATOM 0 HE3 LYS A 74 38.571 -0.342 7.781 1.00 22.23 H new ATOM 0 HZ1 LYS A 74 37.041 1.407 8.416 1.00 72.12 H new ATOM 0 HZ2 LYS A 74 38.619 2.026 8.311 1.00 72.12 H new ATOM 0 HZ3 LYS A 74 37.498 2.345 7.076 1.00 72.12 H new ATOM 1056 N VAL A 75 39.096 -2.670 7.097 1.00 12.33 N ATOM 1057 CA VAL A 75 37.966 -3.335 6.460 1.00 55.52 C ATOM 1058 C VAL A 75 36.762 -2.403 6.365 1.00 63.21 C ATOM 1059 O VAL A 75 36.295 -1.869 7.371 1.00 33.34 O ATOM 1060 CB VAL A 75 37.557 -4.606 7.226 1.00 22.45 C ATOM 1061 CG1 VAL A 75 36.553 -5.417 6.421 1.00 43.34 C ATOM 1062 CG2 VAL A 75 38.783 -5.442 7.562 1.00 70.40 C ATOM 0 H VAL A 75 38.982 -2.511 8.098 1.00 12.33 H new ATOM 0 HA VAL A 75 38.288 -3.613 5.456 1.00 55.52 H new ATOM 0 HB VAL A 75 37.080 -4.308 8.160 1.00 22.45 H new ATOM 0 HG11 VAL A 75 36.276 -6.311 6.979 1.00 43.34 H new ATOM 0 HG12 VAL A 75 35.663 -4.815 6.236 1.00 43.34 H new ATOM 0 HG13 VAL A 75 36.999 -5.707 5.469 1.00 43.34 H new ATOM 0 HG21 VAL A 75 38.476 -6.337 8.103 1.00 70.40 H new ATOM 0 HG22 VAL A 75 39.290 -5.731 6.641 1.00 70.40 H new ATOM 0 HG23 VAL A 75 39.463 -4.858 8.182 1.00 70.40 H new ATOM 1072 N THR A 76 36.263 -2.212 5.147 1.00 4.25 N ATOM 1073 CA THR A 76 35.115 -1.344 4.920 1.00 74.30 C ATOM 1074 C THR A 76 34.202 -1.912 3.839 1.00 65.23 C ATOM 1075 O THR A 76 34.672 -2.477 2.851 1.00 12.02 O ATOM 1076 CB THR A 76 35.554 0.074 4.512 1.00 41.51 C ATOM 1077 OG1 THR A 76 36.961 0.094 4.247 1.00 41.33 O ATOM 1078 CG2 THR A 76 35.225 1.079 5.606 1.00 31.31 C ATOM 0 H THR A 76 36.636 -2.647 4.303 1.00 4.25 H new ATOM 0 HA THR A 76 34.569 -1.290 5.862 1.00 74.30 H new ATOM 0 HB THR A 76 35.010 0.353 3.609 1.00 41.51 H new ATOM 0 HG1 THR A 76 37.232 0.999 3.986 1.00 41.33 H new ATOM 0 HG21 THR A 76 35.545 2.073 5.295 1.00 31.31 H new ATOM 0 HG22 THR A 76 34.150 1.083 5.785 1.00 31.31 H new ATOM 0 HG23 THR A 76 35.745 0.802 6.523 1.00 31.31 H new ATOM 1086 N ALA A 77 32.897 -1.758 4.032 1.00 74.14 N ATOM 1087 CA ALA A 77 31.919 -2.253 3.071 1.00 72.51 C ATOM 1088 C ALA A 77 30.677 -1.369 3.046 1.00 32.11 C ATOM 1089 O ALA A 77 30.314 -0.764 4.055 1.00 73.12 O ATOM 1090 CB ALA A 77 31.539 -3.690 3.397 1.00 24.41 C ATOM 0 H ALA A 77 32.492 -1.294 4.845 1.00 74.14 H new ATOM 0 HA ALA A 77 32.374 -2.224 2.081 1.00 72.51 H new ATOM 0 HB1 ALA A 77 30.808 -4.047 2.671 1.00 24.41 H new ATOM 0 HB2 ALA A 77 32.428 -4.320 3.356 1.00 24.41 H new ATOM 0 HB3 ALA A 77 31.109 -3.735 4.397 1.00 24.41 H new ATOM 1096 N SER A 78 30.030 -1.298 1.887 1.00 14.13 N ATOM 1097 CA SER A 78 28.830 -0.483 1.730 1.00 23.33 C ATOM 1098 C SER A 78 27.780 -1.217 0.902 1.00 33.24 C ATOM 1099 O SER A 78 28.098 -1.847 -0.107 1.00 11.41 O ATOM 1100 CB SER A 78 29.178 0.851 1.067 1.00 33.04 C ATOM 1101 OG SER A 78 28.027 1.666 0.928 1.00 51.11 O ATOM 0 H SER A 78 30.316 -1.795 1.043 1.00 14.13 H new ATOM 0 HA SER A 78 28.418 -0.292 2.721 1.00 23.33 H new ATOM 0 HB2 SER A 78 29.927 1.372 1.663 1.00 33.04 H new ATOM 0 HB3 SER A 78 29.620 0.670 0.087 1.00 33.04 H new ATOM 0 HG SER A 78 28.276 2.514 0.503 1.00 51.11 H new ATOM 1107 N ILE A 79 26.527 -1.131 1.337 1.00 21.12 N ATOM 1108 CA ILE A 79 25.429 -1.786 0.637 1.00 42.54 C ATOM 1109 C ILE A 79 24.201 -0.884 0.576 1.00 34.24 C ATOM 1110 O ILE A 79 23.555 -0.629 1.592 1.00 51.41 O ATOM 1111 CB ILE A 79 25.044 -3.115 1.311 1.00 31.32 C ATOM 1112 CG1 ILE A 79 23.791 -3.700 0.656 1.00 31.33 C ATOM 1113 CG2 ILE A 79 24.821 -2.908 2.802 1.00 65.12 C ATOM 1114 CD1 ILE A 79 23.525 -5.139 1.039 1.00 32.30 C ATOM 0 H ILE A 79 26.247 -0.614 2.171 1.00 21.12 H new ATOM 0 HA ILE A 79 25.777 -1.990 -0.375 1.00 42.54 H new ATOM 0 HB ILE A 79 25.863 -3.822 1.181 1.00 31.32 H new ATOM 0 HG12 ILE A 79 22.929 -3.093 0.933 1.00 31.33 H new ATOM 0 HG13 ILE A 79 23.892 -3.634 -0.427 1.00 31.33 H new ATOM 0 HG21 ILE A 79 24.549 -3.857 3.264 1.00 65.12 H new ATOM 0 HG22 ILE A 79 25.736 -2.531 3.258 1.00 65.12 H new ATOM 0 HG23 ILE A 79 24.017 -2.188 2.953 1.00 65.12 H new ATOM 0 HD11 ILE A 79 22.622 -5.488 0.538 1.00 32.30 H new ATOM 0 HD12 ILE A 79 24.370 -5.758 0.737 1.00 32.30 H new ATOM 0 HD13 ILE A 79 23.391 -5.209 2.118 1.00 32.30 H new ATOM 1126 N GLY A 80 23.882 -0.406 -0.623 1.00 30.22 N ATOM 1127 CA GLY A 80 22.730 0.460 -0.794 1.00 3.10 C ATOM 1128 C GLY A 80 22.929 1.822 -0.158 1.00 65.33 C ATOM 1129 O GLY A 80 23.951 2.472 -0.375 1.00 53.41 O ATOM 0 H GLY A 80 24.401 -0.603 -1.479 1.00 30.22 H new ATOM 0 HA2 GLY A 80 22.528 0.585 -1.858 1.00 3.10 H new ATOM 0 HA3 GLY A 80 21.853 -0.017 -0.357 1.00 3.10 H new ATOM 1133 N GLY A 81 21.949 2.255 0.629 1.00 61.03 N ATOM 1134 CA GLY A 81 22.040 3.547 1.284 1.00 20.52 C ATOM 1135 C GLY A 81 22.673 3.456 2.659 1.00 72.14 C ATOM 1136 O GLY A 81 22.559 4.380 3.464 1.00 54.52 O ATOM 0 H GLY A 81 21.094 1.734 0.825 1.00 61.03 H new ATOM 0 HA2 GLY A 81 22.624 4.226 0.663 1.00 20.52 H new ATOM 0 HA3 GLY A 81 21.042 3.976 1.374 1.00 20.52 H new ATOM 1140 N ILE A 82 23.340 2.339 2.928 1.00 2.14 N ATOM 1141 CA ILE A 82 23.993 2.132 4.215 1.00 35.43 C ATOM 1142 C ILE A 82 25.346 1.451 4.042 1.00 30.21 C ATOM 1143 O ILE A 82 25.570 0.732 3.068 1.00 15.24 O ATOM 1144 CB ILE A 82 23.120 1.282 5.158 1.00 1.12 C ATOM 1145 CG1 ILE A 82 21.684 1.811 5.175 1.00 64.34 C ATOM 1146 CG2 ILE A 82 23.705 1.279 6.563 1.00 44.55 C ATOM 1147 CD1 ILE A 82 20.783 1.144 4.159 1.00 64.11 C ATOM 0 H ILE A 82 23.443 1.564 2.273 1.00 2.14 H new ATOM 0 HA ILE A 82 24.139 3.118 4.657 1.00 35.43 H new ATOM 0 HB ILE A 82 23.105 0.256 4.789 1.00 1.12 H new ATOM 0 HG12 ILE A 82 21.264 1.668 6.171 1.00 64.34 H new ATOM 0 HG13 ILE A 82 21.698 2.885 4.987 1.00 64.34 H new ATOM 0 HG21 ILE A 82 23.077 0.674 7.217 1.00 44.55 H new ATOM 0 HG22 ILE A 82 24.711 0.860 6.537 1.00 44.55 H new ATOM 0 HG23 ILE A 82 23.746 2.300 6.942 1.00 44.55 H new ATOM 0 HD11 ILE A 82 19.781 1.568 4.227 1.00 64.11 H new ATOM 0 HD12 ILE A 82 21.179 1.309 3.157 1.00 64.11 H new ATOM 0 HD13 ILE A 82 20.738 0.074 4.360 1.00 64.11 H new ATOM 1159 N GLN A 83 26.244 1.681 4.994 1.00 2.12 N ATOM 1160 CA GLN A 83 27.576 1.089 4.947 1.00 33.41 C ATOM 1161 C GLN A 83 28.166 0.964 6.348 1.00 71.32 C ATOM 1162 O GLN A 83 27.701 1.607 7.288 1.00 72.41 O ATOM 1163 CB GLN A 83 28.500 1.929 4.064 1.00 10.14 C ATOM 1164 CG GLN A 83 28.972 3.213 4.727 1.00 11.30 C ATOM 1165 CD GLN A 83 29.881 4.032 3.832 1.00 54.34 C ATOM 1166 OE1 GLN A 83 29.477 4.473 2.755 1.00 1.31 O ATOM 1167 NE2 GLN A 83 31.116 4.241 4.273 1.00 74.53 N ATOM 0 H GLN A 83 26.074 2.273 5.807 1.00 2.12 H new ATOM 0 HA GLN A 83 27.487 0.090 4.520 1.00 33.41 H new ATOM 0 HB2 GLN A 83 29.369 1.331 3.789 1.00 10.14 H new ATOM 0 HB3 GLN A 83 27.979 2.177 3.140 1.00 10.14 H new ATOM 0 HG2 GLN A 83 28.106 3.813 5.005 1.00 11.30 H new ATOM 0 HG3 GLN A 83 29.500 2.969 5.649 1.00 11.30 H new ATOM 0 HE21 GLN A 83 31.409 3.857 5.171 1.00 74.53 H new ATOM 0 HE22 GLN A 83 31.772 4.786 3.713 1.00 74.53 H new ATOM 1176 N GLY A 84 29.194 0.131 6.480 1.00 60.24 N ATOM 1177 CA GLY A 84 29.831 -0.064 7.769 1.00 14.41 C ATOM 1178 C GLY A 84 31.327 0.170 7.718 1.00 44.30 C ATOM 1179 O GLY A 84 31.926 0.170 6.643 1.00 62.55 O ATOM 0 H GLY A 84 29.597 -0.412 5.717 1.00 60.24 H new ATOM 0 HA2 GLY A 84 29.385 0.613 8.497 1.00 14.41 H new ATOM 0 HA3 GLY A 84 29.637 -1.079 8.117 1.00 14.41 H new ATOM 1183 N SER A 85 31.933 0.373 8.884 1.00 64.24 N ATOM 1184 CA SER A 85 33.369 0.615 8.967 1.00 71.21 C ATOM 1185 C SER A 85 33.951 -0.003 10.235 1.00 43.24 C ATOM 1186 O SER A 85 33.351 0.069 11.308 1.00 41.24 O ATOM 1187 CB SER A 85 33.657 2.117 8.939 1.00 13.23 C ATOM 1188 OG SER A 85 33.104 2.763 10.073 1.00 50.20 O ATOM 0 H SER A 85 31.452 0.375 9.784 1.00 64.24 H new ATOM 0 HA SER A 85 33.842 0.146 8.104 1.00 71.21 H new ATOM 0 HB2 SER A 85 34.734 2.284 8.911 1.00 13.23 H new ATOM 0 HB3 SER A 85 33.243 2.553 8.030 1.00 13.23 H new ATOM 0 HG SER A 85 33.303 3.722 10.033 1.00 50.20 H new ATOM 1194 N THR A 86 35.126 -0.611 10.103 1.00 22.13 N ATOM 1195 CA THR A 86 35.791 -1.243 11.236 1.00 14.22 C ATOM 1196 C THR A 86 37.305 -1.100 11.135 1.00 71.00 C ATOM 1197 O THR A 86 37.855 -0.985 10.040 1.00 63.02 O ATOM 1198 CB THR A 86 35.433 -2.738 11.335 1.00 12.20 C ATOM 1199 OG1 THR A 86 36.330 -3.398 12.235 1.00 41.22 O ATOM 1200 CG2 THR A 86 35.498 -3.401 9.968 1.00 63.52 C ATOM 0 H THR A 86 35.637 -0.679 9.223 1.00 22.13 H new ATOM 0 HA THR A 86 35.440 -0.733 12.133 1.00 14.22 H new ATOM 0 HB THR A 86 34.414 -2.821 11.713 1.00 12.20 H new ATOM 0 HG1 THR A 86 36.034 -3.252 13.158 1.00 41.22 H new ATOM 0 HG21 THR A 86 35.241 -4.456 10.063 1.00 63.52 H new ATOM 0 HG22 THR A 86 34.792 -2.915 9.294 1.00 63.52 H new ATOM 0 HG23 THR A 86 36.507 -3.308 9.566 1.00 63.52 H new ATOM 1208 N ASP A 87 37.973 -1.109 12.283 1.00 2.20 N ATOM 1209 CA ASP A 87 39.425 -0.982 12.323 1.00 24.04 C ATOM 1210 C ASP A 87 40.060 -2.208 12.972 1.00 62.32 C ATOM 1211 O ASP A 87 39.694 -2.596 14.082 1.00 61.25 O ATOM 1212 CB ASP A 87 39.827 0.280 13.088 1.00 45.21 C ATOM 1213 CG ASP A 87 41.271 0.242 13.551 1.00 74.42 C ATOM 1214 OD1 ASP A 87 42.136 -0.190 12.761 1.00 62.33 O ATOM 1215 OD2 ASP A 87 41.535 0.644 14.703 1.00 54.21 O ATOM 0 H ASP A 87 37.532 -1.203 13.198 1.00 2.20 H new ATOM 0 HA ASP A 87 39.787 -0.907 11.297 1.00 24.04 H new ATOM 0 HB2 ASP A 87 39.676 1.151 12.451 1.00 45.21 H new ATOM 0 HB3 ASP A 87 39.174 0.400 13.953 1.00 45.21 H new ATOM 1220 N PHE A 88 41.013 -2.815 12.272 1.00 74.34 N ATOM 1221 CA PHE A 88 41.697 -3.999 12.778 1.00 61.20 C ATOM 1222 C PHE A 88 43.210 -3.800 12.765 1.00 72.11 C ATOM 1223 O PHE A 88 43.777 -3.325 11.781 1.00 50.21 O ATOM 1224 CB PHE A 88 41.326 -5.226 11.942 1.00 15.21 C ATOM 1225 CG PHE A 88 40.367 -6.154 12.632 1.00 11.52 C ATOM 1226 CD1 PHE A 88 39.204 -5.667 13.207 1.00 1.25 C ATOM 1227 CD2 PHE A 88 40.628 -7.512 12.705 1.00 22.22 C ATOM 1228 CE1 PHE A 88 38.321 -6.518 13.844 1.00 72.33 C ATOM 1229 CE2 PHE A 88 39.748 -8.369 13.340 1.00 43.31 C ATOM 1230 CZ PHE A 88 38.593 -7.871 13.909 1.00 75.00 C ATOM 0 H PHE A 88 41.329 -2.506 11.353 1.00 74.34 H new ATOM 0 HA PHE A 88 41.377 -4.160 13.808 1.00 61.20 H new ATOM 0 HB2 PHE A 88 40.886 -4.895 11.001 1.00 15.21 H new ATOM 0 HB3 PHE A 88 42.235 -5.774 11.693 1.00 15.21 H new ATOM 0 HD1 PHE A 88 38.985 -4.611 13.157 1.00 1.25 H new ATOM 0 HD2 PHE A 88 41.530 -7.907 12.261 1.00 22.22 H new ATOM 0 HE1 PHE A 88 37.419 -6.126 14.291 1.00 72.33 H new ATOM 0 HE2 PHE A 88 39.964 -9.426 13.391 1.00 43.31 H new ATOM 0 HZ PHE A 88 37.903 -8.538 14.404 1.00 75.00 H new ATOM 1240 N LYS A 89 43.858 -4.167 13.865 1.00 2.33 N ATOM 1241 CA LYS A 89 45.305 -4.030 13.983 1.00 61.13 C ATOM 1242 C LYS A 89 45.958 -5.379 14.265 1.00 31.44 C ATOM 1243 O LYS A 89 45.726 -5.986 15.311 1.00 14.34 O ATOM 1244 CB LYS A 89 45.656 -3.039 15.095 1.00 51.13 C ATOM 1245 CG LYS A 89 45.814 -1.609 14.607 1.00 20.04 C ATOM 1246 CD LYS A 89 46.986 -0.916 15.283 1.00 72.25 C ATOM 1247 CE LYS A 89 46.665 -0.556 16.725 1.00 34.30 C ATOM 1248 NZ LYS A 89 46.614 0.918 16.931 1.00 75.33 N ATOM 0 H LYS A 89 43.404 -4.562 14.688 1.00 2.33 H new ATOM 0 HA LYS A 89 45.687 -3.652 13.035 1.00 61.13 H new ATOM 0 HB2 LYS A 89 44.877 -3.070 15.857 1.00 51.13 H new ATOM 0 HB3 LYS A 89 46.583 -3.356 15.573 1.00 51.13 H new ATOM 0 HG2 LYS A 89 45.962 -1.606 13.527 1.00 20.04 H new ATOM 0 HG3 LYS A 89 44.898 -1.053 14.805 1.00 20.04 H new ATOM 0 HD2 LYS A 89 47.860 -1.567 15.255 1.00 72.25 H new ATOM 0 HD3 LYS A 89 47.244 -0.013 14.730 1.00 72.25 H new ATOM 0 HE2 LYS A 89 45.707 -0.995 17.004 1.00 34.30 H new ATOM 0 HE3 LYS A 89 47.418 -0.989 17.384 1.00 34.30 H new ATOM 0 HZ1 LYS A 89 46.393 1.122 17.926 1.00 75.33 H new ATOM 0 HZ2 LYS A 89 47.536 1.334 16.689 1.00 75.33 H new ATOM 0 HZ3 LYS A 89 45.878 1.328 16.322 1.00 75.33 H new ATOM 1262 N VAL A 90 46.777 -5.844 13.327 1.00 52.21 N ATOM 1263 CA VAL A 90 47.465 -7.120 13.477 1.00 63.34 C ATOM 1264 C VAL A 90 48.917 -6.916 13.894 1.00 44.22 C ATOM 1265 O VAL A 90 49.719 -6.360 13.142 1.00 22.02 O ATOM 1266 CB VAL A 90 47.428 -7.935 12.170 1.00 51.21 C ATOM 1267 CG1 VAL A 90 46.025 -8.462 11.909 1.00 41.31 C ATOM 1268 CG2 VAL A 90 47.915 -7.090 11.002 1.00 30.31 C ATOM 0 H VAL A 90 46.980 -5.356 12.455 1.00 52.21 H new ATOM 0 HA VAL A 90 46.940 -7.672 14.256 1.00 63.34 H new ATOM 0 HB VAL A 90 48.097 -8.789 12.275 1.00 51.21 H new ATOM 0 HG11 VAL A 90 46.018 -9.035 10.982 1.00 41.31 H new ATOM 0 HG12 VAL A 90 45.718 -9.104 12.735 1.00 41.31 H new ATOM 0 HG13 VAL A 90 45.332 -7.625 11.823 1.00 41.31 H new ATOM 0 HG21 VAL A 90 47.882 -7.681 10.087 1.00 30.31 H new ATOM 0 HG22 VAL A 90 47.273 -6.216 10.893 1.00 30.31 H new ATOM 0 HG23 VAL A 90 48.939 -6.767 11.189 1.00 30.31 H new ATOM 1278 N THR A 91 49.251 -7.369 15.098 1.00 31.42 N ATOM 1279 CA THR A 91 50.606 -7.236 15.617 1.00 64.04 C ATOM 1280 C THR A 91 51.100 -8.551 16.209 1.00 2.23 C ATOM 1281 O THR A 91 50.305 -9.430 16.539 1.00 70.44 O ATOM 1282 CB THR A 91 50.691 -6.137 16.693 1.00 73.22 C ATOM 1283 OG1 THR A 91 49.526 -6.177 17.525 1.00 4.44 O ATOM 1284 CG2 THR A 91 50.817 -4.762 16.054 1.00 61.52 C ATOM 0 H THR A 91 48.600 -7.832 15.733 1.00 31.42 H new ATOM 0 HA THR A 91 51.240 -6.959 14.775 1.00 64.04 H new ATOM 0 HB THR A 91 51.578 -6.320 17.300 1.00 73.22 H new ATOM 0 HG1 THR A 91 49.588 -5.477 18.208 1.00 4.44 H new ATOM 0 HG21 THR A 91 50.875 -4.002 16.834 1.00 61.52 H new ATOM 0 HG22 THR A 91 51.719 -4.726 15.444 1.00 61.52 H new ATOM 0 HG23 THR A 91 49.947 -4.571 15.426 1.00 61.52 H new ATOM 1292 N GLN A 92 52.417 -8.677 16.343 1.00 74.14 N ATOM 1293 CA GLN A 92 53.015 -9.886 16.896 1.00 3.22 C ATOM 1294 C GLN A 92 52.615 -11.113 16.084 1.00 43.24 C ATOM 1295 O GLN A 92 53.080 -12.223 16.346 1.00 41.23 O ATOM 1296 CB GLN A 92 52.594 -10.067 18.356 1.00 43.44 C ATOM 1297 CG GLN A 92 53.580 -9.477 19.351 1.00 45.21 C ATOM 1298 CD GLN A 92 53.147 -9.677 20.790 1.00 45.21 C ATOM 1299 OE1 GLN A 92 52.444 -8.842 21.360 1.00 25.35 O ATOM 1300 NE2 GLN A 92 53.566 -10.788 21.385 1.00 13.43 N ATOM 0 H GLN A 92 53.089 -7.957 16.076 1.00 74.14 H new ATOM 0 HA GLN A 92 54.099 -9.779 16.848 1.00 3.22 H new ATOM 0 HB2 GLN A 92 51.619 -9.603 18.505 1.00 43.44 H new ATOM 0 HB3 GLN A 92 52.475 -11.131 18.562 1.00 43.44 H new ATOM 0 HG2 GLN A 92 54.558 -9.935 19.203 1.00 45.21 H new ATOM 0 HG3 GLN A 92 53.694 -8.411 19.155 1.00 45.21 H new ATOM 0 HE21 GLN A 92 54.147 -11.452 20.874 1.00 13.43 H new ATOM 0 HE22 GLN A 92 53.307 -10.977 22.353 1.00 13.43 H new TER 1309 GLN A 92