USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 623 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 44 THR OG1 : rot 110:sc= 0.24 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0.198 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -35:sc= -0.269 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -59:sc= 0.251 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.93 X(o=-0.93,f=-0.8) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -82:sc= 1.07 USER MOD Single : A 34 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.75) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.17! C(o=-5.2!,f=-2.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 81:sc= -0.732 USER MOD Single : A 42 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.33) USER MOD Single : A 47 SER OG : rot -160:sc= -0.557 USER MOD Single : A 48 SER OG : rot -170:sc= -0.116 USER MOD Single : A 49 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.016) USER MOD Single : A 50 THR OG1 : rot -142:sc= 0.744 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= -1.62 K(o=-1.6,f=-5.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.131 USER MOD Single : A 62 HIS : no HD1:sc= -6.31! C(o=-6.3!,f=-5!) USER MOD Single : A 67 THR OG1 : rot -130:sc= -0.715 USER MOD Single : A 69 ASN : amide:sc= -3.49! C(o=-3.5!,f=-5.7!) USER MOD Single : A 70 GLN : amide:sc= -1.5 K(o=-1.5,f=-2) USER MOD Single : A 72 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.14) USER MOD Single : A 74 LYS NZ :NH3+ 144:sc= 0.476 (180deg=0.032) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 150:sc= -0.888 USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.147) 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 42 N ALA A 4 3.828 7.023 -3.576 1.00 15.13 N ATOM 43 CA ALA A 4 4.992 7.688 -4.147 1.00 51.30 C ATOM 44 C ALA A 4 4.775 9.195 -4.235 1.00 3.35 C ATOM 45 O ALA A 4 3.658 9.660 -4.466 1.00 21.13 O ATOM 46 CB ALA A 4 5.304 7.117 -5.522 1.00 51.34 C ATOM 0 HA ALA A 4 5.842 7.507 -3.489 1.00 51.30 H new ATOM 0 HB1 ALA A 4 6.176 7.623 -5.937 1.00 51.34 H new ATOM 0 HB2 ALA A 4 5.511 6.050 -5.435 1.00 51.34 H new ATOM 0 HB3 ALA A 4 4.449 7.268 -6.181 1.00 51.34 H new ATOM 52 N LEU A 5 5.849 9.954 -4.048 1.00 3.32 N ATOM 53 CA LEU A 5 5.777 11.410 -4.105 1.00 54.20 C ATOM 54 C LEU A 5 5.073 11.871 -5.378 1.00 21.33 C ATOM 55 O LEU A 5 4.843 11.080 -6.293 1.00 15.31 O ATOM 56 CB LEU A 5 7.181 12.014 -4.038 1.00 34.31 C ATOM 57 CG LEU A 5 8.025 11.892 -5.307 1.00 12.10 C ATOM 58 CD1 LEU A 5 7.925 10.488 -5.882 1.00 25.54 C ATOM 59 CD2 LEU A 5 7.590 12.924 -6.338 1.00 22.15 C ATOM 0 H LEU A 5 6.780 9.585 -3.856 1.00 3.32 H new ATOM 0 HA LEU A 5 5.199 11.754 -3.247 1.00 54.20 H new ATOM 0 HB2 LEU A 5 7.089 13.071 -3.787 1.00 34.31 H new ATOM 0 HB3 LEU A 5 7.721 11.538 -3.219 1.00 34.31 H new ATOM 0 HG LEU A 5 9.066 12.083 -5.047 1.00 12.10 H new ATOM 0 HD11 LEU A 5 8.532 10.420 -6.785 1.00 25.54 H new ATOM 0 HD12 LEU A 5 8.285 9.768 -5.148 1.00 25.54 H new ATOM 0 HD13 LEU A 5 6.886 10.268 -6.127 1.00 25.54 H new ATOM 0 HD21 LEU A 5 8.201 12.823 -7.235 1.00 22.15 H new ATOM 0 HD22 LEU A 5 6.542 12.764 -6.593 1.00 22.15 H new ATOM 0 HD23 LEU A 5 7.714 13.925 -5.925 1.00 22.15 H new ATOM 71 N VAL A 6 4.736 13.156 -5.430 1.00 21.53 N ATOM 72 CA VAL A 6 4.062 13.723 -6.592 1.00 20.45 C ATOM 73 C VAL A 6 4.417 15.195 -6.769 1.00 23.51 C ATOM 74 O VAL A 6 4.855 15.613 -7.840 1.00 42.34 O ATOM 75 CB VAL A 6 2.532 13.586 -6.475 1.00 63.53 C ATOM 76 CG1 VAL A 6 1.847 14.204 -7.684 1.00 62.13 C ATOM 77 CG2 VAL A 6 2.139 12.124 -6.319 1.00 1.32 C ATOM 0 H VAL A 6 4.919 13.824 -4.681 1.00 21.53 H new ATOM 0 HA VAL A 6 4.405 13.162 -7.462 1.00 20.45 H new ATOM 0 HB VAL A 6 2.203 14.124 -5.586 1.00 63.53 H new ATOM 0 HG11 VAL A 6 0.767 14.098 -7.584 1.00 62.13 H new ATOM 0 HG12 VAL A 6 2.103 15.262 -7.746 1.00 62.13 H new ATOM 0 HG13 VAL A 6 2.179 13.696 -8.589 1.00 62.13 H new ATOM 0 HG21 VAL A 6 1.055 12.045 -6.238 1.00 1.32 H new ATOM 0 HG22 VAL A 6 2.480 11.561 -7.188 1.00 1.32 H new ATOM 0 HG23 VAL A 6 2.601 11.717 -5.419 1.00 1.32 H new ATOM 87 N SER A 7 4.226 15.975 -5.710 1.00 42.54 N ATOM 88 CA SER A 7 4.523 17.403 -5.750 1.00 25.53 C ATOM 89 C SER A 7 4.671 17.966 -4.339 1.00 64.45 C ATOM 90 O SER A 7 4.435 17.268 -3.353 1.00 22.31 O ATOM 91 CB SER A 7 3.421 18.154 -6.498 1.00 41.22 C ATOM 92 OG SER A 7 3.021 17.449 -7.660 1.00 62.52 O ATOM 0 H SER A 7 3.867 15.643 -4.815 1.00 42.54 H new ATOM 0 HA SER A 7 5.467 17.538 -6.278 1.00 25.53 H new ATOM 0 HB2 SER A 7 2.563 18.295 -5.841 1.00 41.22 H new ATOM 0 HB3 SER A 7 3.777 19.146 -6.775 1.00 41.22 H new ATOM 0 HG SER A 7 3.797 16.998 -8.052 1.00 62.52 H new ATOM 98 N ILE A 8 5.064 19.232 -4.253 1.00 52.12 N ATOM 99 CA ILE A 8 5.242 19.890 -2.965 1.00 24.12 C ATOM 100 C ILE A 8 4.857 21.363 -3.042 1.00 4.42 C ATOM 101 O ILE A 8 4.904 21.973 -4.110 1.00 75.44 O ATOM 102 CB ILE A 8 6.697 19.776 -2.471 1.00 51.04 C ATOM 103 CG1 ILE A 8 7.609 20.691 -3.290 1.00 44.52 C ATOM 104 CG2 ILE A 8 7.173 18.333 -2.554 1.00 52.40 C ATOM 105 CD1 ILE A 8 7.814 22.055 -2.667 1.00 73.24 C ATOM 0 H ILE A 8 5.265 19.823 -5.060 1.00 52.12 H new ATOM 0 HA ILE A 8 4.586 19.382 -2.258 1.00 24.12 H new ATOM 0 HB ILE A 8 6.737 20.092 -1.429 1.00 51.04 H new ATOM 0 HG12 ILE A 8 8.578 20.208 -3.414 1.00 44.52 H new ATOM 0 HG13 ILE A 8 7.185 20.816 -4.286 1.00 44.52 H new ATOM 0 HG21 ILE A 8 8.202 18.269 -2.202 1.00 52.40 H new ATOM 0 HG22 ILE A 8 6.537 17.704 -1.932 1.00 52.40 H new ATOM 0 HG23 ILE A 8 7.121 17.992 -3.588 1.00 52.40 H new ATOM 0 HD11 ILE A 8 8.471 22.650 -3.302 1.00 73.24 H new ATOM 0 HD12 ILE A 8 6.852 22.558 -2.568 1.00 73.24 H new ATOM 0 HD13 ILE A 8 8.267 21.941 -1.682 1.00 73.24 H new ATOM 117 N SER A 9 4.479 21.931 -1.901 1.00 3.01 N ATOM 118 CA SER A 9 4.084 23.333 -1.839 1.00 3.31 C ATOM 119 C SER A 9 5.017 24.121 -0.924 1.00 24.40 C ATOM 120 O SER A 9 4.990 23.960 0.296 1.00 24.13 O ATOM 121 CB SER A 9 2.642 23.457 -1.344 1.00 50.40 C ATOM 122 OG SER A 9 2.031 24.635 -1.842 1.00 45.30 O ATOM 0 H SER A 9 4.438 21.441 -1.007 1.00 3.01 H new ATOM 0 HA SER A 9 4.153 23.749 -2.844 1.00 3.31 H new ATOM 0 HB2 SER A 9 2.069 22.585 -1.660 1.00 50.40 H new ATOM 0 HB3 SER A 9 2.628 23.469 -0.254 1.00 50.40 H new ATOM 0 HG SER A 9 1.110 24.690 -1.513 1.00 45.30 H new ATOM 128 N VAL A 10 5.843 24.973 -1.523 1.00 60.00 N ATOM 129 CA VAL A 10 6.785 25.787 -0.764 1.00 34.03 C ATOM 130 C VAL A 10 6.535 27.273 -0.992 1.00 53.42 C ATOM 131 O VAL A 10 6.331 27.712 -2.124 1.00 44.41 O ATOM 132 CB VAL A 10 8.241 25.459 -1.140 1.00 65.44 C ATOM 133 CG1 VAL A 10 8.688 24.167 -0.473 1.00 33.14 C ATOM 134 CG2 VAL A 10 8.393 25.367 -2.651 1.00 50.33 C ATOM 0 H VAL A 10 5.879 25.117 -2.532 1.00 60.00 H new ATOM 0 HA VAL A 10 6.629 25.552 0.289 1.00 34.03 H new ATOM 0 HB VAL A 10 8.880 26.265 -0.781 1.00 65.44 H new ATOM 0 HG11 VAL A 10 9.720 23.952 -0.751 1.00 33.14 H new ATOM 0 HG12 VAL A 10 8.618 24.273 0.610 1.00 33.14 H new ATOM 0 HG13 VAL A 10 8.046 23.348 -0.799 1.00 33.14 H new ATOM 0 HG21 VAL A 10 9.429 25.134 -2.899 1.00 50.33 H new ATOM 0 HG22 VAL A 10 7.743 24.581 -3.035 1.00 50.33 H new ATOM 0 HG23 VAL A 10 8.117 26.320 -3.103 1.00 50.33 H new ATOM 144 N SER A 11 6.552 28.044 0.091 1.00 51.14 N ATOM 145 CA SER A 11 6.324 29.482 0.009 1.00 11.11 C ATOM 146 C SER A 11 7.578 30.254 0.406 1.00 3.44 C ATOM 147 O SER A 11 7.638 30.893 1.457 1.00 2.40 O ATOM 148 CB SER A 11 5.156 29.886 0.910 1.00 15.52 C ATOM 149 OG SER A 11 4.998 31.294 0.940 1.00 1.51 O ATOM 0 H SER A 11 6.721 27.697 1.035 1.00 51.14 H new ATOM 0 HA SER A 11 6.079 29.728 -1.024 1.00 11.11 H new ATOM 0 HB2 SER A 11 4.238 29.422 0.550 1.00 15.52 H new ATOM 0 HB3 SER A 11 5.327 29.514 1.920 1.00 15.52 H new ATOM 0 HG SER A 11 5.821 31.708 1.274 1.00 1.51 H new ATOM 155 N PRO A 12 8.606 30.195 -0.454 1.00 12.13 N ATOM 156 CA PRO A 12 9.878 30.883 -0.216 1.00 22.15 C ATOM 157 C PRO A 12 9.747 32.398 -0.324 1.00 43.23 C ATOM 158 O PRO A 12 8.923 32.908 -1.084 1.00 14.24 O ATOM 159 CB PRO A 12 10.786 30.344 -1.324 1.00 32.30 C ATOM 160 CG PRO A 12 9.853 29.933 -2.411 1.00 4.02 C ATOM 161 CD PRO A 12 8.604 29.452 -1.725 1.00 44.43 C ATOM 0 HA PRO A 12 10.257 30.702 0.790 1.00 22.15 H new ATOM 0 HB2 PRO A 12 11.485 31.106 -1.669 1.00 32.30 H new ATOM 0 HB3 PRO A 12 11.381 29.501 -0.973 1.00 32.30 H new ATOM 0 HG2 PRO A 12 9.636 30.769 -3.076 1.00 4.02 H new ATOM 0 HG3 PRO A 12 10.290 29.144 -3.023 1.00 4.02 H new ATOM 0 HD2 PRO A 12 7.713 29.667 -2.315 1.00 44.43 H new ATOM 0 HD3 PRO A 12 8.625 28.375 -1.561 1.00 44.43 H new ATOM 169 N THR A 13 10.566 33.115 0.439 1.00 24.23 N ATOM 170 CA THR A 13 10.542 34.572 0.429 1.00 34.01 C ATOM 171 C THR A 13 11.861 35.141 -0.080 1.00 22.15 C ATOM 172 O THR A 13 12.898 35.002 0.568 1.00 41.42 O ATOM 173 CB THR A 13 10.259 35.139 1.833 1.00 35.22 C ATOM 174 OG1 THR A 13 8.993 34.664 2.307 1.00 5.12 O ATOM 175 CG2 THR A 13 10.260 36.660 1.813 1.00 31.10 C ATOM 0 H THR A 13 11.255 32.709 1.072 1.00 24.23 H new ATOM 0 HA THR A 13 9.738 34.870 -0.244 1.00 34.01 H new ATOM 0 HB THR A 13 11.049 34.800 2.504 1.00 35.22 H new ATOM 0 HG1 THR A 13 8.821 35.027 3.201 1.00 5.12 H new ATOM 0 HG21 THR A 13 10.058 37.037 2.815 1.00 31.10 H new ATOM 0 HG22 THR A 13 11.234 37.019 1.480 1.00 31.10 H new ATOM 0 HG23 THR A 13 9.489 37.015 1.129 1.00 31.10 H new ATOM 183 N ASN A 14 11.815 35.782 -1.243 1.00 14.02 N ATOM 184 CA ASN A 14 13.008 36.373 -1.838 1.00 72.54 C ATOM 185 C ASN A 14 13.099 37.860 -1.513 1.00 0.24 C ATOM 186 O ASN A 14 12.694 38.707 -2.309 1.00 61.44 O ATOM 187 CB ASN A 14 12.999 36.171 -3.355 1.00 64.30 C ATOM 188 CG ASN A 14 12.786 34.721 -3.744 1.00 73.41 C ATOM 189 OD1 ASN A 14 11.699 34.171 -3.563 1.00 11.32 O ATOM 190 ND2 ASN A 14 13.825 34.093 -4.282 1.00 1.10 N ATOM 0 H ASN A 14 10.964 35.906 -1.792 1.00 14.02 H new ATOM 0 HA ASN A 14 13.880 35.873 -1.416 1.00 72.54 H new ATOM 0 HB2 ASN A 14 12.211 36.782 -3.795 1.00 64.30 H new ATOM 0 HB3 ASN A 14 13.944 36.521 -3.771 1.00 64.30 H new ATOM 0 HD21 ASN A 14 13.741 33.116 -4.563 1.00 1.10 H new ATOM 0 HD22 ASN A 14 14.707 34.587 -4.414 1.00 1.10 H new ATOM 197 N SER A 15 13.634 38.171 -0.336 1.00 43.14 N ATOM 198 CA SER A 15 13.776 39.556 0.097 1.00 43.33 C ATOM 199 C SER A 15 15.063 39.747 0.894 1.00 33.15 C ATOM 200 O SER A 15 15.914 38.859 0.945 1.00 63.34 O ATOM 201 CB SER A 15 12.572 39.974 0.942 1.00 13.42 C ATOM 202 OG SER A 15 12.217 41.323 0.692 1.00 11.44 O ATOM 0 H SER A 15 13.976 37.482 0.334 1.00 43.14 H new ATOM 0 HA SER A 15 13.823 40.186 -0.791 1.00 43.33 H new ATOM 0 HB2 SER A 15 11.725 39.325 0.720 1.00 13.42 H new ATOM 0 HB3 SER A 15 12.804 39.846 1.999 1.00 13.42 H new ATOM 0 HG SER A 15 11.444 41.565 1.243 1.00 11.44 H new ATOM 208 N THR A 16 15.197 40.913 1.518 1.00 5.23 N ATOM 209 CA THR A 16 16.379 41.223 2.313 1.00 63.20 C ATOM 210 C THR A 16 16.019 41.420 3.781 1.00 55.11 C ATOM 211 O THR A 16 14.903 41.825 4.107 1.00 34.34 O ATOM 212 CB THR A 16 17.088 42.489 1.796 1.00 63.33 C ATOM 213 OG1 THR A 16 18.072 42.920 2.742 1.00 4.31 O ATOM 214 CG2 THR A 16 16.087 43.608 1.551 1.00 23.22 C ATOM 0 H THR A 16 14.501 41.658 1.488 1.00 5.23 H new ATOM 0 HA THR A 16 17.054 40.373 2.218 1.00 63.20 H new ATOM 0 HB THR A 16 17.575 42.246 0.852 1.00 63.33 H new ATOM 0 HG1 THR A 16 18.796 42.261 2.784 1.00 4.31 H new ATOM 0 HG21 THR A 16 16.611 44.492 1.186 1.00 23.22 H new ATOM 0 HG22 THR A 16 15.357 43.287 0.808 1.00 23.22 H new ATOM 0 HG23 THR A 16 15.575 43.849 2.483 1.00 23.22 H new ATOM 222 N VAL A 17 16.970 41.132 4.663 1.00 2.32 N ATOM 223 CA VAL A 17 16.753 41.280 6.097 1.00 0.14 C ATOM 224 C VAL A 17 17.943 41.960 6.766 1.00 35.32 C ATOM 225 O VAL A 17 19.069 41.886 6.276 1.00 31.31 O ATOM 226 CB VAL A 17 16.509 39.917 6.771 1.00 30.24 C ATOM 227 CG1 VAL A 17 17.778 39.079 6.756 1.00 22.42 C ATOM 228 CG2 VAL A 17 16.004 40.109 8.193 1.00 20.25 C ATOM 0 H VAL A 17 17.899 40.795 4.410 1.00 2.32 H new ATOM 0 HA VAL A 17 15.866 41.902 6.220 1.00 0.14 H new ATOM 0 HB VAL A 17 15.744 39.384 6.207 1.00 30.24 H new ATOM 0 HG11 VAL A 17 17.586 38.120 7.237 1.00 22.42 H new ATOM 0 HG12 VAL A 17 18.092 38.912 5.726 1.00 22.42 H new ATOM 0 HG13 VAL A 17 18.567 39.604 7.295 1.00 22.42 H new ATOM 0 HG21 VAL A 17 15.837 39.136 8.654 1.00 20.25 H new ATOM 0 HG22 VAL A 17 16.745 40.662 8.771 1.00 20.25 H new ATOM 0 HG23 VAL A 17 15.068 40.667 8.174 1.00 20.25 H new ATOM 238 N ALA A 18 17.684 42.622 7.889 1.00 22.43 N ATOM 239 CA ALA A 18 18.734 43.313 8.628 1.00 60.45 C ATOM 240 C ALA A 18 19.687 42.320 9.286 1.00 54.33 C ATOM 241 O ALA A 18 19.399 41.126 9.363 1.00 65.51 O ATOM 242 CB ALA A 18 18.125 44.235 9.673 1.00 54.01 C ATOM 0 H ALA A 18 16.756 42.694 8.307 1.00 22.43 H new ATOM 0 HA ALA A 18 19.307 43.913 7.921 1.00 60.45 H new ATOM 0 HB1 ALA A 18 18.921 44.744 10.217 1.00 54.01 H new ATOM 0 HB2 ALA A 18 17.491 44.973 9.182 1.00 54.01 H new ATOM 0 HB3 ALA A 18 17.526 43.649 10.370 1.00 54.01 H new ATOM 248 N LYS A 19 20.822 42.822 9.759 1.00 43.32 N ATOM 249 CA LYS A 19 21.818 41.981 10.411 1.00 22.43 C ATOM 250 C LYS A 19 21.200 41.205 11.570 1.00 72.52 C ATOM 251 O LYS A 19 20.450 41.760 12.372 1.00 61.13 O ATOM 252 CB LYS A 19 22.983 42.834 10.919 1.00 30.40 C ATOM 253 CG LYS A 19 24.310 42.095 10.948 1.00 41.43 C ATOM 254 CD LYS A 19 25.410 42.949 11.557 1.00 71.14 C ATOM 255 CE LYS A 19 26.788 42.487 11.107 1.00 55.02 C ATOM 256 NZ LYS A 19 27.509 41.760 12.188 1.00 60.24 N ATOM 0 H LYS A 19 21.075 43.808 9.703 1.00 43.32 H new ATOM 0 HA LYS A 19 22.191 41.268 9.676 1.00 22.43 H new ATOM 0 HB2 LYS A 19 23.081 43.715 10.285 1.00 30.40 H new ATOM 0 HB3 LYS A 19 22.752 43.189 11.924 1.00 30.40 H new ATOM 0 HG2 LYS A 19 24.203 41.175 11.522 1.00 41.43 H new ATOM 0 HG3 LYS A 19 24.590 41.808 9.934 1.00 41.43 H new ATOM 0 HD2 LYS A 19 25.263 43.991 11.272 1.00 71.14 H new ATOM 0 HD3 LYS A 19 25.347 42.904 12.644 1.00 71.14 H new ATOM 0 HE2 LYS A 19 26.687 41.838 10.237 1.00 55.02 H new ATOM 0 HE3 LYS A 19 27.376 43.350 10.794 1.00 55.02 H new ATOM 0 HZ1 LYS A 19 28.443 41.462 11.842 1.00 60.24 H new ATOM 0 HZ2 LYS A 19 27.628 42.387 13.009 1.00 60.24 H new ATOM 0 HZ3 LYS A 19 26.960 40.922 12.469 1.00 60.24 H new ATOM 270 N GLY A 20 21.521 39.917 11.652 1.00 73.21 N ATOM 271 CA GLY A 20 20.989 39.086 12.717 1.00 51.24 C ATOM 272 C GLY A 20 19.478 38.974 12.665 1.00 62.14 C ATOM 273 O GLY A 20 18.766 39.806 13.229 1.00 24.55 O ATOM 0 H GLY A 20 22.140 39.434 11.000 1.00 73.21 H new ATOM 0 HA2 GLY A 20 21.427 38.090 12.650 1.00 51.24 H new ATOM 0 HA3 GLY A 20 21.287 39.500 13.680 1.00 51.24 H new ATOM 277 N LEU A 21 18.986 37.944 11.984 1.00 3.52 N ATOM 278 CA LEU A 21 17.549 37.727 11.859 1.00 62.22 C ATOM 279 C LEU A 21 17.256 36.342 11.292 1.00 73.52 C ATOM 280 O LEU A 21 17.972 35.854 10.418 1.00 4.12 O ATOM 281 CB LEU A 21 16.927 38.799 10.963 1.00 43.32 C ATOM 282 CG LEU A 21 16.102 39.872 11.674 1.00 52.10 C ATOM 283 CD1 LEU A 21 16.665 41.256 11.389 1.00 24.51 C ATOM 284 CD2 LEU A 21 14.643 39.791 11.250 1.00 73.14 C ATOM 0 H LEU A 21 19.561 37.247 11.511 1.00 3.52 H new ATOM 0 HA LEU A 21 17.108 37.794 12.854 1.00 62.22 H new ATOM 0 HB2 LEU A 21 17.727 39.291 10.410 1.00 43.32 H new ATOM 0 HB3 LEU A 21 16.289 38.306 10.229 1.00 43.32 H new ATOM 0 HG LEU A 21 16.159 39.693 12.748 1.00 52.10 H new ATOM 0 HD11 LEU A 21 16.064 42.006 11.904 1.00 24.51 H new ATOM 0 HD12 LEU A 21 17.694 41.310 11.743 1.00 24.51 H new ATOM 0 HD13 LEU A 21 16.640 41.445 10.316 1.00 24.51 H new ATOM 0 HD21 LEU A 21 14.071 40.562 11.766 1.00 73.14 H new ATOM 0 HD22 LEU A 21 14.568 39.943 10.173 1.00 73.14 H new ATOM 0 HD23 LEU A 21 14.243 38.810 11.507 1.00 73.14 H new ATOM 296 N GLN A 22 16.197 35.715 11.794 1.00 73.53 N ATOM 297 CA GLN A 22 15.808 34.386 11.336 1.00 61.14 C ATOM 298 C GLN A 22 14.363 34.380 10.847 1.00 24.40 C ATOM 299 O GLN A 22 13.547 35.189 11.286 1.00 40.14 O ATOM 300 CB GLN A 22 15.983 33.364 12.460 1.00 1.13 C ATOM 301 CG GLN A 22 15.444 33.837 13.801 1.00 62.31 C ATOM 302 CD GLN A 22 15.740 32.863 14.925 1.00 41.22 C ATOM 303 OE1 GLN A 22 14.845 32.474 15.676 1.00 5.12 O ATOM 304 NE2 GLN A 22 17.001 32.464 15.046 1.00 74.22 N ATOM 0 H GLN A 22 15.593 36.105 12.517 1.00 73.53 H new ATOM 0 HA GLN A 22 16.455 34.113 10.503 1.00 61.14 H new ATOM 0 HB2 GLN A 22 15.479 32.439 12.181 1.00 1.13 H new ATOM 0 HB3 GLN A 22 17.042 33.130 12.566 1.00 1.13 H new ATOM 0 HG2 GLN A 22 15.879 34.807 14.042 1.00 62.31 H new ATOM 0 HG3 GLN A 22 14.366 33.981 13.725 1.00 62.31 H new ATOM 0 HE21 GLN A 22 17.710 32.812 14.401 1.00 74.22 H new ATOM 0 HE22 GLN A 22 17.260 31.809 15.784 1.00 74.22 H new ATOM 313 N GLU A 23 14.056 33.461 9.936 1.00 13.24 N ATOM 314 CA GLU A 23 12.709 33.351 9.388 1.00 41.41 C ATOM 315 C GLU A 23 12.264 31.893 9.326 1.00 42.04 C ATOM 316 O GLU A 23 13.075 30.995 9.105 1.00 62.21 O ATOM 317 CB GLU A 23 12.651 33.974 7.991 1.00 31.14 C ATOM 318 CG GLU A 23 12.006 35.349 7.964 1.00 14.34 C ATOM 319 CD GLU A 23 12.069 35.997 6.595 1.00 72.44 C ATOM 320 OE1 GLU A 23 11.468 35.443 5.650 1.00 43.45 O ATOM 321 OE2 GLU A 23 12.718 37.055 6.467 1.00 5.35 O ATOM 0 H GLU A 23 14.721 32.783 9.563 1.00 13.24 H new ATOM 0 HA GLU A 23 12.030 33.892 10.048 1.00 41.41 H new ATOM 0 HB2 GLU A 23 13.663 34.049 7.594 1.00 31.14 H new ATOM 0 HB3 GLU A 23 12.097 33.309 7.329 1.00 31.14 H new ATOM 0 HG2 GLU A 23 10.964 35.264 8.274 1.00 14.34 H new ATOM 0 HG3 GLU A 23 12.502 35.993 8.690 1.00 14.34 H new ATOM 328 N ASN A 24 10.969 31.667 9.522 1.00 25.55 N ATOM 329 CA ASN A 24 10.416 30.318 9.490 1.00 71.30 C ATOM 330 C ASN A 24 9.832 30.002 8.116 1.00 11.33 C ATOM 331 O ASN A 24 9.193 30.850 7.492 1.00 60.41 O ATOM 332 CB ASN A 24 9.337 30.161 10.563 1.00 20.35 C ATOM 333 CG ASN A 24 9.650 30.953 11.818 1.00 22.11 C ATOM 334 OD1 ASN A 24 9.558 32.180 11.830 1.00 53.52 O ATOM 335 ND2 ASN A 24 10.024 30.252 12.882 1.00 34.04 N ATOM 0 H ASN A 24 10.284 32.400 9.705 1.00 25.55 H new ATOM 0 HA ASN A 24 11.225 29.616 9.692 1.00 71.30 H new ATOM 0 HB2 ASN A 24 8.378 30.487 10.160 1.00 20.35 H new ATOM 0 HB3 ASN A 24 9.233 29.106 10.819 1.00 20.35 H new ATOM 0 HD21 ASN A 24 10.249 30.730 13.755 1.00 34.04 H new ATOM 0 HD22 ASN A 24 10.087 29.235 12.827 1.00 34.04 H new ATOM 342 N PHE A 25 10.055 28.777 7.652 1.00 41.45 N ATOM 343 CA PHE A 25 9.552 28.349 6.352 1.00 54.44 C ATOM 344 C PHE A 25 8.486 27.269 6.510 1.00 12.00 C ATOM 345 O PHE A 25 8.279 26.739 7.602 1.00 3.41 O ATOM 346 CB PHE A 25 10.698 27.827 5.484 1.00 43.14 C ATOM 347 CG PHE A 25 11.242 28.851 4.529 1.00 1.40 C ATOM 348 CD1 PHE A 25 11.499 30.145 4.953 1.00 50.30 C ATOM 349 CD2 PHE A 25 11.497 28.520 3.208 1.00 11.20 C ATOM 350 CE1 PHE A 25 11.999 31.090 4.076 1.00 34.34 C ATOM 351 CE2 PHE A 25 11.997 29.460 2.327 1.00 50.42 C ATOM 352 CZ PHE A 25 12.249 30.747 2.762 1.00 21.41 C ATOM 0 H PHE A 25 10.581 28.063 8.157 1.00 41.45 H new ATOM 0 HA PHE A 25 9.100 29.212 5.864 1.00 54.44 H new ATOM 0 HB2 PHE A 25 11.504 27.481 6.131 1.00 43.14 H new ATOM 0 HB3 PHE A 25 10.350 26.963 4.918 1.00 43.14 H new ATOM 0 HD1 PHE A 25 11.307 30.419 5.980 1.00 50.30 H new ATOM 0 HD2 PHE A 25 11.303 27.515 2.863 1.00 11.20 H new ATOM 0 HE1 PHE A 25 12.194 32.096 4.418 1.00 34.34 H new ATOM 0 HE2 PHE A 25 12.191 29.189 1.300 1.00 50.42 H new ATOM 0 HZ PHE A 25 12.641 31.483 2.076 1.00 21.41 H new ATOM 362 N LYS A 26 7.811 26.947 5.412 1.00 54.11 N ATOM 363 CA LYS A 26 6.766 25.930 5.426 1.00 20.11 C ATOM 364 C LYS A 26 6.757 25.141 4.121 1.00 63.33 C ATOM 365 O LYS A 26 6.790 25.719 3.035 1.00 65.21 O ATOM 366 CB LYS A 26 5.398 26.577 5.652 1.00 50.40 C ATOM 367 CG LYS A 26 4.315 25.589 6.049 1.00 23.11 C ATOM 368 CD LYS A 26 4.563 25.018 7.435 1.00 31.41 C ATOM 369 CE LYS A 26 4.659 23.500 7.403 1.00 32.04 C ATOM 370 NZ LYS A 26 3.347 22.855 7.686 1.00 13.24 N ATOM 0 H LYS A 26 7.969 27.376 4.500 1.00 54.11 H new ATOM 0 HA LYS A 26 6.975 25.242 6.245 1.00 20.11 H new ATOM 0 HB2 LYS A 26 5.488 27.336 6.429 1.00 50.40 H new ATOM 0 HB3 LYS A 26 5.093 27.090 4.740 1.00 50.40 H new ATOM 0 HG2 LYS A 26 3.344 26.084 6.027 1.00 23.11 H new ATOM 0 HG3 LYS A 26 4.277 24.778 5.322 1.00 23.11 H new ATOM 0 HD2 LYS A 26 5.485 25.434 7.841 1.00 31.41 H new ATOM 0 HD3 LYS A 26 3.756 25.319 8.103 1.00 31.41 H new ATOM 0 HE2 LYS A 26 5.018 23.179 6.425 1.00 32.04 H new ATOM 0 HE3 LYS A 26 5.393 23.167 8.137 1.00 32.04 H new ATOM 0 HZ1 LYS A 26 3.455 21.821 7.655 1.00 13.24 H new ATOM 0 HZ2 LYS A 26 3.016 23.140 8.630 1.00 13.24 H new ATOM 0 HZ3 LYS A 26 2.653 23.152 6.971 1.00 13.24 H new ATOM 384 N ALA A 27 6.711 23.817 4.235 1.00 41.42 N ATOM 385 CA ALA A 27 6.694 22.950 3.064 1.00 63.23 C ATOM 386 C ALA A 27 5.707 21.802 3.245 1.00 54.23 C ATOM 387 O ALA A 27 5.682 21.149 4.288 1.00 34.14 O ATOM 388 CB ALA A 27 8.089 22.409 2.787 1.00 4.32 C ATOM 0 H ALA A 27 6.685 23.322 5.127 1.00 41.42 H new ATOM 0 HA ALA A 27 6.369 23.543 2.209 1.00 63.23 H new ATOM 0 HB1 ALA A 27 8.061 21.763 1.910 1.00 4.32 H new ATOM 0 HB2 ALA A 27 8.772 23.239 2.605 1.00 4.32 H new ATOM 0 HB3 ALA A 27 8.435 21.837 3.648 1.00 4.32 H new ATOM 394 N THR A 28 4.892 21.561 2.222 1.00 41.51 N ATOM 395 CA THR A 28 3.901 20.494 2.269 1.00 50.00 C ATOM 396 C THR A 28 4.169 19.447 1.194 1.00 41.00 C ATOM 397 O THR A 28 4.171 19.753 0.002 1.00 31.04 O ATOM 398 CB THR A 28 2.474 21.044 2.089 1.00 54.41 C ATOM 399 OG1 THR A 28 2.198 22.029 3.091 1.00 1.14 O ATOM 400 CG2 THR A 28 1.447 19.925 2.175 1.00 61.11 C ATOM 0 H THR A 28 4.899 22.091 1.351 1.00 41.51 H new ATOM 0 HA THR A 28 3.982 20.031 3.252 1.00 50.00 H new ATOM 0 HB THR A 28 2.407 21.502 1.102 1.00 54.41 H new ATOM 0 HG1 THR A 28 1.289 22.375 2.968 1.00 1.14 H new ATOM 0 HG21 THR A 28 0.447 20.338 2.045 1.00 61.11 H new ATOM 0 HG22 THR A 28 1.641 19.192 1.392 1.00 61.11 H new ATOM 0 HG23 THR A 28 1.516 19.442 3.150 1.00 61.11 H new ATOM 408 N GLY A 29 4.395 18.209 1.623 1.00 32.11 N ATOM 409 CA GLY A 29 4.660 17.135 0.684 1.00 44.02 C ATOM 410 C GLY A 29 3.391 16.478 0.180 1.00 54.53 C ATOM 411 O GLY A 29 2.434 16.302 0.934 1.00 33.33 O ATOM 0 H GLY A 29 4.399 17.931 2.604 1.00 32.11 H new ATOM 0 HA2 GLY A 29 5.223 17.528 -0.163 1.00 44.02 H new ATOM 0 HA3 GLY A 29 5.288 16.384 1.164 1.00 44.02 H new ATOM 415 N ILE A 30 3.380 16.118 -1.099 1.00 65.31 N ATOM 416 CA ILE A 30 2.218 15.478 -1.703 1.00 22.24 C ATOM 417 C ILE A 30 2.533 14.044 -2.116 1.00 12.10 C ATOM 418 O ILE A 30 3.652 13.736 -2.525 1.00 43.14 O ATOM 419 CB ILE A 30 1.722 16.258 -2.934 1.00 40.21 C ATOM 420 CG1 ILE A 30 1.618 17.750 -2.612 1.00 13.24 C ATOM 421 CG2 ILE A 30 0.379 15.716 -3.399 1.00 34.12 C ATOM 422 CD1 ILE A 30 0.588 18.068 -1.550 1.00 41.40 C ATOM 0 H ILE A 30 4.163 16.259 -1.737 1.00 65.31 H new ATOM 0 HA ILE A 30 1.433 15.472 -0.947 1.00 22.24 H new ATOM 0 HB ILE A 30 2.443 16.129 -3.742 1.00 40.21 H new ATOM 0 HG12 ILE A 30 2.592 18.111 -2.282 1.00 13.24 H new ATOM 0 HG13 ILE A 30 1.369 18.294 -3.523 1.00 13.24 H new ATOM 0 HG21 ILE A 30 0.042 16.278 -4.270 1.00 34.12 H new ATOM 0 HG22 ILE A 30 0.483 14.664 -3.664 1.00 34.12 H new ATOM 0 HG23 ILE A 30 -0.352 15.817 -2.597 1.00 34.12 H new ATOM 0 HD11 ILE A 30 0.568 19.143 -1.373 1.00 41.40 H new ATOM 0 HD12 ILE A 30 -0.395 17.738 -1.886 1.00 41.40 H new ATOM 0 HD13 ILE A 30 0.848 17.552 -0.625 1.00 41.40 H new ATOM 434 N PHE A 31 1.537 13.171 -2.008 1.00 31.12 N ATOM 435 CA PHE A 31 1.707 11.769 -2.371 1.00 73.12 C ATOM 436 C PHE A 31 0.673 11.348 -3.412 1.00 20.22 C ATOM 437 O PHE A 31 -0.363 11.994 -3.572 1.00 40.04 O ATOM 438 CB PHE A 31 1.589 10.881 -1.131 1.00 23.31 C ATOM 439 CG PHE A 31 2.796 10.935 -0.238 1.00 52.50 C ATOM 440 CD1 PHE A 31 3.002 12.016 0.604 1.00 2.23 C ATOM 441 CD2 PHE A 31 3.723 9.906 -0.241 1.00 3.25 C ATOM 442 CE1 PHE A 31 4.112 12.069 1.426 1.00 0.32 C ATOM 443 CE2 PHE A 31 4.835 9.954 0.580 1.00 71.44 C ATOM 444 CZ PHE A 31 5.029 11.036 1.415 1.00 52.32 C ATOM 0 H PHE A 31 0.604 13.410 -1.672 1.00 31.12 H new ATOM 0 HA PHE A 31 2.701 11.649 -2.802 1.00 73.12 H new ATOM 0 HB2 PHE A 31 0.711 11.183 -0.560 1.00 23.31 H new ATOM 0 HB3 PHE A 31 1.426 9.850 -1.446 1.00 23.31 H new ATOM 0 HD1 PHE A 31 2.288 12.826 0.618 1.00 2.23 H new ATOM 0 HD2 PHE A 31 3.576 9.057 -0.892 1.00 3.25 H new ATOM 0 HE1 PHE A 31 4.262 12.918 2.077 1.00 0.32 H new ATOM 0 HE2 PHE A 31 5.551 9.146 0.568 1.00 71.44 H new ATOM 0 HZ PHE A 31 5.896 11.075 2.058 1.00 52.32 H new ATOM 454 N THR A 32 0.962 10.259 -4.118 1.00 4.11 N ATOM 455 CA THR A 32 0.061 9.752 -5.144 1.00 74.32 C ATOM 456 C THR A 32 -1.222 9.205 -4.528 1.00 23.43 C ATOM 457 O THR A 32 -2.204 8.960 -5.229 1.00 3.21 O ATOM 458 CB THR A 32 0.728 8.644 -5.981 1.00 20.24 C ATOM 459 OG1 THR A 32 1.785 8.034 -5.231 1.00 71.25 O ATOM 460 CG2 THR A 32 1.281 9.206 -7.281 1.00 51.44 C ATOM 0 H THR A 32 1.814 9.711 -3.997 1.00 4.11 H new ATOM 0 HA THR A 32 -0.181 10.592 -5.795 1.00 74.32 H new ATOM 0 HB THR A 32 -0.027 7.895 -6.220 1.00 20.24 H new ATOM 0 HG1 THR A 32 2.593 8.585 -5.296 1.00 71.25 H new ATOM 0 HG21 THR A 32 1.747 8.405 -7.855 1.00 51.44 H new ATOM 0 HG22 THR A 32 0.470 9.644 -7.862 1.00 51.44 H new ATOM 0 HG23 THR A 32 2.023 9.973 -7.059 1.00 51.44 H new ATOM 468 N ASP A 33 -1.206 9.015 -3.213 1.00 14.20 N ATOM 469 CA ASP A 33 -2.370 8.498 -2.501 1.00 44.33 C ATOM 470 C ASP A 33 -3.287 9.635 -2.062 1.00 54.03 C ATOM 471 O ASP A 33 -4.174 9.444 -1.232 1.00 34.14 O ATOM 472 CB ASP A 33 -1.929 7.683 -1.285 1.00 30.04 C ATOM 473 CG ASP A 33 -1.466 8.559 -0.137 1.00 43.25 C ATOM 474 OD1 ASP A 33 -0.972 9.674 -0.405 1.00 40.42 O ATOM 475 OD2 ASP A 33 -1.596 8.129 1.028 1.00 0.40 O ATOM 0 H ASP A 33 -0.401 9.211 -2.619 1.00 14.20 H new ATOM 0 HA ASP A 33 -2.924 7.851 -3.181 1.00 44.33 H new ATOM 0 HB2 ASP A 33 -2.757 7.058 -0.950 1.00 30.04 H new ATOM 0 HB3 ASP A 33 -1.121 7.012 -1.575 1.00 30.04 H new ATOM 480 N ASN A 34 -3.066 10.818 -2.626 1.00 14.45 N ATOM 481 CA ASN A 34 -3.873 11.987 -2.291 1.00 24.32 C ATOM 482 C ASN A 34 -3.698 12.366 -0.823 1.00 62.13 C ATOM 483 O ASN A 34 -4.490 13.129 -0.270 1.00 45.13 O ATOM 484 CB ASN A 34 -5.349 11.715 -2.587 1.00 1.23 C ATOM 485 CG ASN A 34 -5.541 10.815 -3.792 1.00 50.42 C ATOM 486 OD1 ASN A 34 -4.859 10.963 -4.806 1.00 44.31 O ATOM 487 ND2 ASN A 34 -6.474 9.876 -3.687 1.00 12.53 N ATOM 0 H ASN A 34 -2.336 10.993 -3.316 1.00 14.45 H new ATOM 0 HA ASN A 34 -3.534 12.821 -2.906 1.00 24.32 H new ATOM 0 HB2 ASN A 34 -5.813 11.254 -1.715 1.00 1.23 H new ATOM 0 HB3 ASN A 34 -5.863 12.661 -2.758 1.00 1.23 H new ATOM 0 HD21 ASN A 34 -6.649 9.241 -4.466 1.00 12.53 H new ATOM 0 HD22 ASN A 34 -7.016 9.789 -2.827 1.00 12.53 H new ATOM 494 N SER A 35 -2.655 11.828 -0.199 1.00 32.42 N ATOM 495 CA SER A 35 -2.378 12.107 1.205 1.00 23.33 C ATOM 496 C SER A 35 -1.136 12.982 1.350 1.00 34.33 C ATOM 497 O SER A 35 -0.013 12.522 1.151 1.00 60.14 O ATOM 498 CB SER A 35 -2.188 10.800 1.979 1.00 51.51 C ATOM 499 OG SER A 35 -2.331 11.008 3.373 1.00 1.34 O ATOM 0 H SER A 35 -1.988 11.197 -0.643 1.00 32.42 H new ATOM 0 HA SER A 35 -3.231 12.645 1.618 1.00 23.33 H new ATOM 0 HB2 SER A 35 -2.918 10.064 1.641 1.00 51.51 H new ATOM 0 HB3 SER A 35 -1.200 10.389 1.769 1.00 51.51 H new ATOM 0 HG SER A 35 -2.207 10.158 3.845 1.00 1.34 H new ATOM 505 N ASN A 36 -1.349 14.246 1.699 1.00 11.43 N ATOM 506 CA ASN A 36 -0.248 15.187 1.871 1.00 52.41 C ATOM 507 C ASN A 36 0.222 15.216 3.322 1.00 63.41 C ATOM 508 O ASN A 36 -0.585 15.141 4.248 1.00 23.54 O ATOM 509 CB ASN A 36 -0.676 16.590 1.434 1.00 11.04 C ATOM 510 CG ASN A 36 -1.645 16.562 0.268 1.00 43.21 C ATOM 511 OD1 ASN A 36 -2.672 17.241 0.283 1.00 20.53 O ATOM 512 ND2 ASN A 36 -1.321 15.775 -0.751 1.00 62.22 N ATOM 0 H ASN A 36 -2.273 14.643 1.868 1.00 11.43 H new ATOM 0 HA ASN A 36 0.581 14.855 1.246 1.00 52.41 H new ATOM 0 HB2 ASN A 36 -1.140 17.104 2.276 1.00 11.04 H new ATOM 0 HB3 ASN A 36 0.207 17.166 1.156 1.00 11.04 H new ATOM 0 HD21 ASN A 36 -1.934 15.716 -1.564 1.00 62.22 H new ATOM 0 HD22 ASN A 36 -0.459 15.230 -0.720 1.00 62.22 H new ATOM 519 N SER A 37 1.533 15.325 3.511 1.00 24.12 N ATOM 520 CA SER A 37 2.112 15.360 4.849 1.00 23.11 C ATOM 521 C SER A 37 3.168 16.456 4.956 1.00 63.14 C ATOM 522 O SER A 37 3.749 16.873 3.953 1.00 11.34 O ATOM 523 CB SER A 37 2.731 14.004 5.196 1.00 41.43 C ATOM 524 OG SER A 37 1.734 13.006 5.323 1.00 75.01 O ATOM 0 H SER A 37 2.214 15.391 2.755 1.00 24.12 H new ATOM 0 HA SER A 37 1.313 15.579 5.558 1.00 23.11 H new ATOM 0 HB2 SER A 37 3.442 13.716 4.421 1.00 41.43 H new ATOM 0 HB3 SER A 37 3.291 14.084 6.128 1.00 41.43 H new ATOM 0 HG SER A 37 2.155 12.149 5.543 1.00 75.01 H new ATOM 530 N ASP A 38 3.411 16.917 6.177 1.00 4.53 N ATOM 531 CA ASP A 38 4.398 17.964 6.417 1.00 50.42 C ATOM 532 C ASP A 38 5.782 17.365 6.646 1.00 71.24 C ATOM 533 O ASP A 38 5.932 16.390 7.383 1.00 44.11 O ATOM 534 CB ASP A 38 3.990 18.813 7.622 1.00 24.23 C ATOM 535 CG ASP A 38 3.970 18.015 8.911 1.00 30.03 C ATOM 536 OD1 ASP A 38 3.835 16.775 8.840 1.00 13.32 O ATOM 537 OD2 ASP A 38 4.090 18.630 9.991 1.00 2.12 O ATOM 0 H ASP A 38 2.938 16.583 7.017 1.00 4.53 H new ATOM 0 HA ASP A 38 4.439 18.599 5.532 1.00 50.42 H new ATOM 0 HB2 ASP A 38 4.683 19.648 7.726 1.00 24.23 H new ATOM 0 HB3 ASP A 38 3.002 19.238 7.446 1.00 24.23 H new ATOM 542 N ILE A 39 6.789 17.953 6.008 1.00 34.04 N ATOM 543 CA ILE A 39 8.160 17.477 6.143 1.00 74.41 C ATOM 544 C ILE A 39 8.200 15.963 6.324 1.00 64.05 C ATOM 545 O ILE A 39 8.888 15.450 7.207 1.00 35.34 O ATOM 546 CB ILE A 39 8.873 18.144 7.334 1.00 62.25 C ATOM 547 CG1 ILE A 39 8.153 17.809 8.641 1.00 32.50 C ATOM 548 CG2 ILE A 39 8.944 19.650 7.132 1.00 15.23 C ATOM 549 CD1 ILE A 39 7.070 18.800 9.006 1.00 73.35 C ATOM 0 H ILE A 39 6.681 18.759 5.393 1.00 34.04 H new ATOM 0 HA ILE A 39 8.680 17.745 5.223 1.00 74.41 H new ATOM 0 HB ILE A 39 9.890 17.757 7.393 1.00 62.25 H new ATOM 0 HG12 ILE A 39 7.712 16.815 8.559 1.00 32.50 H new ATOM 0 HG13 ILE A 39 8.884 17.768 9.449 1.00 32.50 H new ATOM 0 HG21 ILE A 39 9.451 20.108 7.982 1.00 15.23 H new ATOM 0 HG22 ILE A 39 9.497 19.869 6.219 1.00 15.23 H new ATOM 0 HG23 ILE A 39 7.935 20.054 7.050 1.00 15.23 H new ATOM 0 HD11 ILE A 39 6.603 18.499 9.944 1.00 73.35 H new ATOM 0 HD12 ILE A 39 7.508 19.792 9.120 1.00 73.35 H new ATOM 0 HD13 ILE A 39 6.318 18.824 8.217 1.00 73.35 H new ATOM 561 N THR A 40 7.461 15.251 5.478 1.00 12.44 N ATOM 562 CA THR A 40 7.413 13.796 5.544 1.00 55.24 C ATOM 563 C THR A 40 8.766 13.185 5.198 1.00 13.22 C ATOM 564 O THR A 40 9.228 12.259 5.865 1.00 14.11 O ATOM 565 CB THR A 40 6.346 13.226 4.589 1.00 10.35 C ATOM 566 OG1 THR A 40 5.587 14.293 4.010 1.00 14.11 O ATOM 567 CG2 THR A 40 5.414 12.275 5.325 1.00 3.35 C ATOM 0 H THR A 40 6.888 15.659 4.739 1.00 12.44 H new ATOM 0 HA THR A 40 7.151 13.534 6.569 1.00 55.24 H new ATOM 0 HB THR A 40 6.855 12.673 3.800 1.00 10.35 H new ATOM 0 HG1 THR A 40 6.086 14.681 3.261 1.00 14.11 H new ATOM 0 HG21 THR A 40 4.669 11.885 4.631 1.00 3.35 H new ATOM 0 HG22 THR A 40 5.991 11.449 5.740 1.00 3.35 H new ATOM 0 HG23 THR A 40 4.913 12.809 6.132 1.00 3.35 H new ATOM 575 N ASP A 41 9.397 13.709 4.153 1.00 13.23 N ATOM 576 CA ASP A 41 10.699 13.216 3.720 1.00 30.14 C ATOM 577 C ASP A 41 11.825 14.040 4.338 1.00 73.33 C ATOM 578 O ASP A 41 12.994 13.863 3.997 1.00 30.21 O ATOM 579 CB ASP A 41 10.801 13.253 2.195 1.00 73.23 C ATOM 580 CG ASP A 41 10.679 11.876 1.573 1.00 75.41 C ATOM 581 OD1 ASP A 41 9.560 11.320 1.576 1.00 31.22 O ATOM 582 OD2 ASP A 41 11.701 11.354 1.082 1.00 22.10 O ATOM 0 H ASP A 41 9.028 14.475 3.590 1.00 13.23 H new ATOM 0 HA ASP A 41 10.800 12.185 4.058 1.00 30.14 H new ATOM 0 HB2 ASP A 41 10.018 13.899 1.797 1.00 73.23 H new ATOM 0 HB3 ASP A 41 11.755 13.695 1.908 1.00 73.23 H new ATOM 587 N GLN A 42 11.463 14.940 5.246 1.00 52.33 N ATOM 588 CA GLN A 42 12.443 15.792 5.909 1.00 52.54 C ATOM 589 C GLN A 42 13.088 16.754 4.916 1.00 0.11 C ATOM 590 O GLN A 42 14.111 16.440 4.307 1.00 54.13 O ATOM 591 CB GLN A 42 13.519 14.939 6.583 1.00 15.31 C ATOM 592 CG GLN A 42 13.473 14.992 8.102 1.00 62.14 C ATOM 593 CD GLN A 42 12.066 14.852 8.649 1.00 64.43 C ATOM 594 OE1 GLN A 42 11.525 13.748 8.725 1.00 54.42 O ATOM 595 NE2 GLN A 42 11.466 15.972 9.034 1.00 62.32 N ATOM 0 H GLN A 42 10.499 15.098 5.539 1.00 52.33 H new ATOM 0 HA GLN A 42 11.924 16.376 6.669 1.00 52.54 H new ATOM 0 HB2 GLN A 42 13.406 13.904 6.260 1.00 15.31 H new ATOM 0 HB3 GLN A 42 14.500 15.273 6.245 1.00 15.31 H new ATOM 0 HG2 GLN A 42 14.097 14.196 8.508 1.00 62.14 H new ATOM 0 HG3 GLN A 42 13.898 15.936 8.442 1.00 62.14 H new ATOM 0 HE21 GLN A 42 11.952 16.865 8.953 1.00 62.32 H new ATOM 0 HE22 GLN A 42 10.519 15.940 9.411 1.00 62.32 H new ATOM 604 N VAL A 43 12.483 17.927 4.758 1.00 45.31 N ATOM 605 CA VAL A 43 12.999 18.936 3.840 1.00 64.53 C ATOM 606 C VAL A 43 14.481 19.197 4.086 1.00 20.52 C ATOM 607 O VAL A 43 14.885 19.549 5.195 1.00 65.41 O ATOM 608 CB VAL A 43 12.227 20.262 3.971 1.00 60.33 C ATOM 609 CG1 VAL A 43 12.815 21.316 3.045 1.00 75.34 C ATOM 610 CG2 VAL A 43 10.749 20.048 3.679 1.00 3.13 C ATOM 0 H VAL A 43 11.635 18.202 5.254 1.00 45.31 H new ATOM 0 HA VAL A 43 12.865 18.544 2.832 1.00 64.53 H new ATOM 0 HB VAL A 43 12.324 20.619 4.996 1.00 60.33 H new ATOM 0 HG11 VAL A 43 12.257 22.246 3.151 1.00 75.34 H new ATOM 0 HG12 VAL A 43 13.859 21.488 3.306 1.00 75.34 H new ATOM 0 HG13 VAL A 43 12.751 20.970 2.013 1.00 75.34 H new ATOM 0 HG21 VAL A 43 10.218 20.995 3.776 1.00 3.13 H new ATOM 0 HG22 VAL A 43 10.630 19.668 2.665 1.00 3.13 H new ATOM 0 HG23 VAL A 43 10.339 19.328 4.387 1.00 3.13 H new ATOM 620 N THR A 44 15.288 19.022 3.044 1.00 5.24 N ATOM 621 CA THR A 44 16.726 19.238 3.147 1.00 1.11 C ATOM 622 C THR A 44 17.058 20.726 3.180 1.00 72.41 C ATOM 623 O THR A 44 16.650 21.481 2.298 1.00 15.53 O ATOM 624 CB THR A 44 17.478 18.582 1.974 1.00 70.22 C ATOM 625 OG1 THR A 44 16.672 17.551 1.391 1.00 44.42 O ATOM 626 CG2 THR A 44 18.802 17.995 2.440 1.00 33.20 C ATOM 0 H THR A 44 14.970 18.731 2.119 1.00 5.24 H new ATOM 0 HA THR A 44 17.049 18.776 4.080 1.00 1.11 H new ATOM 0 HB THR A 44 17.682 19.349 1.227 1.00 70.22 H new ATOM 0 HG1 THR A 44 16.374 17.833 0.501 1.00 44.42 H new ATOM 0 HG21 THR A 44 19.315 17.537 1.594 1.00 33.20 H new ATOM 0 HG22 THR A 44 19.425 18.787 2.857 1.00 33.20 H new ATOM 0 HG23 THR A 44 18.616 17.240 3.204 1.00 33.20 H new ATOM 634 N TRP A 45 17.800 21.139 4.200 1.00 23.25 N ATOM 635 CA TRP A 45 18.187 22.537 4.347 1.00 43.41 C ATOM 636 C TRP A 45 19.614 22.762 3.857 1.00 32.53 C ATOM 637 O TRP A 45 20.516 21.982 4.166 1.00 15.44 O ATOM 638 CB TRP A 45 18.062 22.972 5.808 1.00 42.20 C ATOM 639 CG TRP A 45 18.758 22.051 6.764 1.00 71.13 C ATOM 640 CD1 TRP A 45 18.228 20.950 7.373 1.00 32.25 C ATOM 641 CD2 TRP A 45 20.111 22.152 7.220 1.00 2.20 C ATOM 642 NE1 TRP A 45 19.170 20.361 8.182 1.00 61.45 N ATOM 643 CE2 TRP A 45 20.334 21.078 8.104 1.00 1.52 C ATOM 644 CE3 TRP A 45 21.157 23.044 6.966 1.00 32.14 C ATOM 645 CZ2 TRP A 45 21.559 20.876 8.735 1.00 72.23 C ATOM 646 CZ3 TRP A 45 22.372 22.842 7.593 1.00 34.52 C ATOM 647 CH2 TRP A 45 22.565 21.764 8.468 1.00 11.32 C ATOM 0 H TRP A 45 18.146 20.526 4.938 1.00 23.25 H new ATOM 0 HA TRP A 45 17.514 23.140 3.737 1.00 43.41 H new ATOM 0 HB2 TRP A 45 18.473 23.976 5.917 1.00 42.20 H new ATOM 0 HB3 TRP A 45 17.006 23.029 6.073 1.00 42.20 H new ATOM 0 HD1 TRP A 45 17.217 20.594 7.239 1.00 32.25 H new ATOM 0 HE1 TRP A 45 19.026 19.525 8.749 1.00 61.45 H new ATOM 0 HE3 TRP A 45 21.018 23.876 6.292 1.00 32.14 H new ATOM 0 HZ2 TRP A 45 21.710 20.048 9.411 1.00 72.23 H new ATOM 0 HZ3 TRP A 45 23.186 23.526 7.406 1.00 34.52 H new ATOM 0 HH2 TRP A 45 23.527 21.632 8.941 1.00 11.32 H new ATOM 658 N ASP A 46 19.811 23.830 3.093 1.00 62.10 N ATOM 659 CA ASP A 46 21.129 24.157 2.562 1.00 64.13 C ATOM 660 C ASP A 46 21.301 25.667 2.425 1.00 71.52 C ATOM 661 O ASP A 46 20.354 26.382 2.098 1.00 71.32 O ATOM 662 CB ASP A 46 21.338 23.482 1.205 1.00 53.30 C ATOM 663 CG ASP A 46 22.803 23.261 0.887 1.00 5.13 C ATOM 664 OD1 ASP A 46 23.405 22.338 1.475 1.00 74.33 O ATOM 665 OD2 ASP A 46 23.350 24.012 0.052 1.00 11.00 O ATOM 0 H ASP A 46 19.075 24.484 2.827 1.00 62.10 H new ATOM 0 HA ASP A 46 21.877 23.786 3.262 1.00 64.13 H new ATOM 0 HB2 ASP A 46 20.819 22.524 1.196 1.00 53.30 H new ATOM 0 HB3 ASP A 46 20.889 24.096 0.424 1.00 53.30 H new ATOM 670 N SER A 47 22.515 26.145 2.678 1.00 30.54 N ATOM 671 CA SER A 47 22.810 27.570 2.588 1.00 34.23 C ATOM 672 C SER A 47 24.031 27.818 1.708 1.00 74.42 C ATOM 673 O SER A 47 25.026 27.099 1.792 1.00 63.33 O ATOM 674 CB SER A 47 23.046 28.152 3.983 1.00 13.50 C ATOM 675 OG SER A 47 24.421 28.416 4.199 1.00 1.33 O ATOM 0 H SER A 47 23.310 25.566 2.947 1.00 30.54 H new ATOM 0 HA SER A 47 21.951 28.066 2.135 1.00 34.23 H new ATOM 0 HB2 SER A 47 22.473 29.072 4.098 1.00 13.50 H new ATOM 0 HB3 SER A 47 22.683 27.454 4.738 1.00 13.50 H new ATOM 0 HG SER A 47 24.595 28.478 5.161 1.00 1.33 H new ATOM 681 N SER A 48 23.946 28.840 0.863 1.00 13.53 N ATOM 682 CA SER A 48 25.041 29.182 -0.036 1.00 43.13 C ATOM 683 C SER A 48 26.273 29.622 0.750 1.00 55.31 C ATOM 684 O SER A 48 27.388 29.617 0.231 1.00 10.12 O ATOM 685 CB SER A 48 24.613 30.292 -0.998 1.00 15.11 C ATOM 686 OG SER A 48 24.193 29.756 -2.241 1.00 12.12 O ATOM 0 H SER A 48 23.129 29.446 0.782 1.00 13.53 H new ATOM 0 HA SER A 48 25.297 28.292 -0.611 1.00 43.13 H new ATOM 0 HB2 SER A 48 23.802 30.869 -0.554 1.00 15.11 H new ATOM 0 HB3 SER A 48 25.443 30.980 -1.157 1.00 15.11 H new ATOM 0 HG SER A 48 24.076 30.483 -2.888 1.00 12.12 H new ATOM 692 N ASN A 49 26.060 30.003 2.005 1.00 22.04 N ATOM 693 CA ASN A 49 27.152 30.447 2.864 1.00 12.15 C ATOM 694 C ASN A 49 27.762 31.744 2.342 1.00 10.20 C ATOM 695 O ASN A 49 27.730 32.020 1.142 1.00 24.31 O ATOM 696 CB ASN A 49 28.229 29.364 2.956 1.00 0.44 C ATOM 697 CG ASN A 49 29.063 29.484 4.217 1.00 11.04 C ATOM 698 OD1 ASN A 49 28.834 28.773 5.196 1.00 61.11 O ATOM 699 ND2 ASN A 49 30.036 30.387 4.199 1.00 3.13 N ATOM 0 H ASN A 49 25.142 30.013 2.450 1.00 22.04 H new ATOM 0 HA ASN A 49 26.746 30.632 3.859 1.00 12.15 H new ATOM 0 HB2 ASN A 49 27.756 28.382 2.928 1.00 0.44 H new ATOM 0 HB3 ASN A 49 28.881 29.429 2.085 1.00 0.44 H new ATOM 0 HD21 ASN A 49 30.630 30.513 5.019 1.00 3.13 H new ATOM 0 HD22 ASN A 49 30.190 30.954 3.365 1.00 3.13 H new ATOM 706 N THR A 50 28.318 32.539 3.251 1.00 23.44 N ATOM 707 CA THR A 50 28.935 33.807 2.884 1.00 64.45 C ATOM 708 C THR A 50 29.900 34.283 3.964 1.00 35.20 C ATOM 709 O THR A 50 31.102 34.402 3.728 1.00 52.33 O ATOM 710 CB THR A 50 27.876 34.898 2.640 1.00 35.52 C ATOM 711 OG1 THR A 50 26.613 34.295 2.336 1.00 33.44 O ATOM 712 CG2 THR A 50 28.293 35.813 1.500 1.00 45.24 C ATOM 0 H THR A 50 28.353 32.326 4.248 1.00 23.44 H new ATOM 0 HA THR A 50 29.486 33.634 1.960 1.00 64.45 H new ATOM 0 HB THR A 50 27.785 35.494 3.548 1.00 35.52 H new ATOM 0 HG1 THR A 50 26.156 34.822 1.648 1.00 33.44 H new ATOM 0 HG21 THR A 50 27.529 36.575 1.347 1.00 45.24 H new ATOM 0 HG22 THR A 50 29.240 36.293 1.747 1.00 45.24 H new ATOM 0 HG23 THR A 50 28.410 35.228 0.588 1.00 45.24 H new ATOM 720 N ASP A 51 29.365 34.553 5.150 1.00 61.31 N ATOM 721 CA ASP A 51 30.179 35.014 6.268 1.00 2.42 C ATOM 722 C ASP A 51 29.886 34.202 7.526 1.00 63.34 C ATOM 723 O ASP A 51 30.802 33.800 8.244 1.00 2.31 O ATOM 724 CB ASP A 51 29.924 36.499 6.534 1.00 35.33 C ATOM 725 CG ASP A 51 31.206 37.306 6.591 1.00 75.02 C ATOM 726 OD1 ASP A 51 32.000 37.092 7.530 1.00 14.44 O ATOM 727 OD2 ASP A 51 31.414 38.152 5.696 1.00 64.01 O ATOM 0 H ASP A 51 28.371 34.460 5.361 1.00 61.31 H new ATOM 0 HA ASP A 51 31.227 34.874 6.003 1.00 2.42 H new ATOM 0 HB2 ASP A 51 29.280 36.900 5.751 1.00 35.33 H new ATOM 0 HB3 ASP A 51 29.387 36.609 7.476 1.00 35.33 H new ATOM 732 N ILE A 52 28.605 33.964 7.785 1.00 0.22 N ATOM 733 CA ILE A 52 28.192 33.200 8.956 1.00 63.34 C ATOM 734 C ILE A 52 26.676 33.047 9.006 1.00 72.14 C ATOM 735 O ILE A 52 25.955 33.996 9.318 1.00 22.34 O ATOM 736 CB ILE A 52 28.673 33.863 10.260 1.00 64.14 C ATOM 737 CG1 ILE A 52 28.082 33.142 11.473 1.00 55.14 C ATOM 738 CG2 ILE A 52 28.295 35.336 10.275 1.00 12.45 C ATOM 739 CD1 ILE A 52 28.391 31.662 11.506 1.00 24.14 C ATOM 0 H ILE A 52 27.835 34.289 7.200 1.00 0.22 H new ATOM 0 HA ILE A 52 28.652 32.216 8.868 1.00 63.34 H new ATOM 0 HB ILE A 52 29.759 33.786 10.311 1.00 64.14 H new ATOM 0 HG12 ILE A 52 28.464 33.605 12.383 1.00 55.14 H new ATOM 0 HG13 ILE A 52 27.001 33.279 11.476 1.00 55.14 H new ATOM 0 HG21 ILE A 52 28.642 35.791 11.203 1.00 12.45 H new ATOM 0 HG22 ILE A 52 28.760 35.840 9.428 1.00 12.45 H new ATOM 0 HG23 ILE A 52 27.212 35.434 10.205 1.00 12.45 H new ATOM 0 HD11 ILE A 52 27.941 31.216 12.393 1.00 24.14 H new ATOM 0 HD12 ILE A 52 27.984 31.185 10.614 1.00 24.14 H new ATOM 0 HD13 ILE A 52 29.471 31.516 11.535 1.00 24.14 H new ATOM 751 N LEU A 53 26.197 31.847 8.697 1.00 23.32 N ATOM 752 CA LEU A 53 24.765 31.568 8.709 1.00 64.24 C ATOM 753 C LEU A 53 24.501 30.085 8.952 1.00 3.54 C ATOM 754 O LEU A 53 25.292 29.230 8.555 1.00 42.24 O ATOM 755 CB LEU A 53 24.131 32.000 7.385 1.00 22.34 C ATOM 756 CG LEU A 53 24.754 31.411 6.119 1.00 51.21 C ATOM 757 CD1 LEU A 53 23.686 31.163 5.065 1.00 43.34 C ATOM 758 CD2 LEU A 53 25.836 32.334 5.578 1.00 10.51 C ATOM 0 H LEU A 53 26.779 31.052 8.435 1.00 23.32 H new ATOM 0 HA LEU A 53 24.316 32.136 9.523 1.00 64.24 H new ATOM 0 HB2 LEU A 53 23.075 31.730 7.406 1.00 22.34 H new ATOM 0 HB3 LEU A 53 24.181 33.087 7.319 1.00 22.34 H new ATOM 0 HG LEU A 53 25.213 30.456 6.373 1.00 51.21 H new ATOM 0 HD11 LEU A 53 24.148 30.744 4.171 1.00 43.34 H new ATOM 0 HD12 LEU A 53 22.947 30.463 5.454 1.00 43.34 H new ATOM 0 HD13 LEU A 53 23.197 32.104 4.814 1.00 43.34 H new ATOM 0 HD21 LEU A 53 26.268 31.899 4.677 1.00 10.51 H new ATOM 0 HD22 LEU A 53 25.401 33.304 5.339 1.00 10.51 H new ATOM 0 HD23 LEU A 53 26.615 32.461 6.330 1.00 10.51 H new ATOM 770 N SER A 54 23.383 29.789 9.607 1.00 61.31 N ATOM 771 CA SER A 54 23.015 28.410 9.905 1.00 21.41 C ATOM 772 C SER A 54 21.528 28.177 9.653 1.00 44.43 C ATOM 773 O SER A 54 20.693 29.021 9.980 1.00 42.15 O ATOM 774 CB SER A 54 23.356 28.071 11.357 1.00 24.05 C ATOM 775 OG SER A 54 23.962 26.794 11.455 1.00 60.55 O ATOM 0 H SER A 54 22.717 30.485 9.941 1.00 61.31 H new ATOM 0 HA SER A 54 23.585 27.758 9.243 1.00 21.41 H new ATOM 0 HB2 SER A 54 24.028 28.828 11.762 1.00 24.05 H new ATOM 0 HB3 SER A 54 22.449 28.094 11.961 1.00 24.05 H new ATOM 0 HG SER A 54 24.171 26.602 12.393 1.00 60.55 H new ATOM 781 N ILE A 55 21.206 27.028 9.069 1.00 24.13 N ATOM 782 CA ILE A 55 19.821 26.684 8.774 1.00 62.53 C ATOM 783 C ILE A 55 19.380 25.455 9.562 1.00 61.34 C ATOM 784 O ILE A 55 20.043 24.418 9.536 1.00 34.51 O ATOM 785 CB ILE A 55 19.616 26.417 7.271 1.00 73.21 C ATOM 786 CG1 ILE A 55 20.273 27.521 6.440 1.00 22.22 C ATOM 787 CG2 ILE A 55 18.132 26.316 6.949 1.00 43.42 C ATOM 788 CD1 ILE A 55 19.658 28.886 6.655 1.00 61.04 C ATOM 0 H ILE A 55 21.885 26.320 8.791 1.00 24.13 H new ATOM 0 HA ILE A 55 19.213 27.539 9.069 1.00 62.53 H new ATOM 0 HB ILE A 55 20.089 25.468 7.018 1.00 73.21 H new ATOM 0 HG12 ILE A 55 21.334 27.567 6.685 1.00 22.22 H new ATOM 0 HG13 ILE A 55 20.201 27.261 5.384 1.00 22.22 H new ATOM 0 HG21 ILE A 55 18.003 26.127 5.883 1.00 43.42 H new ATOM 0 HG22 ILE A 55 17.691 25.498 7.518 1.00 43.42 H new ATOM 0 HG23 ILE A 55 17.638 27.251 7.214 1.00 43.42 H new ATOM 0 HD11 ILE A 55 20.173 29.619 6.034 1.00 61.04 H new ATOM 0 HD12 ILE A 55 18.603 28.857 6.382 1.00 61.04 H new ATOM 0 HD13 ILE A 55 19.754 29.167 7.704 1.00 61.04 H new ATOM 800 N SER A 56 18.256 25.578 10.260 1.00 51.41 N ATOM 801 CA SER A 56 17.726 24.478 11.057 1.00 4.33 C ATOM 802 C SER A 56 16.291 24.156 10.653 1.00 12.44 C ATOM 803 O SER A 56 15.388 24.974 10.826 1.00 71.10 O ATOM 804 CB SER A 56 17.784 24.826 12.546 1.00 34.11 C ATOM 805 OG SER A 56 18.334 23.758 13.298 1.00 12.53 O ATOM 0 H SER A 56 17.694 26.429 10.290 1.00 51.41 H new ATOM 0 HA SER A 56 18.342 23.598 10.872 1.00 4.33 H new ATOM 0 HB2 SER A 56 18.385 25.724 12.690 1.00 34.11 H new ATOM 0 HB3 SER A 56 16.782 25.052 12.909 1.00 34.11 H new ATOM 0 HG SER A 56 18.362 24.006 14.246 1.00 12.53 H new ATOM 811 N ASN A 57 16.089 22.958 10.114 1.00 11.43 N ATOM 812 CA ASN A 57 14.764 22.527 9.685 1.00 54.23 C ATOM 813 C ASN A 57 14.293 21.325 10.498 1.00 55.23 C ATOM 814 O ASN A 57 13.093 21.095 10.645 1.00 32.43 O ATOM 815 CB ASN A 57 14.777 22.176 8.195 1.00 14.35 C ATOM 816 CG ASN A 57 14.874 23.405 7.313 1.00 41.53 C ATOM 817 OD1 ASN A 57 15.208 24.494 7.780 1.00 12.33 O ATOM 818 ND2 ASN A 57 14.582 23.236 6.028 1.00 10.04 N ATOM 0 H ASN A 57 16.826 22.269 9.964 1.00 11.43 H new ATOM 0 HA ASN A 57 14.069 23.350 9.852 1.00 54.23 H new ATOM 0 HB2 ASN A 57 15.619 21.516 7.987 1.00 14.35 H new ATOM 0 HB3 ASN A 57 13.870 21.624 7.946 1.00 14.35 H new ATOM 0 HD21 ASN A 57 14.630 24.027 5.386 1.00 10.04 H new ATOM 0 HD22 ASN A 57 14.310 22.315 5.684 1.00 10.04 H new ATOM 825 N ALA A 58 15.246 20.563 11.023 1.00 11.04 N ATOM 826 CA ALA A 58 14.929 19.387 11.824 1.00 60.33 C ATOM 827 C ALA A 58 14.820 19.742 13.303 1.00 63.23 C ATOM 828 O ALA A 58 14.800 18.861 14.162 1.00 11.14 O ATOM 829 CB ALA A 58 15.980 18.307 11.614 1.00 24.10 C ATOM 0 H ALA A 58 16.244 20.739 10.908 1.00 11.04 H new ATOM 0 HA ALA A 58 13.961 19.006 11.497 1.00 60.33 H new ATOM 0 HB1 ALA A 58 15.731 17.435 12.218 1.00 24.10 H new ATOM 0 HB2 ALA A 58 16.006 18.024 10.562 1.00 24.10 H new ATOM 0 HB3 ALA A 58 16.957 18.687 11.912 1.00 24.10 H new ATOM 835 N SER A 59 14.752 21.037 13.592 1.00 55.31 N ATOM 836 CA SER A 59 14.650 21.509 14.968 1.00 35.10 C ATOM 837 C SER A 59 13.460 20.866 15.676 1.00 44.43 C ATOM 838 O SER A 59 13.445 20.744 16.901 1.00 51.23 O ATOM 839 CB SER A 59 14.513 23.032 14.999 1.00 44.44 C ATOM 840 OG SER A 59 15.442 23.609 15.901 1.00 54.44 O ATOM 0 H SER A 59 14.766 21.779 12.892 1.00 55.31 H new ATOM 0 HA SER A 59 15.562 21.223 15.492 1.00 35.10 H new ATOM 0 HB2 SER A 59 14.674 23.435 13.999 1.00 44.44 H new ATOM 0 HB3 SER A 59 13.499 23.303 15.293 1.00 44.44 H new ATOM 0 HG SER A 59 15.336 24.583 15.901 1.00 54.44 H new ATOM 846 N ASP A 60 12.466 20.458 14.895 1.00 21.34 N ATOM 847 CA ASP A 60 11.272 19.826 15.446 1.00 42.43 C ATOM 848 C ASP A 60 10.294 19.455 14.336 1.00 34.51 C ATOM 849 O ASP A 60 9.602 18.440 14.419 1.00 31.32 O ATOM 850 CB ASP A 60 10.593 20.759 16.450 1.00 22.11 C ATOM 851 CG ASP A 60 10.382 20.101 17.800 1.00 44.23 C ATOM 852 OD1 ASP A 60 10.000 18.913 17.827 1.00 72.02 O ATOM 853 OD2 ASP A 60 10.599 20.775 18.829 1.00 40.02 O ATOM 0 H ASP A 60 12.463 20.553 13.879 1.00 21.34 H new ATOM 0 HA ASP A 60 11.576 18.913 15.958 1.00 42.43 H new ATOM 0 HB2 ASP A 60 11.200 21.655 16.577 1.00 22.11 H new ATOM 0 HB3 ASP A 60 9.631 21.079 16.051 1.00 22.11 H new ATOM 858 N SER A 61 10.240 20.284 13.298 1.00 25.44 N ATOM 859 CA SER A 61 9.343 20.045 12.174 1.00 20.53 C ATOM 860 C SER A 61 9.416 21.189 11.168 1.00 15.33 C ATOM 861 O SER A 61 9.966 21.039 10.077 1.00 23.43 O ATOM 862 CB SER A 61 7.905 19.876 12.669 1.00 22.31 C ATOM 863 OG SER A 61 6.976 20.344 11.707 1.00 44.12 O ATOM 0 H SER A 61 10.807 21.127 13.213 1.00 25.44 H new ATOM 0 HA SER A 61 9.659 19.128 11.677 1.00 20.53 H new ATOM 0 HB2 SER A 61 7.712 18.825 12.884 1.00 22.31 H new ATOM 0 HB3 SER A 61 7.772 20.422 13.603 1.00 22.31 H new ATOM 0 HG SER A 61 6.065 20.223 12.047 1.00 44.12 H new ATOM 869 N HIS A 62 8.855 22.335 11.544 1.00 61.25 N ATOM 870 CA HIS A 62 8.856 23.507 10.675 1.00 30.22 C ATOM 871 C HIS A 62 10.281 23.915 10.315 1.00 3.11 C ATOM 872 O HIS A 62 11.212 23.708 11.092 1.00 21.42 O ATOM 873 CB HIS A 62 8.136 24.672 11.355 1.00 73.22 C ATOM 874 CG HIS A 62 8.856 25.203 12.556 1.00 71.41 C ATOM 875 ND1 HIS A 62 8.932 26.547 12.855 1.00 74.40 N ATOM 876 CD2 HIS A 62 9.534 24.562 13.537 1.00 71.35 C ATOM 877 CE1 HIS A 62 9.626 26.709 13.967 1.00 44.53 C ATOM 878 NE2 HIS A 62 10.003 25.520 14.401 1.00 41.23 N ATOM 0 H HIS A 62 8.395 22.477 12.443 1.00 61.25 H new ATOM 0 HA HIS A 62 8.328 23.249 9.757 1.00 30.22 H new ATOM 0 HB2 HIS A 62 8.006 25.479 10.634 1.00 73.22 H new ATOM 0 HB3 HIS A 62 7.139 24.348 11.653 1.00 73.22 H new ATOM 0 HD2 HIS A 62 9.679 23.495 13.624 1.00 71.35 H new ATOM 0 HE1 HIS A 62 9.848 27.654 14.441 1.00 44.53 H new ATOM 0 HE2 HIS A 62 10.553 25.342 15.241 1.00 41.23 H new ATOM 886 N GLY A 63 10.444 24.496 9.130 1.00 0.54 N ATOM 887 CA GLY A 63 11.759 24.924 8.688 1.00 75.51 C ATOM 888 C GLY A 63 12.135 26.291 9.223 1.00 33.24 C ATOM 889 O GLY A 63 11.265 27.120 9.495 1.00 5.21 O ATOM 0 H GLY A 63 9.689 24.678 8.468 1.00 0.54 H new ATOM 0 HA2 GLY A 63 12.502 24.194 9.010 1.00 75.51 H new ATOM 0 HA3 GLY A 63 11.784 24.945 7.598 1.00 75.51 H new ATOM 893 N LEU A 64 13.433 26.527 9.378 1.00 53.24 N ATOM 894 CA LEU A 64 13.923 27.804 9.886 1.00 32.32 C ATOM 895 C LEU A 64 15.298 28.127 9.311 1.00 51.41 C ATOM 896 O LEU A 64 16.093 27.230 9.036 1.00 63.35 O ATOM 897 CB LEU A 64 13.991 27.774 11.414 1.00 14.11 C ATOM 898 CG LEU A 64 12.666 27.535 12.140 1.00 24.22 C ATOM 899 CD1 LEU A 64 12.406 26.045 12.299 1.00 63.22 C ATOM 900 CD2 LEU A 64 12.670 28.225 13.497 1.00 73.24 C ATOM 0 H LEU A 64 14.165 25.851 9.159 1.00 53.24 H new ATOM 0 HA LEU A 64 13.227 28.583 9.574 1.00 32.32 H new ATOM 0 HB2 LEU A 64 14.691 26.993 11.711 1.00 14.11 H new ATOM 0 HB3 LEU A 64 14.405 28.722 11.758 1.00 14.11 H new ATOM 0 HG LEU A 64 11.862 27.961 11.540 1.00 24.22 H new ATOM 0 HD11 LEU A 64 11.459 25.894 12.818 1.00 63.22 H new ATOM 0 HD12 LEU A 64 12.360 25.577 11.316 1.00 63.22 H new ATOM 0 HD13 LEU A 64 13.212 25.595 12.878 1.00 63.22 H new ATOM 0 HD21 LEU A 64 11.720 28.045 14.000 1.00 73.24 H new ATOM 0 HD22 LEU A 64 13.483 27.828 14.105 1.00 73.24 H new ATOM 0 HD23 LEU A 64 12.810 29.297 13.360 1.00 73.24 H new ATOM 912 N ALA A 65 15.571 29.416 9.134 1.00 62.10 N ATOM 913 CA ALA A 65 16.852 29.858 8.596 1.00 54.32 C ATOM 914 C ALA A 65 17.343 31.113 9.309 1.00 12.32 C ATOM 915 O ALA A 65 16.630 32.114 9.386 1.00 45.32 O ATOM 916 CB ALA A 65 16.737 30.110 7.100 1.00 55.13 C ATOM 0 H ALA A 65 14.923 30.172 9.355 1.00 62.10 H new ATOM 0 HA ALA A 65 17.582 29.066 8.765 1.00 54.32 H new ATOM 0 HB1 ALA A 65 17.701 30.439 6.711 1.00 55.13 H new ATOM 0 HB2 ALA A 65 16.439 29.190 6.598 1.00 55.13 H new ATOM 0 HB3 ALA A 65 15.989 30.882 6.917 1.00 55.13 H new ATOM 922 N SER A 66 18.564 31.052 9.831 1.00 51.42 N ATOM 923 CA SER A 66 19.148 32.183 10.542 1.00 4.03 C ATOM 924 C SER A 66 20.447 32.630 9.878 1.00 2.12 C ATOM 925 O SER A 66 21.250 31.806 9.439 1.00 4.05 O ATOM 926 CB SER A 66 19.411 31.813 12.003 1.00 35.14 C ATOM 927 OG SER A 66 19.671 32.967 12.783 1.00 5.20 O ATOM 0 H SER A 66 19.168 30.232 9.775 1.00 51.42 H new ATOM 0 HA SER A 66 18.438 33.009 10.505 1.00 4.03 H new ATOM 0 HB2 SER A 66 18.549 31.283 12.408 1.00 35.14 H new ATOM 0 HB3 SER A 66 20.260 31.132 12.062 1.00 35.14 H new ATOM 0 HG SER A 66 19.834 32.704 13.713 1.00 5.20 H new ATOM 933 N THR A 67 20.647 33.943 9.808 1.00 63.54 N ATOM 934 CA THR A 67 21.847 34.501 9.197 1.00 53.04 C ATOM 935 C THR A 67 22.442 35.605 10.063 1.00 53.43 C ATOM 936 O THR A 67 21.726 36.284 10.800 1.00 55.31 O ATOM 937 CB THR A 67 21.552 35.067 7.795 1.00 72.45 C ATOM 938 OG1 THR A 67 20.825 36.295 7.905 1.00 55.12 O ATOM 939 CG2 THR A 67 20.753 34.071 6.967 1.00 41.25 C ATOM 0 H THR A 67 19.993 34.639 10.167 1.00 63.54 H new ATOM 0 HA THR A 67 22.565 33.686 9.108 1.00 53.04 H new ATOM 0 HB THR A 67 22.503 35.252 7.295 1.00 72.45 H new ATOM 0 HG1 THR A 67 20.039 36.264 7.320 1.00 55.12 H new ATOM 0 HG21 THR A 67 20.556 34.492 5.981 1.00 41.25 H new ATOM 0 HG22 THR A 67 21.322 33.147 6.860 1.00 41.25 H new ATOM 0 HG23 THR A 67 19.807 33.859 7.466 1.00 41.25 H new ATOM 947 N LEU A 68 23.755 35.781 9.969 1.00 1.21 N ATOM 948 CA LEU A 68 24.447 36.805 10.744 1.00 2.13 C ATOM 949 C LEU A 68 25.618 37.386 9.957 1.00 33.42 C ATOM 950 O LEU A 68 26.660 37.711 10.525 1.00 74.31 O ATOM 951 CB LEU A 68 24.947 36.221 12.067 1.00 73.23 C ATOM 952 CG LEU A 68 24.027 35.201 12.740 1.00 44.02 C ATOM 953 CD1 LEU A 68 24.310 33.801 12.217 1.00 12.11 C ATOM 954 CD2 LEU A 68 24.192 35.251 14.252 1.00 71.02 C ATOM 0 H LEU A 68 24.362 35.228 9.364 1.00 1.21 H new ATOM 0 HA LEU A 68 23.739 37.607 10.952 1.00 2.13 H new ATOM 0 HB2 LEU A 68 25.913 35.748 11.891 1.00 73.23 H new ATOM 0 HB3 LEU A 68 25.116 37.043 12.763 1.00 73.23 H new ATOM 0 HG LEU A 68 22.995 35.455 12.498 1.00 44.02 H new ATOM 0 HD11 LEU A 68 23.646 33.089 12.707 1.00 12.11 H new ATOM 0 HD12 LEU A 68 24.141 33.774 11.141 1.00 12.11 H new ATOM 0 HD13 LEU A 68 25.346 33.536 12.428 1.00 12.11 H new ATOM 0 HD21 LEU A 68 23.530 34.519 14.715 1.00 71.02 H new ATOM 0 HD22 LEU A 68 25.225 35.022 14.513 1.00 71.02 H new ATOM 0 HD23 LEU A 68 23.939 36.248 14.613 1.00 71.02 H new ATOM 966 N ASN A 69 25.437 37.515 8.647 1.00 61.42 N ATOM 967 CA ASN A 69 26.478 38.058 7.782 1.00 71.14 C ATOM 968 C ASN A 69 26.065 39.415 7.221 1.00 44.51 C ATOM 969 O ASN A 69 24.943 39.871 7.436 1.00 74.00 O ATOM 970 CB ASN A 69 26.774 37.089 6.635 1.00 25.23 C ATOM 971 CG ASN A 69 25.512 36.501 6.034 1.00 44.33 C ATOM 972 OD1 ASN A 69 25.014 36.984 5.017 1.00 75.42 O ATOM 973 ND2 ASN A 69 24.990 35.454 6.662 1.00 52.45 N ATOM 0 H ASN A 69 24.580 37.251 8.161 1.00 61.42 H new ATOM 0 HA ASN A 69 27.380 38.190 8.380 1.00 71.14 H new ATOM 0 HB2 ASN A 69 27.334 37.610 5.859 1.00 25.23 H new ATOM 0 HB3 ASN A 69 27.410 36.282 7.000 1.00 25.23 H new ATOM 0 HD21 ASN A 69 24.141 35.016 6.304 1.00 52.45 H new ATOM 0 HD22 ASN A 69 25.438 35.088 7.502 1.00 52.45 H new ATOM 980 N GLN A 70 26.981 40.055 6.501 1.00 4.31 N ATOM 981 CA GLN A 70 26.712 41.361 5.910 1.00 65.33 C ATOM 982 C GLN A 70 26.801 41.298 4.388 1.00 31.24 C ATOM 983 O GLN A 70 27.419 42.153 3.757 1.00 41.44 O ATOM 984 CB GLN A 70 27.698 42.400 6.447 1.00 15.31 C ATOM 985 CG GLN A 70 27.859 42.361 7.958 1.00 2.11 C ATOM 986 CD GLN A 70 28.903 43.340 8.459 1.00 54.31 C ATOM 987 OE1 GLN A 70 29.185 44.349 7.812 1.00 13.42 O ATOM 988 NE2 GLN A 70 29.482 43.047 9.617 1.00 3.11 N ATOM 0 H GLN A 70 27.915 39.691 6.313 1.00 4.31 H new ATOM 0 HA GLN A 70 25.699 41.655 6.185 1.00 65.33 H new ATOM 0 HB2 GLN A 70 28.671 42.240 5.982 1.00 15.31 H new ATOM 0 HB3 GLN A 70 27.363 43.394 6.151 1.00 15.31 H new ATOM 0 HG2 GLN A 70 26.901 42.585 8.428 1.00 2.11 H new ATOM 0 HG3 GLN A 70 28.136 41.352 8.264 1.00 2.11 H new ATOM 0 HE21 GLN A 70 29.217 42.200 10.120 1.00 3.11 H new ATOM 0 HE22 GLN A 70 30.191 43.669 10.004 1.00 3.11 H new ATOM 997 N GLY A 71 26.178 40.277 3.806 1.00 44.41 N ATOM 998 CA GLY A 71 26.200 40.121 2.363 1.00 14.52 C ATOM 999 C GLY A 71 24.925 39.499 1.829 1.00 51.45 C ATOM 1000 O GLY A 71 23.826 39.965 2.128 1.00 23.32 O ATOM 0 H GLY A 71 25.659 39.556 4.308 1.00 44.41 H new ATOM 0 HA2 GLY A 71 26.348 41.095 1.897 1.00 14.52 H new ATOM 0 HA3 GLY A 71 27.050 39.500 2.080 1.00 14.52 H new ATOM 1004 N ASN A 72 25.071 38.445 1.033 1.00 64.12 N ATOM 1005 CA ASN A 72 23.922 37.759 0.453 1.00 41.40 C ATOM 1006 C ASN A 72 23.928 36.279 0.822 1.00 4.14 C ATOM 1007 O ASN A 72 24.973 35.628 0.804 1.00 71.24 O ATOM 1008 CB ASN A 72 23.923 37.917 -1.069 1.00 33.31 C ATOM 1009 CG ASN A 72 22.977 36.947 -1.751 1.00 14.23 C ATOM 1010 OD1 ASN A 72 23.377 35.859 -2.164 1.00 31.34 O ATOM 1011 ND2 ASN A 72 21.714 37.340 -1.872 1.00 32.41 N ATOM 0 H ASN A 72 25.974 38.047 0.775 1.00 64.12 H new ATOM 0 HA ASN A 72 23.017 38.212 0.858 1.00 41.40 H new ATOM 0 HB2 ASN A 72 23.640 38.938 -1.326 1.00 33.31 H new ATOM 0 HB3 ASN A 72 24.933 37.762 -1.447 1.00 33.31 H new ATOM 0 HD21 ASN A 72 21.031 36.731 -2.322 1.00 32.41 H new ATOM 0 HD22 ASN A 72 21.427 38.251 -1.515 1.00 32.41 H new ATOM 1018 N VAL A 73 22.754 35.754 1.158 1.00 63.52 N ATOM 1019 CA VAL A 73 22.623 34.350 1.530 1.00 64.11 C ATOM 1020 C VAL A 73 21.541 33.662 0.706 1.00 62.52 C ATOM 1021 O VAL A 73 20.470 34.223 0.474 1.00 63.23 O ATOM 1022 CB VAL A 73 22.291 34.195 3.026 1.00 71.52 C ATOM 1023 CG1 VAL A 73 23.435 34.712 3.884 1.00 64.31 C ATOM 1024 CG2 VAL A 73 20.994 34.916 3.361 1.00 43.23 C ATOM 0 H VAL A 73 21.880 36.280 1.180 1.00 63.52 H new ATOM 0 HA VAL A 73 23.584 33.878 1.328 1.00 64.11 H new ATOM 0 HB VAL A 73 22.157 33.135 3.243 1.00 71.52 H new ATOM 0 HG11 VAL A 73 23.182 34.594 4.938 1.00 64.31 H new ATOM 0 HG12 VAL A 73 24.340 34.146 3.663 1.00 64.31 H new ATOM 0 HG13 VAL A 73 23.604 35.767 3.667 1.00 64.31 H new ATOM 0 HG21 VAL A 73 20.775 34.796 4.422 1.00 43.23 H new ATOM 0 HG22 VAL A 73 21.097 35.976 3.129 1.00 43.23 H new ATOM 0 HG23 VAL A 73 20.180 34.493 2.772 1.00 43.23 H new ATOM 1034 N LYS A 74 21.827 32.441 0.266 1.00 62.13 N ATOM 1035 CA LYS A 74 20.879 31.673 -0.532 1.00 35.32 C ATOM 1036 C LYS A 74 20.332 30.490 0.262 1.00 2.42 C ATOM 1037 O LYS A 74 21.093 29.695 0.813 1.00 63.55 O ATOM 1038 CB LYS A 74 21.546 31.174 -1.815 1.00 60.04 C ATOM 1039 CG LYS A 74 20.682 31.338 -3.054 1.00 11.13 C ATOM 1040 CD LYS A 74 20.560 32.797 -3.459 1.00 13.40 C ATOM 1041 CE LYS A 74 21.160 33.046 -4.834 1.00 43.11 C ATOM 1042 NZ LYS A 74 20.639 34.298 -5.449 1.00 2.43 N ATOM 0 H LYS A 74 22.709 31.962 0.449 1.00 62.13 H new ATOM 0 HA LYS A 74 20.048 32.329 -0.793 1.00 35.32 H new ATOM 0 HB2 LYS A 74 22.482 31.713 -1.961 1.00 60.04 H new ATOM 0 HB3 LYS A 74 21.800 30.121 -1.696 1.00 60.04 H new ATOM 0 HG2 LYS A 74 21.111 30.766 -3.876 1.00 11.13 H new ATOM 0 HG3 LYS A 74 19.690 30.928 -2.864 1.00 11.13 H new ATOM 0 HD2 LYS A 74 19.510 33.088 -3.461 1.00 13.40 H new ATOM 0 HD3 LYS A 74 21.063 33.423 -2.722 1.00 13.40 H new ATOM 0 HE2 LYS A 74 22.245 33.107 -4.751 1.00 43.11 H new ATOM 0 HE3 LYS A 74 20.937 32.201 -5.486 1.00 43.11 H new ATOM 0 HZ1 LYS A 74 21.397 34.759 -5.992 1.00 2.43 H new ATOM 0 HZ2 LYS A 74 19.848 34.070 -6.084 1.00 2.43 H new ATOM 0 HZ3 LYS A 74 20.308 34.941 -4.701 1.00 2.43 H new ATOM 1056 N VAL A 75 19.009 30.381 0.316 1.00 34.43 N ATOM 1057 CA VAL A 75 18.361 29.294 1.041 1.00 74.24 C ATOM 1058 C VAL A 75 17.643 28.348 0.085 1.00 73.41 C ATOM 1059 O VAL A 75 16.732 28.751 -0.640 1.00 5.20 O ATOM 1060 CB VAL A 75 17.349 29.830 2.071 1.00 50.54 C ATOM 1061 CG1 VAL A 75 16.618 28.682 2.749 1.00 12.35 C ATOM 1062 CG2 VAL A 75 18.049 30.709 3.097 1.00 60.42 C ATOM 0 H VAL A 75 18.365 31.032 -0.133 1.00 34.43 H new ATOM 0 HA VAL A 75 19.147 28.750 1.565 1.00 74.24 H new ATOM 0 HB VAL A 75 16.612 30.439 1.548 1.00 50.54 H new ATOM 0 HG11 VAL A 75 15.907 29.080 3.473 1.00 12.35 H new ATOM 0 HG12 VAL A 75 16.084 28.098 2.000 1.00 12.35 H new ATOM 0 HG13 VAL A 75 17.338 28.044 3.261 1.00 12.35 H new ATOM 0 HG21 VAL A 75 17.319 31.079 3.817 1.00 60.42 H new ATOM 0 HG22 VAL A 75 18.809 30.126 3.617 1.00 60.42 H new ATOM 0 HG23 VAL A 75 18.521 31.552 2.592 1.00 60.42 H new ATOM 1072 N THR A 76 18.058 27.085 0.088 1.00 34.52 N ATOM 1073 CA THR A 76 17.455 26.080 -0.779 1.00 21.23 C ATOM 1074 C THR A 76 16.817 24.961 0.037 1.00 53.31 C ATOM 1075 O THR A 76 17.426 24.433 0.966 1.00 31.51 O ATOM 1076 CB THR A 76 18.494 25.471 -1.739 1.00 71.33 C ATOM 1077 OG1 THR A 76 19.676 26.278 -1.758 1.00 42.33 O ATOM 1078 CG2 THR A 76 17.928 25.357 -3.147 1.00 3.51 C ATOM 0 H THR A 76 18.810 26.734 0.681 1.00 34.52 H new ATOM 0 HA THR A 76 16.685 26.586 -1.361 1.00 21.23 H new ATOM 0 HB THR A 76 18.743 24.472 -1.383 1.00 71.33 H new ATOM 0 HG1 THR A 76 20.332 25.883 -2.369 1.00 42.33 H new ATOM 0 HG21 THR A 76 18.680 24.924 -3.807 1.00 3.51 H new ATOM 0 HG22 THR A 76 17.045 24.718 -3.134 1.00 3.51 H new ATOM 0 HG23 THR A 76 17.653 26.347 -3.510 1.00 3.51 H new ATOM 1086 N ALA A 77 15.586 24.605 -0.317 1.00 42.23 N ATOM 1087 CA ALA A 77 14.867 23.547 0.381 1.00 55.14 C ATOM 1088 C ALA A 77 14.280 22.541 -0.604 1.00 31.24 C ATOM 1089 O ALA A 77 13.671 22.919 -1.604 1.00 42.33 O ATOM 1090 CB ALA A 77 13.768 24.141 1.249 1.00 34.35 C ATOM 0 H ALA A 77 15.067 25.034 -1.083 1.00 42.23 H new ATOM 0 HA ALA A 77 15.575 23.020 1.020 1.00 55.14 H new ATOM 0 HB1 ALA A 77 13.239 23.340 1.765 1.00 34.35 H new ATOM 0 HB2 ALA A 77 14.209 24.816 1.983 1.00 34.35 H new ATOM 0 HB3 ALA A 77 13.068 24.694 0.622 1.00 34.35 H new ATOM 1096 N SER A 78 14.468 21.257 -0.313 1.00 54.40 N ATOM 1097 CA SER A 78 13.961 20.196 -1.175 1.00 54.33 C ATOM 1098 C SER A 78 13.379 19.055 -0.347 1.00 72.31 C ATOM 1099 O SER A 78 13.947 18.660 0.671 1.00 24.13 O ATOM 1100 CB SER A 78 15.076 19.668 -2.080 1.00 0.53 C ATOM 1101 OG SER A 78 15.958 18.823 -1.361 1.00 51.24 O ATOM 0 H SER A 78 14.968 20.927 0.513 1.00 54.40 H new ATOM 0 HA SER A 78 13.167 20.613 -1.795 1.00 54.33 H new ATOM 0 HB2 SER A 78 14.642 19.119 -2.915 1.00 0.53 H new ATOM 0 HB3 SER A 78 15.632 20.504 -2.503 1.00 0.53 H new ATOM 0 HG SER A 78 16.661 18.497 -1.961 1.00 51.24 H new ATOM 1107 N ILE A 79 12.242 18.529 -0.792 1.00 3.22 N ATOM 1108 CA ILE A 79 11.584 17.433 -0.093 1.00 74.42 C ATOM 1109 C ILE A 79 11.068 16.386 -1.075 1.00 40.01 C ATOM 1110 O ILE A 79 10.435 16.718 -2.076 1.00 75.42 O ATOM 1111 CB ILE A 79 10.409 17.937 0.766 1.00 51.13 C ATOM 1112 CG1 ILE A 79 9.661 16.757 1.389 1.00 20.04 C ATOM 1113 CG2 ILE A 79 9.465 18.785 -0.074 1.00 2.34 C ATOM 1114 CD1 ILE A 79 9.354 16.945 2.859 1.00 62.43 C ATOM 0 H ILE A 79 11.758 18.844 -1.633 1.00 3.22 H new ATOM 0 HA ILE A 79 12.332 16.981 0.558 1.00 74.42 H new ATOM 0 HB ILE A 79 10.806 18.557 1.570 1.00 51.13 H new ATOM 0 HG12 ILE A 79 8.728 16.602 0.848 1.00 20.04 H new ATOM 0 HG13 ILE A 79 10.256 15.853 1.263 1.00 20.04 H new ATOM 0 HG21 ILE A 79 8.640 19.134 0.547 1.00 2.34 H new ATOM 0 HG22 ILE A 79 10.005 19.643 -0.475 1.00 2.34 H new ATOM 0 HG23 ILE A 79 9.073 18.187 -0.896 1.00 2.34 H new ATOM 0 HD11 ILE A 79 8.823 16.070 3.235 1.00 62.43 H new ATOM 0 HD12 ILE A 79 10.285 17.069 3.412 1.00 62.43 H new ATOM 0 HD13 ILE A 79 8.733 17.831 2.991 1.00 62.43 H new ATOM 1126 N GLY A 80 11.343 15.119 -0.780 1.00 30.00 N ATOM 1127 CA GLY A 80 10.898 14.042 -1.645 1.00 42.45 C ATOM 1128 C GLY A 80 11.533 14.104 -3.020 1.00 64.24 C ATOM 1129 O GLY A 80 12.676 13.687 -3.203 1.00 63.01 O ATOM 0 H GLY A 80 11.866 14.819 0.043 1.00 30.00 H new ATOM 0 HA2 GLY A 80 11.136 13.085 -1.181 1.00 42.45 H new ATOM 0 HA3 GLY A 80 9.814 14.086 -1.746 1.00 42.45 H new ATOM 1133 N GLY A 81 10.789 14.624 -3.992 1.00 4.21 N ATOM 1134 CA GLY A 81 11.303 14.727 -5.345 1.00 52.23 C ATOM 1135 C GLY A 81 11.482 16.165 -5.790 1.00 11.45 C ATOM 1136 O GLY A 81 12.544 16.540 -6.288 1.00 12.33 O ATOM 0 H GLY A 81 9.840 14.976 -3.866 1.00 4.21 H new ATOM 0 HA2 GLY A 81 12.260 14.209 -5.407 1.00 52.23 H new ATOM 0 HA3 GLY A 81 10.622 14.221 -6.029 1.00 52.23 H new ATOM 1140 N ILE A 82 10.441 16.972 -5.611 1.00 3.12 N ATOM 1141 CA ILE A 82 10.489 18.377 -5.998 1.00 30.44 C ATOM 1142 C ILE A 82 11.379 19.177 -5.053 1.00 41.00 C ATOM 1143 O ILE A 82 11.554 18.811 -3.891 1.00 42.22 O ATOM 1144 CB ILE A 82 9.082 19.004 -6.014 1.00 65.14 C ATOM 1145 CG1 ILE A 82 8.107 18.102 -6.774 1.00 2.21 C ATOM 1146 CG2 ILE A 82 9.128 20.390 -6.640 1.00 61.23 C ATOM 1147 CD1 ILE A 82 8.440 17.953 -8.242 1.00 1.31 C ATOM 0 H ILE A 82 9.555 16.677 -5.201 1.00 3.12 H new ATOM 0 HA ILE A 82 10.906 18.414 -7.004 1.00 30.44 H new ATOM 0 HB ILE A 82 8.731 19.102 -4.987 1.00 65.14 H new ATOM 0 HG12 ILE A 82 8.100 17.116 -6.310 1.00 2.21 H new ATOM 0 HG13 ILE A 82 7.100 18.507 -6.678 1.00 2.21 H new ATOM 0 HG21 ILE A 82 8.127 20.821 -6.644 1.00 61.23 H new ATOM 0 HG22 ILE A 82 9.795 21.029 -6.061 1.00 61.23 H new ATOM 0 HG23 ILE A 82 9.495 20.315 -7.664 1.00 61.23 H new ATOM 0 HD11 ILE A 82 7.707 17.301 -8.717 1.00 1.31 H new ATOM 0 HD12 ILE A 82 8.419 18.932 -8.721 1.00 1.31 H new ATOM 0 HD13 ILE A 82 9.434 17.519 -8.347 1.00 1.31 H new ATOM 1159 N GLN A 83 11.937 20.272 -5.560 1.00 63.51 N ATOM 1160 CA GLN A 83 12.809 21.125 -4.761 1.00 34.44 C ATOM 1161 C GLN A 83 12.603 22.594 -5.112 1.00 41.31 C ATOM 1162 O GLN A 83 12.051 22.921 -6.162 1.00 33.42 O ATOM 1163 CB GLN A 83 14.273 20.737 -4.974 1.00 72.20 C ATOM 1164 CG GLN A 83 14.831 21.184 -6.315 1.00 44.31 C ATOM 1165 CD GLN A 83 16.278 20.774 -6.511 1.00 75.23 C ATOM 1166 OE1 GLN A 83 17.080 20.818 -5.578 1.00 14.10 O ATOM 1167 NE2 GLN A 83 16.619 20.371 -7.730 1.00 33.23 N ATOM 0 H GLN A 83 11.801 20.589 -6.520 1.00 63.51 H new ATOM 0 HA GLN A 83 12.553 20.982 -3.711 1.00 34.44 H new ATOM 0 HB2 GLN A 83 14.875 21.171 -4.176 1.00 72.20 H new ATOM 0 HB3 GLN A 83 14.369 19.654 -4.892 1.00 72.20 H new ATOM 0 HG2 GLN A 83 14.225 20.760 -7.116 1.00 44.31 H new ATOM 0 HG3 GLN A 83 14.750 22.268 -6.395 1.00 44.31 H new ATOM 0 HE21 GLN A 83 15.922 20.350 -8.474 1.00 33.23 H new ATOM 0 HE22 GLN A 83 17.578 20.082 -7.922 1.00 33.23 H new ATOM 1176 N GLY A 84 13.052 23.478 -4.226 1.00 14.23 N ATOM 1177 CA GLY A 84 12.907 24.903 -4.460 1.00 40.05 C ATOM 1178 C GLY A 84 14.121 25.691 -4.010 1.00 62.03 C ATOM 1179 O GLY A 84 15.039 25.138 -3.404 1.00 72.12 O ATOM 0 H GLY A 84 13.514 23.233 -3.350 1.00 14.23 H new ATOM 0 HA2 GLY A 84 12.737 25.078 -5.522 1.00 40.05 H new ATOM 0 HA3 GLY A 84 12.025 25.267 -3.932 1.00 40.05 H new ATOM 1183 N SER A 85 14.128 26.986 -4.309 1.00 0.35 N ATOM 1184 CA SER A 85 15.241 27.851 -3.935 1.00 64.32 C ATOM 1185 C SER A 85 14.748 29.251 -3.583 1.00 71.21 C ATOM 1186 O SER A 85 13.678 29.675 -4.023 1.00 25.50 O ATOM 1187 CB SER A 85 16.259 27.928 -5.075 1.00 0.10 C ATOM 1188 OG SER A 85 15.619 28.177 -6.314 1.00 53.53 O ATOM 0 H SER A 85 13.376 27.459 -4.809 1.00 0.35 H new ATOM 0 HA SER A 85 15.722 27.423 -3.055 1.00 64.32 H new ATOM 0 HB2 SER A 85 16.981 28.719 -4.870 1.00 0.10 H new ATOM 0 HB3 SER A 85 16.817 26.994 -5.132 1.00 0.10 H new ATOM 0 HG SER A 85 16.291 28.223 -7.026 1.00 53.53 H new ATOM 1194 N THR A 86 15.535 29.966 -2.786 1.00 23.15 N ATOM 1195 CA THR A 86 15.180 31.317 -2.372 1.00 54.52 C ATOM 1196 C THR A 86 16.419 32.196 -2.239 1.00 35.42 C ATOM 1197 O THR A 86 17.518 31.701 -1.988 1.00 74.20 O ATOM 1198 CB THR A 86 14.420 31.314 -1.032 1.00 63.41 C ATOM 1199 OG1 THR A 86 13.643 30.117 -0.913 1.00 22.23 O ATOM 1200 CG2 THR A 86 13.511 32.528 -0.922 1.00 33.10 C ATOM 0 H THR A 86 16.424 29.631 -2.414 1.00 23.15 H new ATOM 0 HA THR A 86 14.531 31.724 -3.148 1.00 54.52 H new ATOM 0 HB THR A 86 15.151 31.354 -0.225 1.00 63.41 H new ATOM 0 HG1 THR A 86 13.562 29.872 0.032 1.00 22.23 H new ATOM 0 HG21 THR A 86 12.985 32.504 0.032 1.00 33.10 H new ATOM 0 HG22 THR A 86 14.109 33.437 -0.984 1.00 33.10 H new ATOM 0 HG23 THR A 86 12.786 32.515 -1.736 1.00 33.10 H new ATOM 1208 N ASP A 87 16.234 33.500 -2.407 1.00 50.32 N ATOM 1209 CA ASP A 87 17.337 34.448 -2.304 1.00 3.23 C ATOM 1210 C ASP A 87 17.142 35.381 -1.112 1.00 65.23 C ATOM 1211 O ASP A 87 16.075 35.969 -0.939 1.00 34.42 O ATOM 1212 CB ASP A 87 17.459 35.264 -3.591 1.00 42.34 C ATOM 1213 CG ASP A 87 18.301 36.512 -3.409 1.00 23.32 C ATOM 1214 OD1 ASP A 87 19.538 36.419 -3.556 1.00 13.11 O ATOM 1215 OD2 ASP A 87 17.724 37.580 -3.118 1.00 11.50 O ATOM 0 H ASP A 87 15.331 33.925 -2.615 1.00 50.32 H new ATOM 0 HA ASP A 87 18.257 33.882 -2.154 1.00 3.23 H new ATOM 0 HB2 ASP A 87 17.899 34.643 -4.371 1.00 42.34 H new ATOM 0 HB3 ASP A 87 16.464 35.548 -3.933 1.00 42.34 H new ATOM 1220 N PHE A 88 18.181 35.511 -0.293 1.00 72.21 N ATOM 1221 CA PHE A 88 18.123 36.370 0.884 1.00 43.34 C ATOM 1222 C PHE A 88 19.306 37.334 0.911 1.00 12.32 C ATOM 1223 O PHE A 88 20.418 36.983 0.517 1.00 71.04 O ATOM 1224 CB PHE A 88 18.110 35.525 2.159 1.00 63.33 C ATOM 1225 CG PHE A 88 16.755 34.972 2.498 1.00 44.31 C ATOM 1226 CD1 PHE A 88 16.345 33.749 1.993 1.00 22.12 C ATOM 1227 CD2 PHE A 88 15.892 35.677 3.321 1.00 74.10 C ATOM 1228 CE1 PHE A 88 15.099 33.238 2.304 1.00 61.53 C ATOM 1229 CE2 PHE A 88 14.645 35.170 3.635 1.00 13.42 C ATOM 1230 CZ PHE A 88 14.247 33.950 3.125 1.00 64.11 C ATOM 0 H PHE A 88 19.073 35.033 -0.423 1.00 72.21 H new ATOM 0 HA PHE A 88 17.203 36.952 0.834 1.00 43.34 H new ATOM 0 HB2 PHE A 88 18.812 34.699 2.045 1.00 63.33 H new ATOM 0 HB3 PHE A 88 18.464 36.133 2.992 1.00 63.33 H new ATOM 0 HD1 PHE A 88 17.006 33.188 1.349 1.00 22.12 H new ATOM 0 HD2 PHE A 88 16.197 36.633 3.721 1.00 74.10 H new ATOM 0 HE1 PHE A 88 14.792 32.282 1.905 1.00 61.53 H new ATOM 0 HE2 PHE A 88 13.982 35.728 4.279 1.00 13.42 H new ATOM 0 HZ PHE A 88 13.272 33.554 3.368 1.00 64.11 H new ATOM 1240 N LYS A 89 19.057 38.553 1.380 1.00 63.43 N ATOM 1241 CA LYS A 89 20.099 39.569 1.461 1.00 44.15 C ATOM 1242 C LYS A 89 20.251 40.080 2.890 1.00 45.03 C ATOM 1243 O LYS A 89 19.378 40.777 3.407 1.00 62.13 O ATOM 1244 CB LYS A 89 19.778 40.735 0.522 1.00 35.45 C ATOM 1245 CG LYS A 89 20.551 40.695 -0.784 1.00 50.31 C ATOM 1246 CD LYS A 89 22.050 40.772 -0.547 1.00 51.43 C ATOM 1247 CE LYS A 89 22.421 41.991 0.284 1.00 31.11 C ATOM 1248 NZ LYS A 89 21.918 43.253 -0.326 1.00 72.30 N ATOM 0 H LYS A 89 18.142 38.860 1.710 1.00 63.43 H new ATOM 0 HA LYS A 89 21.041 39.113 1.155 1.00 44.15 H new ATOM 0 HB2 LYS A 89 18.710 40.730 0.303 1.00 35.45 H new ATOM 0 HB3 LYS A 89 19.994 41.673 1.034 1.00 35.45 H new ATOM 0 HG2 LYS A 89 20.313 39.777 -1.321 1.00 50.31 H new ATOM 0 HG3 LYS A 89 20.239 41.525 -1.418 1.00 50.31 H new ATOM 0 HD2 LYS A 89 22.386 39.868 -0.039 1.00 51.43 H new ATOM 0 HD3 LYS A 89 22.569 40.811 -1.505 1.00 51.43 H new ATOM 0 HE2 LYS A 89 22.011 41.884 1.288 1.00 31.11 H new ATOM 0 HE3 LYS A 89 23.505 42.044 0.387 1.00 31.11 H new ATOM 0 HZ1 LYS A 89 22.344 44.068 0.161 1.00 72.30 H new ATOM 0 HZ2 LYS A 89 22.175 43.278 -1.333 1.00 72.30 H new ATOM 0 HZ3 LYS A 89 20.883 43.296 -0.232 1.00 72.30 H new ATOM 1262 N VAL A 90 21.367 39.730 3.523 1.00 54.20 N ATOM 1263 CA VAL A 90 21.634 40.156 4.892 1.00 62.24 C ATOM 1264 C VAL A 90 22.594 41.339 4.921 1.00 5.43 C ATOM 1265 O VAL A 90 23.686 41.283 4.354 1.00 22.33 O ATOM 1266 CB VAL A 90 22.226 39.008 5.731 1.00 73.31 C ATOM 1267 CG1 VAL A 90 22.125 39.324 7.215 1.00 0.22 C ATOM 1268 CG2 VAL A 90 21.525 37.697 5.408 1.00 30.42 C ATOM 0 H VAL A 90 22.100 39.153 3.110 1.00 54.20 H new ATOM 0 HA VAL A 90 20.679 40.456 5.323 1.00 62.24 H new ATOM 0 HB VAL A 90 23.281 38.902 5.478 1.00 73.31 H new ATOM 0 HG11 VAL A 90 22.548 38.502 7.792 1.00 0.22 H new ATOM 0 HG12 VAL A 90 22.676 40.240 7.430 1.00 0.22 H new ATOM 0 HG13 VAL A 90 21.078 39.458 7.488 1.00 0.22 H new ATOM 0 HG21 VAL A 90 21.956 36.896 6.009 1.00 30.42 H new ATOM 0 HG22 VAL A 90 20.462 37.788 5.632 1.00 30.42 H new ATOM 0 HG23 VAL A 90 21.654 37.466 4.351 1.00 30.42 H new ATOM 1278 N THR A 91 22.181 42.413 5.587 1.00 2.34 N ATOM 1279 CA THR A 91 23.004 43.612 5.691 1.00 31.22 C ATOM 1280 C THR A 91 23.475 43.833 7.124 1.00 62.21 C ATOM 1281 O THR A 91 23.064 43.119 8.038 1.00 2.35 O ATOM 1282 CB THR A 91 22.239 44.861 5.216 1.00 53.30 C ATOM 1283 OG1 THR A 91 21.131 44.475 4.395 1.00 31.32 O ATOM 1284 CG2 THR A 91 23.154 45.792 4.435 1.00 2.23 C ATOM 0 H THR A 91 21.281 42.477 6.063 1.00 2.34 H new ATOM 0 HA THR A 91 23.870 43.458 5.047 1.00 31.22 H new ATOM 0 HB THR A 91 21.872 45.391 6.095 1.00 53.30 H new ATOM 0 HG1 THR A 91 20.649 45.275 4.099 1.00 31.32 H new ATOM 0 HG21 THR A 91 22.591 46.667 4.110 1.00 2.23 H new ATOM 0 HG22 THR A 91 23.981 46.108 5.071 1.00 2.23 H new ATOM 0 HG23 THR A 91 23.547 45.269 3.563 1.00 2.23 H new ATOM 1292 N GLN A 92 24.339 44.826 7.311 1.00 31.53 N ATOM 1293 CA GLN A 92 24.866 45.140 8.634 1.00 34.42 C ATOM 1294 C GLN A 92 23.894 46.021 9.412 1.00 51.22 C ATOM 1295 O GLN A 92 24.303 46.825 10.251 1.00 62.24 O ATOM 1296 CB GLN A 92 26.221 45.837 8.514 1.00 5.30 C ATOM 1297 CG GLN A 92 26.192 47.078 7.636 1.00 14.02 C ATOM 1298 CD GLN A 92 26.915 48.254 8.262 1.00 24.34 C ATOM 1299 OE1 GLN A 92 28.126 48.410 8.100 1.00 51.42 O ATOM 1300 NE2 GLN A 92 26.176 49.088 8.984 1.00 42.34 N ATOM 0 H GLN A 92 24.688 45.426 6.564 1.00 31.53 H new ATOM 0 HA GLN A 92 24.994 44.204 9.178 1.00 34.42 H new ATOM 0 HB2 GLN A 92 26.567 46.115 9.510 1.00 5.30 H new ATOM 0 HB3 GLN A 92 26.948 45.133 8.109 1.00 5.30 H new ATOM 0 HG2 GLN A 92 26.647 46.847 6.673 1.00 14.02 H new ATOM 0 HG3 GLN A 92 25.156 47.356 7.440 1.00 14.02 H new ATOM 0 HE21 GLN A 92 25.176 48.920 9.092 1.00 42.34 H new ATOM 0 HE22 GLN A 92 26.609 49.896 9.431 1.00 42.34 H new