USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=27 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 72 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.7!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 THR OG1 : rot -159:sc= -0.499 USER MOD Set 2.2: A 67 THR OG1 : rot -83:sc= -0.875 USER MOD Set 2.3: A 69 ASN : amide:sc= -3.42 K(o=-4.8,f=-6.7) USER MOD Set 3.1: A 22 GLN : amide:sc= -0.0864 X(o=-0.086,f=0.28) USER MOD Set 3.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.478 USER MOD Single : A 9 SER OG : rot 180:sc= -0.151 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= -0.402 K(o=-0.4,f=-3.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -0.0861 (180deg=-0.538) USER MOD Single : A 24 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.57) 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 -29:sc= 0.161 USER MOD Single : A 34 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.42) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.61! C(o=-4.6!,f=-9.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -158:sc= 0.152 USER MOD Single : A 42 GLN : amide:sc= -0.753 K(o=-0.75,f=-0.17) USER MOD Single : A 44 THR OG1 : rot 45:sc= 0.0628 USER MOD Single : A 47 SER OG : rot 180:sc= -1.15 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.27) 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= -4.31! C(o=-4.3!,f=-12!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.186 USER MOD Single : A 62 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.0024) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 78 SER OG : rot 180:sc= -0.834 USER MOD Single : A 83 GLN : amide:sc= -0.0755 X(o=-0.075,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= -1.2 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.00027) USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.796 7.554 -3.827 1.00 72.52 N ATOM 43 CA ALA A 4 5.055 8.120 -4.294 1.00 10.30 C ATOM 44 C ALA A 4 4.964 9.638 -4.410 1.00 4.14 C ATOM 45 O ALA A 4 3.913 10.184 -4.747 1.00 70.23 O ATOM 46 CB ALA A 4 5.445 7.510 -5.632 1.00 31.51 C ATOM 0 HA ALA A 4 5.826 7.882 -3.561 1.00 10.30 H new ATOM 0 HB1 ALA A 4 6.387 7.942 -5.968 1.00 31.51 H new ATOM 0 HB2 ALA A 4 5.560 6.432 -5.521 1.00 31.51 H new ATOM 0 HB3 ALA A 4 4.668 7.718 -6.367 1.00 31.51 H new ATOM 52 N LEU A 5 6.072 10.315 -4.127 1.00 13.33 N ATOM 53 CA LEU A 5 6.117 11.772 -4.198 1.00 62.33 C ATOM 54 C LEU A 5 5.591 12.268 -5.541 1.00 71.54 C ATOM 55 O LEU A 5 5.597 11.536 -6.531 1.00 64.42 O ATOM 56 CB LEU A 5 7.548 12.268 -3.984 1.00 1.03 C ATOM 57 CG LEU A 5 8.246 11.777 -2.715 1.00 32.41 C ATOM 58 CD1 LEU A 5 9.749 11.693 -2.931 1.00 31.44 C ATOM 59 CD2 LEU A 5 7.924 12.690 -1.541 1.00 52.13 C ATOM 0 H LEU A 5 6.950 9.879 -3.847 1.00 13.33 H new ATOM 0 HA LEU A 5 5.479 12.170 -3.409 1.00 62.33 H new ATOM 0 HB2 LEU A 5 8.147 11.968 -4.844 1.00 1.03 H new ATOM 0 HB3 LEU A 5 7.535 13.358 -3.969 1.00 1.03 H new ATOM 0 HG LEU A 5 7.876 10.778 -2.484 1.00 32.41 H new ATOM 0 HD11 LEU A 5 10.229 11.342 -2.017 1.00 31.44 H new ATOM 0 HD12 LEU A 5 9.962 10.998 -3.743 1.00 31.44 H new ATOM 0 HD13 LEU A 5 10.135 12.679 -3.188 1.00 31.44 H new ATOM 0 HD21 LEU A 5 8.429 12.325 -0.647 1.00 52.13 H new ATOM 0 HD22 LEU A 5 8.264 13.702 -1.763 1.00 52.13 H new ATOM 0 HD23 LEU A 5 6.847 12.698 -1.371 1.00 52.13 H new ATOM 71 N VAL A 6 5.137 13.517 -5.569 1.00 22.33 N ATOM 72 CA VAL A 6 4.610 14.112 -6.791 1.00 4.21 C ATOM 73 C VAL A 6 4.834 15.620 -6.808 1.00 51.11 C ATOM 74 O VAL A 6 5.690 16.123 -7.536 1.00 73.10 O ATOM 75 CB VAL A 6 3.106 13.825 -6.952 1.00 13.34 C ATOM 76 CG1 VAL A 6 2.560 14.515 -8.193 1.00 21.31 C ATOM 77 CG2 VAL A 6 2.853 12.326 -7.009 1.00 54.45 C ATOM 0 H VAL A 6 5.124 14.137 -4.759 1.00 22.33 H new ATOM 0 HA VAL A 6 5.149 13.658 -7.622 1.00 4.21 H new ATOM 0 HB VAL A 6 2.582 14.225 -6.084 1.00 13.34 H new ATOM 0 HG11 VAL A 6 1.496 14.301 -8.290 1.00 21.31 H new ATOM 0 HG12 VAL A 6 2.707 15.591 -8.105 1.00 21.31 H new ATOM 0 HG13 VAL A 6 3.086 14.148 -9.074 1.00 21.31 H new ATOM 0 HG21 VAL A 6 1.785 12.141 -7.123 1.00 54.45 H new ATOM 0 HG22 VAL A 6 3.388 11.899 -7.857 1.00 54.45 H new ATOM 0 HG23 VAL A 6 3.205 11.862 -6.088 1.00 54.45 H new ATOM 87 N SER A 7 4.059 16.337 -6.001 1.00 35.02 N ATOM 88 CA SER A 7 4.169 17.789 -5.925 1.00 42.03 C ATOM 89 C SER A 7 4.446 18.239 -4.494 1.00 44.01 C ATOM 90 O SER A 7 4.323 17.457 -3.551 1.00 64.42 O ATOM 91 CB SER A 7 2.887 18.447 -6.440 1.00 22.25 C ATOM 92 OG SER A 7 2.483 17.880 -7.674 1.00 42.51 O ATOM 0 H SER A 7 3.348 15.936 -5.390 1.00 35.02 H new ATOM 0 HA SER A 7 5.005 18.098 -6.553 1.00 42.03 H new ATOM 0 HB2 SER A 7 2.092 18.328 -5.704 1.00 22.25 H new ATOM 0 HB3 SER A 7 3.049 19.518 -6.564 1.00 22.25 H new ATOM 0 HG SER A 7 1.661 18.316 -7.981 1.00 42.51 H new ATOM 98 N ILE A 8 4.821 19.505 -4.341 1.00 21.53 N ATOM 99 CA ILE A 8 5.115 20.060 -3.025 1.00 71.43 C ATOM 100 C ILE A 8 4.721 21.531 -2.949 1.00 61.20 C ATOM 101 O ILE A 8 4.689 22.229 -3.962 1.00 71.35 O ATOM 102 CB ILE A 8 6.609 19.921 -2.676 1.00 75.25 C ATOM 103 CG1 ILE A 8 7.439 20.920 -3.485 1.00 75.45 C ATOM 104 CG2 ILE A 8 7.083 18.498 -2.934 1.00 53.42 C ATOM 105 CD1 ILE A 8 7.706 22.216 -2.753 1.00 61.12 C ATOM 0 H ILE A 8 4.928 20.165 -5.111 1.00 21.53 H new ATOM 0 HA ILE A 8 4.528 19.491 -2.304 1.00 71.43 H new ATOM 0 HB ILE A 8 6.742 20.141 -1.617 1.00 75.25 H new ATOM 0 HG12 ILE A 8 8.391 20.459 -3.750 1.00 75.45 H new ATOM 0 HG13 ILE A 8 6.920 21.139 -4.418 1.00 75.45 H new ATOM 0 HG21 ILE A 8 8.140 18.416 -2.683 1.00 53.42 H new ATOM 0 HG22 ILE A 8 6.509 17.806 -2.318 1.00 53.42 H new ATOM 0 HG23 ILE A 8 6.940 18.252 -3.986 1.00 53.42 H new ATOM 0 HD11 ILE A 8 8.299 22.876 -3.386 1.00 61.12 H new ATOM 0 HD12 ILE A 8 6.759 22.699 -2.512 1.00 61.12 H new ATOM 0 HD13 ILE A 8 8.252 22.008 -1.833 1.00 61.12 H new ATOM 117 N SER A 9 4.424 21.996 -1.740 1.00 12.30 N ATOM 118 CA SER A 9 4.030 23.385 -1.531 1.00 22.31 C ATOM 119 C SER A 9 5.024 24.100 -0.621 1.00 31.14 C ATOM 120 O SER A 9 5.078 23.843 0.582 1.00 21.21 O ATOM 121 CB SER A 9 2.626 23.453 -0.926 1.00 45.44 C ATOM 122 OG SER A 9 2.008 22.178 -0.926 1.00 4.31 O ATOM 0 H SER A 9 4.449 21.432 -0.890 1.00 12.30 H new ATOM 0 HA SER A 9 4.025 23.886 -2.499 1.00 22.31 H new ATOM 0 HB2 SER A 9 2.684 23.832 0.094 1.00 45.44 H new ATOM 0 HB3 SER A 9 2.016 24.156 -1.493 1.00 45.44 H new ATOM 0 HG SER A 9 1.113 22.248 -0.533 1.00 4.31 H new ATOM 128 N VAL A 10 5.809 25.000 -1.204 1.00 24.21 N ATOM 129 CA VAL A 10 6.801 25.754 -0.447 1.00 2.03 C ATOM 130 C VAL A 10 6.544 27.253 -0.545 1.00 13.52 C ATOM 131 O VAL A 10 6.258 27.775 -1.622 1.00 51.44 O ATOM 132 CB VAL A 10 8.230 25.456 -0.940 1.00 55.23 C ATOM 133 CG1 VAL A 10 8.706 24.111 -0.415 1.00 63.53 C ATOM 134 CG2 VAL A 10 8.287 25.496 -2.460 1.00 33.41 C ATOM 0 H VAL A 10 5.777 25.225 -2.198 1.00 24.21 H new ATOM 0 HA VAL A 10 6.711 25.440 0.593 1.00 2.03 H new ATOM 0 HB VAL A 10 8.898 26.226 -0.554 1.00 55.23 H new ATOM 0 HG11 VAL A 10 9.717 23.918 -0.773 1.00 63.53 H new ATOM 0 HG12 VAL A 10 8.704 24.124 0.675 1.00 63.53 H new ATOM 0 HG13 VAL A 10 8.039 23.325 -0.770 1.00 63.53 H new ATOM 0 HG21 VAL A 10 9.303 25.283 -2.792 1.00 33.41 H new ATOM 0 HG22 VAL A 10 7.608 24.748 -2.869 1.00 33.41 H new ATOM 0 HG23 VAL A 10 7.991 26.485 -2.809 1.00 33.41 H new ATOM 144 N SER A 11 6.647 27.941 0.588 1.00 44.53 N ATOM 145 CA SER A 11 6.423 29.382 0.631 1.00 75.45 C ATOM 146 C SER A 11 7.703 30.120 1.009 1.00 14.33 C ATOM 147 O SER A 11 7.810 30.719 2.079 1.00 4.45 O ATOM 148 CB SER A 11 5.313 29.716 1.629 1.00 54.31 C ATOM 149 OG SER A 11 4.128 28.997 1.334 1.00 54.41 O ATOM 0 H SER A 11 6.884 27.524 1.488 1.00 44.53 H new ATOM 0 HA SER A 11 6.118 29.708 -0.363 1.00 75.45 H new ATOM 0 HB2 SER A 11 5.645 29.478 2.640 1.00 54.31 H new ATOM 0 HB3 SER A 11 5.108 30.786 1.605 1.00 54.31 H new ATOM 0 HG SER A 11 3.435 29.227 1.987 1.00 54.41 H new ATOM 155 N PRO A 12 8.697 30.077 0.111 1.00 44.43 N ATOM 156 CA PRO A 12 9.988 30.737 0.327 1.00 44.31 C ATOM 157 C PRO A 12 9.878 32.257 0.278 1.00 50.33 C ATOM 158 O PRO A 12 8.968 32.805 -0.347 1.00 24.25 O ATOM 159 CB PRO A 12 10.847 30.226 -0.833 1.00 32.34 C ATOM 160 CG PRO A 12 9.869 29.869 -1.899 1.00 25.12 C ATOM 161 CD PRO A 12 8.638 29.382 -1.186 1.00 23.11 C ATOM 0 HA PRO A 12 10.400 30.513 1.311 1.00 44.31 H new ATOM 0 HB2 PRO A 12 11.545 30.990 -1.176 1.00 32.34 H new ATOM 0 HB3 PRO A 12 11.441 29.362 -0.535 1.00 32.34 H new ATOM 0 HG2 PRO A 12 9.642 30.732 -2.525 1.00 25.12 H new ATOM 0 HG3 PRO A 12 10.271 29.097 -2.555 1.00 25.12 H new ATOM 0 HD2 PRO A 12 7.730 29.632 -1.735 1.00 23.11 H new ATOM 0 HD3 PRO A 12 8.647 28.299 -1.062 1.00 23.11 H new ATOM 169 N THR A 13 10.810 32.936 0.940 1.00 62.32 N ATOM 170 CA THR A 13 10.817 34.393 0.972 1.00 20.30 C ATOM 171 C THR A 13 12.072 34.951 0.312 1.00 43.42 C ATOM 172 O THR A 13 13.180 34.777 0.817 1.00 44.02 O ATOM 173 CB THR A 13 10.731 34.923 2.416 1.00 55.14 C ATOM 174 OG1 THR A 13 9.580 34.378 3.070 1.00 74.52 O ATOM 175 CG2 THR A 13 10.656 36.442 2.430 1.00 11.53 C ATOM 0 H THR A 13 11.570 32.499 1.461 1.00 62.32 H new ATOM 0 HA THR A 13 9.940 34.726 0.417 1.00 20.30 H new ATOM 0 HB THR A 13 11.631 34.614 2.948 1.00 55.14 H new ATOM 0 HG1 THR A 13 9.533 34.718 3.988 1.00 74.52 H new ATOM 0 HG21 THR A 13 10.596 36.794 3.460 1.00 11.53 H new ATOM 0 HG22 THR A 13 11.547 36.855 1.957 1.00 11.53 H new ATOM 0 HG23 THR A 13 9.771 36.768 1.883 1.00 11.53 H new ATOM 183 N ASN A 14 11.891 35.625 -0.820 1.00 34.52 N ATOM 184 CA ASN A 14 13.010 36.209 -1.549 1.00 51.43 C ATOM 185 C ASN A 14 13.121 37.705 -1.267 1.00 62.42 C ATOM 186 O ASN A 14 12.726 38.533 -2.088 1.00 31.33 O ATOM 187 CB ASN A 14 12.845 35.973 -3.052 1.00 43.40 C ATOM 188 CG ASN A 14 11.442 36.284 -3.536 1.00 10.22 C ATOM 189 OD1 ASN A 14 10.720 37.067 -2.919 1.00 12.24 O ATOM 190 ND2 ASN A 14 11.049 35.670 -4.646 1.00 23.24 N ATOM 0 H ASN A 14 10.980 35.780 -1.252 1.00 34.52 H new ATOM 0 HA ASN A 14 13.925 35.724 -1.210 1.00 51.43 H new ATOM 0 HB2 ASN A 14 13.559 36.592 -3.595 1.00 43.40 H new ATOM 0 HB3 ASN A 14 13.084 34.935 -3.282 1.00 43.40 H new ATOM 0 HD21 ASN A 14 10.115 35.840 -5.020 1.00 23.24 H new ATOM 0 HD22 ASN A 14 11.681 35.029 -5.125 1.00 23.24 H new ATOM 197 N SER A 15 13.663 38.043 -0.101 1.00 74.42 N ATOM 198 CA SER A 15 13.823 39.438 0.291 1.00 24.21 C ATOM 199 C SER A 15 15.126 39.640 1.059 1.00 63.52 C ATOM 200 O SER A 15 15.976 38.750 1.108 1.00 25.13 O ATOM 201 CB SER A 15 12.639 39.889 1.148 1.00 74.45 C ATOM 202 OG SER A 15 12.274 41.226 0.851 1.00 62.52 O ATOM 0 H SER A 15 13.998 37.370 0.588 1.00 74.42 H new ATOM 0 HA SER A 15 13.857 40.042 -0.616 1.00 24.21 H new ATOM 0 HB2 SER A 15 11.789 39.230 0.975 1.00 74.45 H new ATOM 0 HB3 SER A 15 12.897 39.805 2.204 1.00 74.45 H new ATOM 0 HG SER A 15 11.514 41.490 1.411 1.00 62.52 H new ATOM 208 N THR A 16 15.277 40.817 1.658 1.00 71.14 N ATOM 209 CA THR A 16 16.476 41.138 2.422 1.00 35.21 C ATOM 210 C THR A 16 16.161 41.269 3.908 1.00 41.31 C ATOM 211 O THR A 16 15.023 41.542 4.290 1.00 2.23 O ATOM 212 CB THR A 16 17.123 42.445 1.928 1.00 5.25 C ATOM 213 OG1 THR A 16 18.072 42.916 2.892 1.00 1.12 O ATOM 214 CG2 THR A 16 16.068 43.513 1.684 1.00 3.41 C ATOM 0 H THR A 16 14.583 41.564 1.629 1.00 71.14 H new ATOM 0 HA THR A 16 17.176 40.316 2.273 1.00 35.21 H new ATOM 0 HB THR A 16 17.633 42.239 0.987 1.00 5.25 H new ATOM 0 HG1 THR A 16 18.918 42.435 2.780 1.00 1.12 H new ATOM 0 HG21 THR A 16 16.549 44.427 1.336 1.00 3.41 H new ATOM 0 HG22 THR A 16 15.364 43.163 0.929 1.00 3.41 H new ATOM 0 HG23 THR A 16 15.534 43.715 2.612 1.00 3.41 H new ATOM 222 N VAL A 17 17.177 41.074 4.743 1.00 41.14 N ATOM 223 CA VAL A 17 17.009 41.173 6.188 1.00 62.24 C ATOM 224 C VAL A 17 18.152 41.957 6.821 1.00 5.34 C ATOM 225 O VAL A 17 19.247 42.037 6.265 1.00 24.44 O ATOM 226 CB VAL A 17 16.933 39.780 6.840 1.00 23.32 C ATOM 227 CG1 VAL A 17 15.856 38.937 6.176 1.00 74.42 C ATOM 228 CG2 VAL A 17 18.285 39.085 6.770 1.00 35.40 C ATOM 0 H VAL A 17 18.125 40.847 4.443 1.00 41.14 H new ATOM 0 HA VAL A 17 16.071 41.700 6.363 1.00 62.24 H new ATOM 0 HB VAL A 17 16.667 39.903 7.890 1.00 23.32 H new ATOM 0 HG11 VAL A 17 15.817 37.956 6.650 1.00 74.42 H new ATOM 0 HG12 VAL A 17 14.890 39.430 6.284 1.00 74.42 H new ATOM 0 HG13 VAL A 17 16.087 38.819 5.117 1.00 74.42 H new ATOM 0 HG21 VAL A 17 18.213 38.102 7.235 1.00 35.40 H new ATOM 0 HG22 VAL A 17 18.583 38.972 5.727 1.00 35.40 H new ATOM 0 HG23 VAL A 17 19.029 39.682 7.297 1.00 35.40 H new ATOM 238 N ALA A 18 17.890 42.535 7.989 1.00 42.40 N ATOM 239 CA ALA A 18 18.898 43.312 8.700 1.00 30.13 C ATOM 240 C ALA A 18 19.875 42.401 9.435 1.00 23.22 C ATOM 241 O ALA A 18 19.665 41.191 9.526 1.00 54.11 O ATOM 242 CB ALA A 18 18.233 44.272 9.676 1.00 61.13 C ATOM 0 H ALA A 18 16.988 42.480 8.463 1.00 42.40 H new ATOM 0 HA ALA A 18 19.461 43.889 7.966 1.00 30.13 H new ATOM 0 HB1 ALA A 18 18.997 44.846 10.200 1.00 61.13 H new ATOM 0 HB2 ALA A 18 17.580 44.952 9.129 1.00 61.13 H new ATOM 0 HB3 ALA A 18 17.645 43.707 10.399 1.00 61.13 H new ATOM 248 N LYS A 19 20.946 42.989 9.958 1.00 31.43 N ATOM 249 CA LYS A 19 21.957 42.231 10.686 1.00 33.32 C ATOM 250 C LYS A 19 21.314 41.358 11.760 1.00 41.13 C ATOM 251 O LYS A 19 20.609 41.855 12.637 1.00 24.33 O ATOM 252 CB LYS A 19 22.973 43.179 11.326 1.00 52.51 C ATOM 253 CG LYS A 19 24.403 42.673 11.260 1.00 42.11 C ATOM 254 CD LYS A 19 24.573 41.378 12.036 1.00 74.31 C ATOM 255 CE LYS A 19 26.016 40.898 12.011 1.00 33.31 C ATOM 256 NZ LYS A 19 26.964 41.971 12.417 1.00 4.24 N ATOM 0 H LYS A 19 21.136 43.989 9.891 1.00 31.43 H new ATOM 0 HA LYS A 19 22.471 41.584 9.975 1.00 33.32 H new ATOM 0 HB2 LYS A 19 22.916 44.148 10.830 1.00 52.51 H new ATOM 0 HB3 LYS A 19 22.701 43.339 12.369 1.00 52.51 H new ATOM 0 HG2 LYS A 19 24.686 42.514 10.219 1.00 42.11 H new ATOM 0 HG3 LYS A 19 25.077 43.430 11.662 1.00 42.11 H new ATOM 0 HD2 LYS A 19 24.256 41.527 13.068 1.00 74.31 H new ATOM 0 HD3 LYS A 19 23.926 40.611 11.611 1.00 74.31 H new ATOM 0 HE2 LYS A 19 26.126 40.044 12.679 1.00 33.31 H new ATOM 0 HE3 LYS A 19 26.266 40.552 11.008 1.00 33.31 H new ATOM 0 HZ1 LYS A 19 27.895 41.554 12.617 1.00 4.24 H new ATOM 0 HZ2 LYS A 19 27.053 42.665 11.647 1.00 4.24 H new ATOM 0 HZ3 LYS A 19 26.607 42.445 13.271 1.00 4.24 H new ATOM 270 N GLY A 20 21.564 40.054 11.684 1.00 55.21 N ATOM 271 CA GLY A 20 21.003 39.134 12.656 1.00 72.00 C ATOM 272 C GLY A 20 19.496 39.014 12.539 1.00 3.22 C ATOM 273 O GLY A 20 18.756 39.812 13.116 1.00 51.35 O ATOM 0 H GLY A 20 22.145 39.619 10.967 1.00 55.21 H new ATOM 0 HA2 GLY A 20 21.454 38.151 12.523 1.00 72.00 H new ATOM 0 HA3 GLY A 20 21.261 39.470 13.660 1.00 72.00 H new ATOM 277 N LEU A 21 19.040 38.016 11.791 1.00 41.25 N ATOM 278 CA LEU A 21 17.611 37.795 11.598 1.00 10.32 C ATOM 279 C LEU A 21 17.314 36.316 11.371 1.00 2.44 C ATOM 280 O LEU A 21 18.172 35.566 10.907 1.00 50.34 O ATOM 281 CB LEU A 21 17.103 38.617 10.412 1.00 21.10 C ATOM 282 CG LEU A 21 15.917 39.541 10.694 1.00 65.52 C ATOM 283 CD1 LEU A 21 14.668 38.728 10.998 1.00 4.11 C ATOM 284 CD2 LEU A 21 16.237 40.482 11.846 1.00 41.23 C ATOM 0 H LEU A 21 19.639 37.347 11.308 1.00 41.25 H new ATOM 0 HA LEU A 21 17.094 38.116 12.502 1.00 10.32 H new ATOM 0 HB2 LEU A 21 17.928 39.222 10.035 1.00 21.10 H new ATOM 0 HB3 LEU A 21 16.821 37.930 9.614 1.00 21.10 H new ATOM 0 HG LEU A 21 15.727 40.140 9.804 1.00 65.52 H new ATOM 0 HD11 LEU A 21 13.834 39.402 11.196 1.00 4.11 H new ATOM 0 HD12 LEU A 21 14.428 38.096 10.143 1.00 4.11 H new ATOM 0 HD13 LEU A 21 14.845 38.103 11.873 1.00 4.11 H new ATOM 0 HD21 LEU A 21 15.382 41.132 12.033 1.00 41.23 H new ATOM 0 HD22 LEU A 21 16.453 39.900 12.742 1.00 41.23 H new ATOM 0 HD23 LEU A 21 17.105 41.089 11.590 1.00 41.23 H new ATOM 296 N GLN A 22 16.094 35.906 11.701 1.00 72.22 N ATOM 297 CA GLN A 22 15.684 34.517 11.531 1.00 21.33 C ATOM 298 C GLN A 22 14.428 34.421 10.672 1.00 71.32 C ATOM 299 O GLN A 22 13.519 35.241 10.792 1.00 52.21 O ATOM 300 CB GLN A 22 15.435 33.866 12.893 1.00 4.43 C ATOM 301 CG GLN A 22 16.006 32.463 13.011 1.00 65.54 C ATOM 302 CD GLN A 22 16.259 32.054 14.448 1.00 25.43 C ATOM 303 OE1 GLN A 22 15.706 31.065 14.931 1.00 10.43 O ATOM 304 NE2 GLN A 22 17.100 32.813 15.141 1.00 12.40 N ATOM 0 H GLN A 22 15.373 36.515 12.087 1.00 72.22 H new ATOM 0 HA GLN A 22 16.490 33.987 11.024 1.00 21.33 H new ATOM 0 HB2 GLN A 22 15.871 34.493 13.671 1.00 4.43 H new ATOM 0 HB3 GLN A 22 14.361 33.829 13.078 1.00 4.43 H new ATOM 0 HG2 GLN A 22 15.316 31.755 12.552 1.00 65.54 H new ATOM 0 HG3 GLN A 22 16.940 32.407 12.452 1.00 65.54 H new ATOM 0 HE21 GLN A 22 17.536 33.624 14.701 1.00 12.40 H new ATOM 0 HE22 GLN A 22 17.310 32.585 16.113 1.00 12.40 H new ATOM 313 N GLU A 23 14.385 33.414 9.805 1.00 63.31 N ATOM 314 CA GLU A 23 13.240 33.212 8.925 1.00 44.33 C ATOM 315 C GLU A 23 12.814 31.747 8.914 1.00 54.22 C ATOM 316 O GLU A 23 13.574 30.872 8.503 1.00 75.44 O ATOM 317 CB GLU A 23 13.576 33.668 7.503 1.00 73.21 C ATOM 318 CG GLU A 23 12.422 34.361 6.798 1.00 0.31 C ATOM 319 CD GLU A 23 12.160 35.753 7.339 1.00 10.51 C ATOM 320 OE1 GLU A 23 13.104 36.365 7.882 1.00 15.43 O ATOM 321 OE2 GLU A 23 11.012 36.231 7.220 1.00 64.33 O ATOM 0 H GLU A 23 15.130 32.726 9.693 1.00 63.31 H new ATOM 0 HA GLU A 23 12.412 33.810 9.305 1.00 44.33 H new ATOM 0 HB2 GLU A 23 14.428 34.346 7.540 1.00 73.21 H new ATOM 0 HB3 GLU A 23 13.883 32.802 6.916 1.00 73.21 H new ATOM 0 HG2 GLU A 23 12.638 34.424 5.731 1.00 0.31 H new ATOM 0 HG3 GLU A 23 11.521 33.758 6.905 1.00 0.31 H new ATOM 328 N ASN A 24 11.592 31.490 9.370 1.00 70.54 N ATOM 329 CA ASN A 24 11.063 30.131 9.414 1.00 65.03 C ATOM 330 C ASN A 24 10.575 29.692 8.036 1.00 1.25 C ATOM 331 O ASN A 24 9.968 30.473 7.303 1.00 4.22 O ATOM 332 CB ASN A 24 9.920 30.039 10.426 1.00 72.01 C ATOM 333 CG ASN A 24 10.218 30.797 11.705 1.00 14.01 C ATOM 334 OD1 ASN A 24 9.993 32.004 11.791 1.00 13.31 O ATOM 335 ND2 ASN A 24 10.727 30.089 12.707 1.00 14.51 N ATOM 0 H ASN A 24 10.950 32.204 9.714 1.00 70.54 H new ATOM 0 HA ASN A 24 11.868 29.464 9.724 1.00 65.03 H new ATOM 0 HB2 ASN A 24 9.008 30.433 9.977 1.00 72.01 H new ATOM 0 HB3 ASN A 24 9.732 28.992 10.663 1.00 72.01 H new ATOM 0 HD21 ASN A 24 10.948 30.544 13.593 1.00 14.51 H new ATOM 0 HD22 ASN A 24 10.897 29.090 12.591 1.00 14.51 H new ATOM 342 N PHE A 25 10.844 28.437 7.692 1.00 55.23 N ATOM 343 CA PHE A 25 10.432 27.894 6.403 1.00 60.24 C ATOM 344 C PHE A 25 9.619 26.616 6.586 1.00 61.44 C ATOM 345 O PHE A 25 9.848 25.849 7.521 1.00 31.23 O ATOM 346 CB PHE A 25 11.657 27.612 5.530 1.00 53.24 C ATOM 347 CG PHE A 25 11.312 27.103 4.159 1.00 33.34 C ATOM 348 CD1 PHE A 25 10.659 27.916 3.247 1.00 3.43 C ATOM 349 CD2 PHE A 25 11.640 25.810 3.783 1.00 4.34 C ATOM 350 CE1 PHE A 25 10.340 27.450 1.986 1.00 20.42 C ATOM 351 CE2 PHE A 25 11.324 25.338 2.523 1.00 1.14 C ATOM 352 CZ PHE A 25 10.674 26.159 1.623 1.00 11.43 C ATOM 0 H PHE A 25 11.345 27.777 8.287 1.00 55.23 H new ATOM 0 HA PHE A 25 9.804 28.635 5.908 1.00 60.24 H new ATOM 0 HB2 PHE A 25 12.242 28.526 5.433 1.00 53.24 H new ATOM 0 HB3 PHE A 25 12.290 26.880 6.032 1.00 53.24 H new ATOM 0 HD1 PHE A 25 10.396 28.926 3.525 1.00 3.43 H new ATOM 0 HD2 PHE A 25 12.149 25.164 4.483 1.00 4.34 H new ATOM 0 HE1 PHE A 25 9.830 28.094 1.285 1.00 20.42 H new ATOM 0 HE2 PHE A 25 11.585 24.328 2.243 1.00 1.14 H new ATOM 0 HZ PHE A 25 10.427 25.793 0.637 1.00 11.43 H new ATOM 362 N LYS A 26 8.668 26.393 5.685 1.00 34.33 N ATOM 363 CA LYS A 26 7.820 25.208 5.745 1.00 54.12 C ATOM 364 C LYS A 26 7.508 24.691 4.344 1.00 62.00 C ATOM 365 O LYS A 26 7.305 25.472 3.415 1.00 62.11 O ATOM 366 CB LYS A 26 6.518 25.524 6.484 1.00 14.33 C ATOM 367 CG LYS A 26 6.540 25.130 7.951 1.00 72.42 C ATOM 368 CD LYS A 26 5.169 24.679 8.428 1.00 63.23 C ATOM 369 CE LYS A 26 5.154 23.194 8.756 1.00 70.31 C ATOM 370 NZ LYS A 26 5.011 22.357 7.533 1.00 60.24 N ATOM 0 H LYS A 26 8.465 27.017 4.904 1.00 34.33 H new ATOM 0 HA LYS A 26 8.360 24.433 6.288 1.00 54.12 H new ATOM 0 HB2 LYS A 26 6.316 26.592 6.406 1.00 14.33 H new ATOM 0 HB3 LYS A 26 5.695 25.007 5.990 1.00 14.33 H new ATOM 0 HG2 LYS A 26 7.261 24.327 8.102 1.00 72.42 H new ATOM 0 HG3 LYS A 26 6.875 25.976 8.551 1.00 72.42 H new ATOM 0 HD2 LYS A 26 4.884 25.251 9.311 1.00 63.23 H new ATOM 0 HD3 LYS A 26 4.427 24.890 7.658 1.00 63.23 H new ATOM 0 HE2 LYS A 26 6.076 22.927 9.273 1.00 70.31 H new ATOM 0 HE3 LYS A 26 4.332 22.981 9.440 1.00 70.31 H new ATOM 0 HZ1 LYS A 26 5.005 21.352 7.799 1.00 60.24 H new ATOM 0 HZ2 LYS A 26 4.119 22.593 7.053 1.00 60.24 H new ATOM 0 HZ3 LYS A 26 5.809 22.541 6.891 1.00 60.24 H new ATOM 384 N ALA A 27 7.471 23.370 4.200 1.00 10.34 N ATOM 385 CA ALA A 27 7.181 22.750 2.914 1.00 73.41 C ATOM 386 C ALA A 27 6.249 21.554 3.079 1.00 24.51 C ATOM 387 O ALA A 27 6.441 20.721 3.966 1.00 3.23 O ATOM 388 CB ALA A 27 8.472 22.325 2.229 1.00 14.33 C ATOM 0 H ALA A 27 7.638 22.709 4.959 1.00 10.34 H new ATOM 0 HA ALA A 27 6.677 23.487 2.289 1.00 73.41 H new ATOM 0 HB1 ALA A 27 8.240 21.863 1.269 1.00 14.33 H new ATOM 0 HB2 ALA A 27 9.103 23.199 2.068 1.00 14.33 H new ATOM 0 HB3 ALA A 27 8.999 21.608 2.859 1.00 14.33 H new ATOM 394 N THR A 28 5.238 21.473 2.219 1.00 4.14 N ATOM 395 CA THR A 28 4.276 20.380 2.271 1.00 20.13 C ATOM 396 C THR A 28 4.472 19.419 1.104 1.00 13.30 C ATOM 397 O THR A 28 4.471 19.828 -0.056 1.00 55.32 O ATOM 398 CB THR A 28 2.828 20.905 2.252 1.00 20.13 C ATOM 399 OG1 THR A 28 2.714 22.058 3.093 1.00 40.40 O ATOM 400 CG2 THR A 28 1.857 19.832 2.721 1.00 61.41 C ATOM 0 H THR A 28 5.065 22.152 1.478 1.00 4.14 H new ATOM 0 HA THR A 28 4.450 19.850 3.207 1.00 20.13 H new ATOM 0 HB THR A 28 2.577 21.177 1.227 1.00 20.13 H new ATOM 0 HG1 THR A 28 1.791 22.387 3.074 1.00 40.40 H new ATOM 0 HG21 THR A 28 0.841 20.226 2.699 1.00 61.41 H new ATOM 0 HG22 THR A 28 1.925 18.967 2.062 1.00 61.41 H new ATOM 0 HG23 THR A 28 2.108 19.533 3.739 1.00 61.41 H new ATOM 408 N GLY A 29 4.639 18.138 1.419 1.00 10.32 N ATOM 409 CA GLY A 29 4.833 17.139 0.385 1.00 51.13 C ATOM 410 C GLY A 29 3.536 16.469 -0.024 1.00 42.15 C ATOM 411 O GLY A 29 2.668 16.219 0.812 1.00 22.14 O ATOM 0 H GLY A 29 4.643 17.775 2.372 1.00 10.32 H new ATOM 0 HA2 GLY A 29 5.287 17.608 -0.488 1.00 51.13 H new ATOM 0 HA3 GLY A 29 5.533 16.383 0.741 1.00 51.13 H new ATOM 415 N ILE A 30 3.403 16.180 -1.314 1.00 62.54 N ATOM 416 CA ILE A 30 2.203 15.535 -1.832 1.00 54.23 C ATOM 417 C ILE A 30 2.533 14.194 -2.478 1.00 25.00 C ATOM 418 O ILE A 30 3.578 14.038 -3.111 1.00 0.32 O ATOM 419 CB ILE A 30 1.486 16.426 -2.864 1.00 42.22 C ATOM 420 CG1 ILE A 30 1.019 17.728 -2.209 1.00 75.45 C ATOM 421 CG2 ILE A 30 0.309 15.683 -3.479 1.00 3.41 C ATOM 422 CD1 ILE A 30 2.040 18.841 -2.281 1.00 51.12 C ATOM 0 H ILE A 30 4.111 16.382 -2.019 1.00 62.54 H new ATOM 0 HA ILE A 30 1.541 15.372 -0.981 1.00 54.23 H new ATOM 0 HB ILE A 30 2.189 16.674 -3.659 1.00 42.22 H new ATOM 0 HG12 ILE A 30 0.099 18.058 -2.691 1.00 75.45 H new ATOM 0 HG13 ILE A 30 0.779 17.533 -1.164 1.00 75.45 H new ATOM 0 HG21 ILE A 30 -0.187 16.326 -4.206 1.00 3.41 H new ATOM 0 HG22 ILE A 30 0.667 14.782 -3.976 1.00 3.41 H new ATOM 0 HG23 ILE A 30 -0.397 15.408 -2.696 1.00 3.41 H new ATOM 0 HD11 ILE A 30 1.641 19.733 -1.797 1.00 51.12 H new ATOM 0 HD12 ILE A 30 2.953 18.530 -1.773 1.00 51.12 H new ATOM 0 HD13 ILE A 30 2.263 19.063 -3.325 1.00 51.12 H new ATOM 434 N PHE A 31 1.636 13.228 -2.315 1.00 72.32 N ATOM 435 CA PHE A 31 1.831 11.899 -2.883 1.00 65.10 C ATOM 436 C PHE A 31 0.869 11.655 -4.042 1.00 2.51 C ATOM 437 O PHE A 31 -0.167 12.312 -4.153 1.00 31.33 O ATOM 438 CB PHE A 31 1.635 10.828 -1.808 1.00 75.22 C ATOM 439 CG PHE A 31 2.800 10.700 -0.869 1.00 34.20 C ATOM 440 CD1 PHE A 31 3.852 9.847 -1.162 1.00 11.34 C ATOM 441 CD2 PHE A 31 2.842 11.431 0.307 1.00 41.51 C ATOM 442 CE1 PHE A 31 4.926 9.727 -0.300 1.00 12.44 C ATOM 443 CE2 PHE A 31 3.913 11.316 1.172 1.00 4.04 C ATOM 444 CZ PHE A 31 4.956 10.462 0.869 1.00 11.14 C ATOM 0 H PHE A 31 0.766 13.340 -1.794 1.00 72.32 H new ATOM 0 HA PHE A 31 2.851 11.840 -3.263 1.00 65.10 H new ATOM 0 HB2 PHE A 31 0.739 11.062 -1.233 1.00 75.22 H new ATOM 0 HB3 PHE A 31 1.461 9.867 -2.292 1.00 75.22 H new ATOM 0 HD1 PHE A 31 3.833 9.269 -2.074 1.00 11.34 H new ATOM 0 HD2 PHE A 31 2.028 12.098 0.550 1.00 41.51 H new ATOM 0 HE1 PHE A 31 5.740 9.060 -0.540 1.00 12.44 H new ATOM 0 HE2 PHE A 31 3.935 11.893 2.085 1.00 4.04 H new ATOM 0 HZ PHE A 31 5.793 10.369 1.545 1.00 11.14 H new ATOM 454 N THR A 32 1.220 10.707 -4.905 1.00 54.12 N ATOM 455 CA THR A 32 0.390 10.377 -6.057 1.00 15.22 C ATOM 456 C THR A 32 -0.917 9.721 -5.623 1.00 45.44 C ATOM 457 O THR A 32 -1.841 9.570 -6.422 1.00 71.01 O ATOM 458 CB THR A 32 1.126 9.436 -7.029 1.00 34.23 C ATOM 459 OG1 THR A 32 0.382 9.310 -8.246 1.00 63.31 O ATOM 460 CG2 THR A 32 1.324 8.062 -6.405 1.00 45.44 C ATOM 0 H THR A 32 2.074 10.154 -4.828 1.00 54.12 H new ATOM 0 HA THR A 32 0.171 11.315 -6.568 1.00 15.22 H new ATOM 0 HB THR A 32 2.105 9.865 -7.245 1.00 34.23 H new ATOM 0 HG1 THR A 32 -0.572 9.432 -8.060 1.00 63.31 H new ATOM 0 HG21 THR A 32 1.846 7.414 -7.109 1.00 45.44 H new ATOM 0 HG22 THR A 32 1.915 8.158 -5.494 1.00 45.44 H new ATOM 0 HG23 THR A 32 0.353 7.629 -6.164 1.00 45.44 H new ATOM 468 N ASP A 33 -0.986 9.335 -4.354 1.00 72.24 N ATOM 469 CA ASP A 33 -2.181 8.696 -3.814 1.00 41.41 C ATOM 470 C ASP A 33 -3.177 9.740 -3.317 1.00 61.43 C ATOM 471 O ASP A 33 -4.077 9.431 -2.538 1.00 20.33 O ATOM 472 CB ASP A 33 -1.807 7.747 -2.675 1.00 2.13 C ATOM 473 CG ASP A 33 -2.773 6.586 -2.548 1.00 61.41 C ATOM 474 OD1 ASP A 33 -3.959 6.831 -2.242 1.00 61.52 O ATOM 475 OD2 ASP A 33 -2.343 5.432 -2.756 1.00 33.23 O ATOM 0 H ASP A 33 -0.229 9.453 -3.680 1.00 72.24 H new ATOM 0 HA ASP A 33 -2.651 8.123 -4.614 1.00 41.41 H new ATOM 0 HB2 ASP A 33 -0.801 7.362 -2.842 1.00 2.13 H new ATOM 0 HB3 ASP A 33 -1.784 8.301 -1.737 1.00 2.13 H new ATOM 480 N ASN A 34 -3.008 10.976 -3.774 1.00 2.43 N ATOM 481 CA ASN A 34 -3.891 12.066 -3.374 1.00 71.12 C ATOM 482 C ASN A 34 -3.778 12.337 -1.877 1.00 71.31 C ATOM 483 O ASN A 34 -4.623 13.015 -1.293 1.00 11.10 O ATOM 484 CB ASN A 34 -5.340 11.734 -3.736 1.00 13.11 C ATOM 485 CG ASN A 34 -5.448 10.939 -5.023 1.00 5.11 C ATOM 486 OD1 ASN A 34 -4.975 11.372 -6.074 1.00 55.22 O ATOM 487 ND2 ASN A 34 -6.071 9.769 -4.945 1.00 40.23 N ATOM 0 H ASN A 34 -2.268 11.248 -4.421 1.00 2.43 H new ATOM 0 HA ASN A 34 -3.585 12.964 -3.911 1.00 71.12 H new ATOM 0 HB2 ASN A 34 -5.794 11.167 -2.923 1.00 13.11 H new ATOM 0 HB3 ASN A 34 -5.908 12.659 -3.835 1.00 13.11 H new ATOM 0 HD21 ASN A 34 -6.173 9.189 -5.778 1.00 40.23 H new ATOM 0 HD22 ASN A 34 -6.447 9.450 -4.052 1.00 40.23 H new ATOM 494 N SER A 35 -2.728 11.802 -1.262 1.00 40.11 N ATOM 495 CA SER A 35 -2.505 11.983 0.168 1.00 55.14 C ATOM 496 C SER A 35 -1.347 12.943 0.420 1.00 40.32 C ATOM 497 O SER A 35 -0.186 12.604 0.196 1.00 3.24 O ATOM 498 CB SER A 35 -2.221 10.636 0.836 1.00 53.45 C ATOM 499 OG SER A 35 -3.371 10.145 1.502 1.00 73.22 O ATOM 0 H SER A 35 -2.018 11.240 -1.732 1.00 40.11 H new ATOM 0 HA SER A 35 -3.409 12.411 0.600 1.00 55.14 H new ATOM 0 HB2 SER A 35 -1.896 9.916 0.085 1.00 53.45 H new ATOM 0 HB3 SER A 35 -1.403 10.745 1.548 1.00 53.45 H new ATOM 0 HG SER A 35 -3.164 9.283 1.919 1.00 73.22 H new ATOM 505 N ASN A 36 -1.673 14.144 0.887 1.00 41.11 N ATOM 506 CA ASN A 36 -0.660 15.155 1.170 1.00 74.05 C ATOM 507 C ASN A 36 -0.207 15.079 2.624 1.00 12.23 C ATOM 508 O ASN A 36 -1.014 14.852 3.526 1.00 72.45 O ATOM 509 CB ASN A 36 -1.206 16.552 0.866 1.00 64.14 C ATOM 510 CG ASN A 36 -1.664 16.693 -0.573 1.00 51.11 C ATOM 511 OD1 ASN A 36 -1.644 15.730 -1.340 1.00 43.41 O ATOM 512 ND2 ASN A 36 -2.080 17.898 -0.946 1.00 34.14 N ATOM 0 H ASN A 36 -2.630 14.441 1.077 1.00 41.11 H new ATOM 0 HA ASN A 36 0.201 14.961 0.530 1.00 74.05 H new ATOM 0 HB2 ASN A 36 -2.041 16.766 1.533 1.00 64.14 H new ATOM 0 HB3 ASN A 36 -0.435 17.294 1.073 1.00 64.14 H new ATOM 0 HD21 ASN A 36 -2.400 18.054 -1.902 1.00 34.14 H new ATOM 0 HD22 ASN A 36 -2.079 18.668 -0.277 1.00 34.14 H new ATOM 519 N SER A 37 1.089 15.272 2.845 1.00 2.35 N ATOM 520 CA SER A 37 1.651 15.223 4.190 1.00 31.22 C ATOM 521 C SER A 37 2.623 16.377 4.416 1.00 53.12 C ATOM 522 O SER A 37 3.161 16.945 3.465 1.00 32.21 O ATOM 523 CB SER A 37 2.364 13.889 4.419 1.00 31.32 C ATOM 524 OG SER A 37 1.436 12.821 4.495 1.00 74.31 O ATOM 0 H SER A 37 1.770 15.464 2.110 1.00 2.35 H new ATOM 0 HA SER A 37 0.832 15.317 4.903 1.00 31.22 H new ATOM 0 HB2 SER A 37 3.068 13.706 3.608 1.00 31.32 H new ATOM 0 HB3 SER A 37 2.944 13.937 5.340 1.00 31.32 H new ATOM 0 HG SER A 37 1.917 11.979 4.640 1.00 74.31 H new ATOM 530 N ASP A 38 2.842 16.718 5.681 1.00 42.53 N ATOM 531 CA ASP A 38 3.750 17.804 6.033 1.00 12.22 C ATOM 532 C ASP A 38 5.177 17.289 6.194 1.00 52.25 C ATOM 533 O ASP A 38 5.416 16.301 6.889 1.00 51.34 O ATOM 534 CB ASP A 38 3.291 18.482 7.325 1.00 12.01 C ATOM 535 CG ASP A 38 3.365 17.556 8.523 1.00 63.20 C ATOM 536 OD1 ASP A 38 3.274 16.326 8.328 1.00 61.11 O ATOM 537 OD2 ASP A 38 3.514 18.061 9.656 1.00 70.23 O ATOM 0 H ASP A 38 2.404 16.259 6.479 1.00 42.53 H new ATOM 0 HA ASP A 38 3.735 18.534 5.223 1.00 12.22 H new ATOM 0 HB2 ASP A 38 3.909 19.361 7.510 1.00 12.01 H new ATOM 0 HB3 ASP A 38 2.266 18.833 7.203 1.00 12.01 H new ATOM 542 N ILE A 39 6.120 17.964 5.546 1.00 42.24 N ATOM 543 CA ILE A 39 7.523 17.575 5.617 1.00 71.43 C ATOM 544 C ILE A 39 7.668 16.061 5.733 1.00 71.05 C ATOM 545 O ILE A 39 8.426 15.560 6.564 1.00 72.11 O ATOM 546 CB ILE A 39 8.232 18.240 6.811 1.00 62.20 C ATOM 547 CG1 ILE A 39 7.585 17.801 8.126 1.00 75.32 C ATOM 548 CG2 ILE A 39 8.192 19.754 6.674 1.00 12.53 C ATOM 549 CD1 ILE A 39 6.442 18.690 8.563 1.00 1.44 C ATOM 0 H ILE A 39 5.938 18.783 4.966 1.00 42.24 H new ATOM 0 HA ILE A 39 7.991 17.913 4.693 1.00 71.43 H new ATOM 0 HB ILE A 39 9.275 17.923 6.818 1.00 62.20 H new ATOM 0 HG12 ILE A 39 7.220 16.780 8.019 1.00 75.32 H new ATOM 0 HG13 ILE A 39 8.344 17.788 8.908 1.00 75.32 H new ATOM 0 HG21 ILE A 39 8.697 20.210 7.526 1.00 12.53 H new ATOM 0 HG22 ILE A 39 8.695 20.049 5.753 1.00 12.53 H new ATOM 0 HG23 ILE A 39 7.155 20.089 6.645 1.00 12.53 H new ATOM 0 HD11 ILE A 39 6.031 18.319 9.502 1.00 1.44 H new ATOM 0 HD12 ILE A 39 6.806 19.708 8.703 1.00 1.44 H new ATOM 0 HD13 ILE A 39 5.664 18.684 7.799 1.00 1.44 H new ATOM 561 N THR A 40 6.937 15.336 4.891 1.00 30.24 N ATOM 562 CA THR A 40 6.984 13.879 4.898 1.00 0.23 C ATOM 563 C THR A 40 8.356 13.371 4.470 1.00 50.42 C ATOM 564 O THR A 40 8.869 12.399 5.024 1.00 44.13 O ATOM 565 CB THR A 40 5.913 13.278 3.968 1.00 3.14 C ATOM 566 OG1 THR A 40 6.009 11.849 3.970 1.00 43.42 O ATOM 567 CG2 THR A 40 6.074 13.801 2.549 1.00 62.21 C ATOM 0 H THR A 40 6.306 15.734 4.196 1.00 30.24 H new ATOM 0 HA THR A 40 6.785 13.561 5.922 1.00 0.23 H new ATOM 0 HB THR A 40 4.932 13.576 4.339 1.00 3.14 H new ATOM 0 HG1 THR A 40 5.594 11.492 3.157 1.00 43.42 H new ATOM 0 HG21 THR A 40 5.307 13.363 1.911 1.00 62.21 H new ATOM 0 HG22 THR A 40 5.971 14.886 2.547 1.00 62.21 H new ATOM 0 HG23 THR A 40 7.060 13.529 2.171 1.00 62.21 H new ATOM 575 N ASP A 41 8.945 14.035 3.482 1.00 41.35 N ATOM 576 CA ASP A 41 10.260 13.652 2.980 1.00 74.13 C ATOM 577 C ASP A 41 11.359 14.458 3.665 1.00 70.33 C ATOM 578 O ASP A 41 12.528 14.371 3.291 1.00 4.23 O ATOM 579 CB ASP A 41 10.330 13.854 1.465 1.00 11.33 C ATOM 580 CG ASP A 41 10.711 12.585 0.729 1.00 43.33 C ATOM 581 OD1 ASP A 41 9.811 11.762 0.461 1.00 5.00 O ATOM 582 OD2 ASP A 41 11.910 12.415 0.421 1.00 73.12 O ATOM 0 H ASP A 41 8.533 14.841 3.012 1.00 41.35 H new ATOM 0 HA ASP A 41 10.415 12.597 3.205 1.00 74.13 H new ATOM 0 HB2 ASP A 41 9.363 14.204 1.103 1.00 11.33 H new ATOM 0 HB3 ASP A 41 11.057 14.634 1.239 1.00 11.33 H new ATOM 587 N GLN A 42 10.974 15.241 4.667 1.00 23.02 N ATOM 588 CA GLN A 42 11.928 16.063 5.402 1.00 12.55 C ATOM 589 C GLN A 42 12.572 17.099 4.487 1.00 5.34 C ATOM 590 O GLN A 42 13.723 16.949 4.076 1.00 1.23 O ATOM 591 CB GLN A 42 13.007 15.185 6.038 1.00 12.45 C ATOM 592 CG GLN A 42 12.757 14.883 7.507 1.00 24.22 C ATOM 593 CD GLN A 42 11.308 14.545 7.796 1.00 51.35 C ATOM 594 OE1 GLN A 42 10.864 13.419 7.571 1.00 23.32 O ATOM 595 NE2 GLN A 42 10.561 15.522 8.296 1.00 55.21 N ATOM 0 H GLN A 42 10.009 15.324 4.988 1.00 23.02 H new ATOM 0 HA GLN A 42 11.386 16.587 6.189 1.00 12.55 H new ATOM 0 HB2 GLN A 42 13.070 14.246 5.488 1.00 12.45 H new ATOM 0 HB3 GLN A 42 13.973 15.680 5.936 1.00 12.45 H new ATOM 0 HG2 GLN A 42 13.389 14.050 7.815 1.00 24.22 H new ATOM 0 HG3 GLN A 42 13.051 15.745 8.106 1.00 24.22 H new ATOM 0 HE21 GLN A 42 10.970 16.441 8.467 1.00 55.21 H new ATOM 0 HE22 GLN A 42 9.578 15.354 8.509 1.00 55.21 H new ATOM 604 N VAL A 43 11.823 18.151 4.171 1.00 21.25 N ATOM 605 CA VAL A 43 12.322 19.212 3.305 1.00 13.44 C ATOM 606 C VAL A 43 13.670 19.731 3.792 1.00 0.12 C ATOM 607 O VAL A 43 13.753 20.416 4.812 1.00 4.31 O ATOM 608 CB VAL A 43 11.329 20.388 3.229 1.00 31.45 C ATOM 609 CG1 VAL A 43 10.960 20.866 4.625 1.00 0.14 C ATOM 610 CG2 VAL A 43 11.912 21.524 2.404 1.00 51.51 C ATOM 0 H VAL A 43 10.868 18.291 4.502 1.00 21.25 H new ATOM 0 HA VAL A 43 12.440 18.780 2.311 1.00 13.44 H new ATOM 0 HB VAL A 43 10.420 20.042 2.737 1.00 31.45 H new ATOM 0 HG11 VAL A 43 10.258 21.697 4.551 1.00 0.14 H new ATOM 0 HG12 VAL A 43 10.498 20.049 5.179 1.00 0.14 H new ATOM 0 HG13 VAL A 43 11.859 21.196 5.146 1.00 0.14 H new ATOM 0 HG21 VAL A 43 11.198 22.346 2.361 1.00 51.51 H new ATOM 0 HG22 VAL A 43 12.837 21.871 2.865 1.00 51.51 H new ATOM 0 HG23 VAL A 43 12.120 21.171 1.394 1.00 51.51 H new ATOM 620 N THR A 44 14.726 19.400 3.056 1.00 43.33 N ATOM 621 CA THR A 44 16.072 19.832 3.412 1.00 31.31 C ATOM 622 C THR A 44 16.464 21.093 2.652 1.00 42.42 C ATOM 623 O THR A 44 16.560 21.085 1.425 1.00 42.14 O ATOM 624 CB THR A 44 17.110 18.730 3.126 1.00 75.14 C ATOM 625 OG1 THR A 44 16.750 17.527 3.815 1.00 41.32 O ATOM 626 CG2 THR A 44 18.500 19.171 3.556 1.00 2.03 C ATOM 0 H THR A 44 14.675 18.834 2.209 1.00 43.33 H new ATOM 0 HA THR A 44 16.063 20.044 4.481 1.00 31.31 H new ATOM 0 HB THR A 44 17.122 18.543 2.052 1.00 75.14 H new ATOM 0 HG1 THR A 44 15.791 17.361 3.704 1.00 41.32 H new ATOM 0 HG21 THR A 44 19.216 18.377 3.344 1.00 2.03 H new ATOM 0 HG22 THR A 44 18.783 20.070 3.008 1.00 2.03 H new ATOM 0 HG23 THR A 44 18.500 19.383 4.625 1.00 2.03 H new ATOM 634 N TRP A 45 16.690 22.175 3.388 1.00 43.42 N ATOM 635 CA TRP A 45 17.073 23.446 2.782 1.00 63.44 C ATOM 636 C TRP A 45 18.266 24.058 3.508 1.00 15.03 C ATOM 637 O TRP A 45 18.291 24.117 4.738 1.00 42.23 O ATOM 638 CB TRP A 45 15.894 24.419 2.800 1.00 12.22 C ATOM 639 CG TRP A 45 15.395 24.721 4.181 1.00 53.42 C ATOM 640 CD1 TRP A 45 14.855 23.836 5.069 1.00 23.43 C ATOM 641 CD2 TRP A 45 15.387 25.998 4.829 1.00 23.10 C ATOM 642 NE1 TRP A 45 14.513 24.485 6.231 1.00 31.30 N ATOM 643 CE2 TRP A 45 14.830 25.812 6.109 1.00 30.33 C ATOM 644 CE3 TRP A 45 15.799 27.279 4.454 1.00 50.53 C ATOM 645 CZ2 TRP A 45 14.674 26.860 7.012 1.00 20.25 C ATOM 646 CZ3 TRP A 45 15.643 28.319 5.351 1.00 22.41 C ATOM 647 CH2 TRP A 45 15.086 28.104 6.619 1.00 55.05 C ATOM 0 H TRP A 45 16.615 22.198 4.405 1.00 43.42 H new ATOM 0 HA TRP A 45 17.361 23.255 1.748 1.00 63.44 H new ATOM 0 HB2 TRP A 45 16.193 25.350 2.318 1.00 12.22 H new ATOM 0 HB3 TRP A 45 15.078 24.001 2.210 1.00 12.22 H new ATOM 0 HD1 TRP A 45 14.717 22.781 4.885 1.00 23.43 H new ATOM 0 HE1 TRP A 45 14.091 24.049 7.051 1.00 31.30 H new ATOM 0 HE3 TRP A 45 16.232 27.454 3.480 1.00 50.53 H new ATOM 0 HZ2 TRP A 45 14.243 26.697 7.989 1.00 20.25 H new ATOM 0 HZ3 TRP A 45 15.956 29.314 5.070 1.00 22.41 H new ATOM 0 HH2 TRP A 45 14.980 28.936 7.299 1.00 55.05 H new ATOM 658 N ASP A 46 19.251 24.512 2.741 1.00 15.45 N ATOM 659 CA ASP A 46 20.446 25.122 3.313 1.00 34.12 C ATOM 660 C ASP A 46 20.753 26.454 2.636 1.00 65.31 C ATOM 661 O ASP A 46 20.097 26.835 1.667 1.00 12.21 O ATOM 662 CB ASP A 46 21.641 24.178 3.176 1.00 30.43 C ATOM 663 CG ASP A 46 21.276 22.735 3.468 1.00 11.53 C ATOM 664 OD1 ASP A 46 21.083 22.402 4.656 1.00 61.41 O ATOM 665 OD2 ASP A 46 21.184 21.940 2.509 1.00 11.44 O ATOM 0 H ASP A 46 19.246 24.469 1.722 1.00 15.45 H new ATOM 0 HA ASP A 46 20.259 25.308 4.371 1.00 34.12 H new ATOM 0 HB2 ASP A 46 22.044 24.251 2.166 1.00 30.43 H new ATOM 0 HB3 ASP A 46 22.431 24.495 3.857 1.00 30.43 H new ATOM 670 N SER A 47 21.756 27.157 3.153 1.00 14.21 N ATOM 671 CA SER A 47 22.147 28.449 2.602 1.00 65.15 C ATOM 672 C SER A 47 23.561 28.389 2.030 1.00 11.53 C ATOM 673 O SER A 47 24.400 27.620 2.498 1.00 34.43 O ATOM 674 CB SER A 47 22.065 29.533 3.678 1.00 64.01 C ATOM 675 OG SER A 47 21.413 30.691 3.186 1.00 5.35 O ATOM 0 H SER A 47 22.312 26.853 3.952 1.00 14.21 H new ATOM 0 HA SER A 47 21.457 28.696 1.795 1.00 65.15 H new ATOM 0 HB2 SER A 47 21.527 29.149 4.545 1.00 64.01 H new ATOM 0 HB3 SER A 47 23.069 29.792 4.015 1.00 64.01 H new ATOM 0 HG SER A 47 21.372 31.368 3.893 1.00 5.35 H new ATOM 681 N SER A 48 23.817 29.208 1.015 1.00 0.41 N ATOM 682 CA SER A 48 25.127 29.247 0.376 1.00 3.42 C ATOM 683 C SER A 48 26.218 29.571 1.393 1.00 51.43 C ATOM 684 O SER A 48 27.396 29.302 1.162 1.00 11.13 O ATOM 685 CB SER A 48 25.139 30.284 -0.749 1.00 72.21 C ATOM 686 OG SER A 48 26.328 30.193 -1.514 1.00 23.02 O ATOM 0 H SER A 48 23.135 29.853 0.618 1.00 0.41 H new ATOM 0 HA SER A 48 25.328 28.262 -0.045 1.00 3.42 H new ATOM 0 HB2 SER A 48 24.274 30.134 -1.396 1.00 72.21 H new ATOM 0 HB3 SER A 48 25.051 31.285 -0.326 1.00 72.21 H new ATOM 0 HG SER A 48 26.310 30.865 -2.227 1.00 23.02 H new ATOM 692 N ASN A 49 25.815 30.152 2.518 1.00 22.14 N ATOM 693 CA ASN A 49 26.757 30.514 3.571 1.00 3.01 C ATOM 694 C ASN A 49 27.678 31.641 3.113 1.00 14.53 C ATOM 695 O ASN A 49 28.552 31.441 2.269 1.00 14.20 O ATOM 696 CB ASN A 49 27.589 29.297 3.981 1.00 33.31 C ATOM 697 CG ASN A 49 28.240 29.472 5.339 1.00 11.33 C ATOM 698 OD1 ASN A 49 29.162 30.272 5.499 1.00 13.44 O ATOM 699 ND2 ASN A 49 27.762 28.722 6.326 1.00 41.43 N ATOM 0 H ASN A 49 24.843 30.382 2.724 1.00 22.14 H new ATOM 0 HA ASN A 49 26.185 30.862 4.431 1.00 3.01 H new ATOM 0 HB2 ASN A 49 26.951 28.413 3.998 1.00 33.31 H new ATOM 0 HB3 ASN A 49 28.360 29.119 3.232 1.00 33.31 H new ATOM 0 HD21 ASN A 49 28.161 28.796 7.262 1.00 41.43 H new ATOM 0 HD22 ASN A 49 26.996 28.072 6.148 1.00 41.43 H new ATOM 706 N THR A 50 27.476 32.829 3.677 1.00 73.34 N ATOM 707 CA THR A 50 28.286 33.988 3.327 1.00 51.53 C ATOM 708 C THR A 50 29.433 34.176 4.314 1.00 55.15 C ATOM 709 O THR A 50 30.603 34.065 3.948 1.00 31.23 O ATOM 710 CB THR A 50 27.439 35.275 3.290 1.00 23.22 C ATOM 711 OG1 THR A 50 26.066 34.965 3.551 1.00 71.10 O ATOM 712 CG2 THR A 50 27.561 35.965 1.940 1.00 63.20 C ATOM 0 H THR A 50 26.758 33.012 4.378 1.00 73.34 H new ATOM 0 HA THR A 50 28.693 33.801 2.333 1.00 51.53 H new ATOM 0 HB THR A 50 27.811 35.951 4.060 1.00 23.22 H new ATOM 0 HG1 THR A 50 25.497 35.686 3.209 1.00 71.10 H new ATOM 0 HG21 THR A 50 26.954 36.871 1.938 1.00 63.20 H new ATOM 0 HG22 THR A 50 28.603 36.226 1.758 1.00 63.20 H new ATOM 0 HG23 THR A 50 27.213 35.293 1.155 1.00 63.20 H new ATOM 720 N ASP A 51 29.089 34.460 5.565 1.00 42.51 N ATOM 721 CA ASP A 51 30.091 34.662 6.606 1.00 73.24 C ATOM 722 C ASP A 51 29.906 33.658 7.739 1.00 31.31 C ATOM 723 O ASP A 51 30.845 32.959 8.122 1.00 40.05 O ATOM 724 CB ASP A 51 30.009 36.088 7.152 1.00 23.25 C ATOM 725 CG ASP A 51 31.332 36.567 7.718 1.00 14.33 C ATOM 726 OD1 ASP A 51 32.315 36.639 6.951 1.00 15.20 O ATOM 727 OD2 ASP A 51 31.383 36.871 8.928 1.00 3.32 O ATOM 0 H ASP A 51 28.125 34.556 5.883 1.00 42.51 H new ATOM 0 HA ASP A 51 31.075 34.507 6.165 1.00 73.24 H new ATOM 0 HB2 ASP A 51 29.692 36.761 6.356 1.00 23.25 H new ATOM 0 HB3 ASP A 51 29.246 36.133 7.930 1.00 23.25 H new ATOM 732 N ILE A 52 28.691 33.592 8.272 1.00 13.45 N ATOM 733 CA ILE A 52 28.384 32.674 9.362 1.00 54.10 C ATOM 734 C ILE A 52 26.879 32.576 9.591 1.00 61.04 C ATOM 735 O ILE A 52 26.255 33.509 10.096 1.00 14.54 O ATOM 736 CB ILE A 52 29.064 33.109 10.674 1.00 55.24 C ATOM 737 CG1 ILE A 52 28.591 32.232 11.834 1.00 35.52 C ATOM 738 CG2 ILE A 52 28.774 34.575 10.959 1.00 44.30 C ATOM 739 CD1 ILE A 52 28.817 30.754 11.606 1.00 64.43 C ATOM 0 H ILE A 52 27.903 34.163 7.967 1.00 13.45 H new ATOM 0 HA ILE A 52 28.769 31.697 9.069 1.00 54.10 H new ATOM 0 HB ILE A 52 30.142 32.986 10.566 1.00 55.24 H new ATOM 0 HG12 ILE A 52 29.111 32.535 12.743 1.00 35.52 H new ATOM 0 HG13 ILE A 52 27.528 32.407 12.001 1.00 35.52 H new ATOM 0 HG21 ILE A 52 29.261 34.868 11.889 1.00 44.30 H new ATOM 0 HG22 ILE A 52 29.155 35.187 10.141 1.00 44.30 H new ATOM 0 HG23 ILE A 52 27.698 34.722 11.051 1.00 44.30 H new ATOM 0 HD11 ILE A 52 28.458 30.194 12.469 1.00 64.43 H new ATOM 0 HD12 ILE A 52 28.275 30.436 10.716 1.00 64.43 H new ATOM 0 HD13 ILE A 52 29.882 30.566 11.469 1.00 64.43 H new ATOM 751 N LEU A 53 26.302 31.439 9.217 1.00 45.25 N ATOM 752 CA LEU A 53 24.870 31.217 9.382 1.00 2.14 C ATOM 753 C LEU A 53 24.583 29.763 9.741 1.00 74.32 C ATOM 754 O LEU A 53 25.321 28.859 9.350 1.00 70.25 O ATOM 755 CB LEU A 53 24.124 31.596 8.102 1.00 32.10 C ATOM 756 CG LEU A 53 24.742 31.103 6.794 1.00 63.45 C ATOM 757 CD1 LEU A 53 24.567 29.598 6.654 1.00 3.32 C ATOM 758 CD2 LEU A 53 24.124 31.826 5.606 1.00 64.44 C ATOM 0 H LEU A 53 26.804 30.657 8.797 1.00 45.25 H new ATOM 0 HA LEU A 53 24.521 31.849 10.198 1.00 2.14 H new ATOM 0 HB2 LEU A 53 23.108 31.208 8.169 1.00 32.10 H new ATOM 0 HB3 LEU A 53 24.048 32.682 8.058 1.00 32.10 H new ATOM 0 HG LEU A 53 25.809 31.324 6.813 1.00 63.45 H new ATOM 0 HD11 LEU A 53 25.013 29.265 5.717 1.00 3.32 H new ATOM 0 HD12 LEU A 53 25.057 29.096 7.488 1.00 3.32 H new ATOM 0 HD13 LEU A 53 23.505 29.353 6.657 1.00 3.32 H new ATOM 0 HD21 LEU A 53 24.576 31.462 4.683 1.00 64.44 H new ATOM 0 HD22 LEU A 53 23.051 31.637 5.583 1.00 64.44 H new ATOM 0 HD23 LEU A 53 24.302 32.897 5.699 1.00 64.44 H new ATOM 770 N SER A 54 23.504 29.544 10.486 1.00 54.33 N ATOM 771 CA SER A 54 23.119 28.200 10.898 1.00 31.33 C ATOM 772 C SER A 54 21.631 27.962 10.656 1.00 25.20 C ATOM 773 O SER A 54 20.803 28.838 10.907 1.00 71.52 O ATOM 774 CB SER A 54 23.447 27.983 12.377 1.00 44.42 C ATOM 775 OG SER A 54 23.900 26.661 12.610 1.00 4.25 O ATOM 0 H SER A 54 22.881 30.281 10.817 1.00 54.33 H new ATOM 0 HA SER A 54 23.686 27.487 10.299 1.00 31.33 H new ATOM 0 HB2 SER A 54 24.212 28.693 12.691 1.00 44.42 H new ATOM 0 HB3 SER A 54 22.562 28.179 12.982 1.00 44.42 H new ATOM 0 HG SER A 54 24.105 26.548 13.562 1.00 4.25 H new ATOM 781 N ILE A 55 21.301 26.771 10.167 1.00 42.41 N ATOM 782 CA ILE A 55 19.914 26.417 9.892 1.00 44.25 C ATOM 783 C ILE A 55 19.544 25.092 10.550 1.00 43.25 C ATOM 784 O ILE A 55 20.239 24.090 10.383 1.00 33.44 O ATOM 785 CB ILE A 55 19.649 26.318 8.378 1.00 73.42 C ATOM 786 CG1 ILE A 55 20.092 27.602 7.675 1.00 52.25 C ATOM 787 CG2 ILE A 55 18.175 26.045 8.115 1.00 21.15 C ATOM 788 CD1 ILE A 55 19.703 27.656 6.214 1.00 52.33 C ATOM 0 H ILE A 55 21.975 26.036 9.953 1.00 42.41 H new ATOM 0 HA ILE A 55 19.296 27.212 10.310 1.00 44.25 H new ATOM 0 HB ILE A 55 20.230 25.488 7.976 1.00 73.42 H new ATOM 0 HG12 ILE A 55 19.656 28.458 8.191 1.00 52.25 H new ATOM 0 HG13 ILE A 55 21.175 27.697 7.758 1.00 52.25 H new ATOM 0 HG21 ILE A 55 18.003 25.978 7.041 1.00 21.15 H new ATOM 0 HG22 ILE A 55 17.889 25.105 8.588 1.00 21.15 H new ATOM 0 HG23 ILE A 55 17.575 26.856 8.528 1.00 21.15 H new ATOM 0 HD11 ILE A 55 20.049 28.594 5.780 1.00 52.33 H new ATOM 0 HD12 ILE A 55 20.161 26.820 5.685 1.00 52.33 H new ATOM 0 HD13 ILE A 55 18.619 27.593 6.124 1.00 52.33 H new ATOM 800 N SER A 56 18.444 25.095 11.296 1.00 45.31 N ATOM 801 CA SER A 56 17.982 23.894 11.981 1.00 23.10 C ATOM 802 C SER A 56 16.547 23.560 11.584 1.00 3.44 C ATOM 803 O SER A 56 15.668 24.420 11.615 1.00 33.23 O ATOM 804 CB SER A 56 18.075 24.078 13.497 1.00 53.20 C ATOM 805 OG SER A 56 19.153 24.931 13.842 1.00 33.23 O ATOM 0 H SER A 56 17.856 25.916 11.441 1.00 45.31 H new ATOM 0 HA SER A 56 18.625 23.066 11.683 1.00 23.10 H new ATOM 0 HB2 SER A 56 17.141 24.496 13.874 1.00 53.20 H new ATOM 0 HB3 SER A 56 18.207 23.108 13.977 1.00 53.20 H new ATOM 0 HG SER A 56 19.190 25.034 14.816 1.00 33.23 H new ATOM 811 N ASN A 57 16.320 22.305 11.212 1.00 54.14 N ATOM 812 CA ASN A 57 14.992 21.857 10.808 1.00 71.51 C ATOM 813 C ASN A 57 14.778 20.391 11.174 1.00 1.03 C ATOM 814 O ASN A 57 13.995 19.689 10.536 1.00 54.01 O ATOM 815 CB ASN A 57 14.801 22.050 9.302 1.00 3.53 C ATOM 816 CG ASN A 57 15.592 23.228 8.766 1.00 11.44 C ATOM 817 OD1 ASN A 57 15.174 24.380 8.892 1.00 74.54 O ATOM 818 ND2 ASN A 57 16.741 22.945 8.165 1.00 63.21 N ATOM 0 H ASN A 57 17.037 21.581 11.182 1.00 54.14 H new ATOM 0 HA ASN A 57 14.256 22.459 11.341 1.00 71.51 H new ATOM 0 HB2 ASN A 57 15.107 21.143 8.780 1.00 3.53 H new ATOM 0 HB3 ASN A 57 13.743 22.199 9.089 1.00 3.53 H new ATOM 0 HD21 ASN A 57 17.317 23.697 7.785 1.00 63.21 H new ATOM 0 HD22 ASN A 57 17.049 21.976 8.083 1.00 63.21 H new ATOM 825 N ALA A 58 15.480 19.937 12.207 1.00 21.52 N ATOM 826 CA ALA A 58 15.365 18.556 12.661 1.00 64.04 C ATOM 827 C ALA A 58 15.124 18.490 14.165 1.00 41.42 C ATOM 828 O ALA A 58 15.030 17.407 14.741 1.00 25.14 O ATOM 829 CB ALA A 58 16.616 17.773 12.290 1.00 4.21 C ATOM 0 H ALA A 58 16.134 20.505 12.745 1.00 21.52 H new ATOM 0 HA ALA A 58 14.506 18.106 12.162 1.00 64.04 H new ATOM 0 HB1 ALA A 58 16.517 16.744 12.635 1.00 4.21 H new ATOM 0 HB2 ALA A 58 16.743 17.782 11.208 1.00 4.21 H new ATOM 0 HB3 ALA A 58 17.485 18.231 12.762 1.00 4.21 H new ATOM 835 N SER A 59 15.025 19.657 14.795 1.00 21.50 N ATOM 836 CA SER A 59 14.799 19.731 16.234 1.00 42.13 C ATOM 837 C SER A 59 13.531 18.978 16.624 1.00 23.13 C ATOM 838 O SER A 59 13.376 18.553 17.769 1.00 23.13 O ATOM 839 CB SER A 59 14.697 21.191 16.680 1.00 31.22 C ATOM 840 OG SER A 59 15.725 21.516 17.600 1.00 14.01 O ATOM 0 H SER A 59 15.098 20.563 14.332 1.00 21.50 H new ATOM 0 HA SER A 59 15.646 19.263 16.735 1.00 42.13 H new ATOM 0 HB2 SER A 59 14.762 21.845 15.811 1.00 31.22 H new ATOM 0 HB3 SER A 59 13.724 21.367 17.139 1.00 31.22 H new ATOM 0 HG SER A 59 15.639 22.455 17.868 1.00 14.01 H new ATOM 846 N ASP A 60 12.627 18.817 15.664 1.00 22.24 N ATOM 847 CA ASP A 60 11.372 18.114 15.906 1.00 4.10 C ATOM 848 C ASP A 60 10.517 18.079 14.643 1.00 2.43 C ATOM 849 O ASP A 60 9.797 17.112 14.396 1.00 53.50 O ATOM 850 CB ASP A 60 10.599 18.784 17.043 1.00 53.14 C ATOM 851 CG ASP A 60 10.402 17.863 18.231 1.00 43.22 C ATOM 852 OD1 ASP A 60 10.186 16.653 18.013 1.00 21.23 O ATOM 853 OD2 ASP A 60 10.464 18.353 19.378 1.00 32.01 O ATOM 0 H ASP A 60 12.740 19.164 14.711 1.00 22.24 H new ATOM 0 HA ASP A 60 11.607 17.089 16.192 1.00 4.10 H new ATOM 0 HB2 ASP A 60 11.134 19.678 17.365 1.00 53.14 H new ATOM 0 HB3 ASP A 60 9.626 19.110 16.674 1.00 53.14 H new ATOM 858 N SER A 61 10.601 19.141 13.848 1.00 4.22 N ATOM 859 CA SER A 61 9.832 19.235 12.613 1.00 34.53 C ATOM 860 C SER A 61 10.053 20.584 11.936 1.00 73.52 C ATOM 861 O SER A 61 10.757 20.678 10.930 1.00 55.13 O ATOM 862 CB SER A 61 8.342 19.033 12.899 1.00 23.24 C ATOM 863 OG SER A 61 7.944 19.746 14.058 1.00 63.34 O ATOM 0 H SER A 61 11.194 19.949 14.037 1.00 4.22 H new ATOM 0 HA SER A 61 10.176 18.450 11.939 1.00 34.53 H new ATOM 0 HB2 SER A 61 7.756 19.367 12.043 1.00 23.24 H new ATOM 0 HB3 SER A 61 8.135 17.971 13.032 1.00 23.24 H new ATOM 0 HG SER A 61 6.988 19.602 14.218 1.00 63.34 H new ATOM 869 N HIS A 62 9.446 21.626 12.495 1.00 62.11 N ATOM 870 CA HIS A 62 9.576 22.971 11.946 1.00 4.00 C ATOM 871 C HIS A 62 11.044 23.339 11.753 1.00 44.12 C ATOM 872 O HIS A 62 11.913 22.879 12.493 1.00 73.11 O ATOM 873 CB HIS A 62 8.900 23.988 12.866 1.00 25.23 C ATOM 874 CG HIS A 62 9.470 24.013 14.251 1.00 14.15 C ATOM 875 ND1 HIS A 62 8.877 23.374 15.320 1.00 24.02 N ATOM 876 CD2 HIS A 62 10.585 24.604 14.740 1.00 41.34 C ATOM 877 CE1 HIS A 62 9.603 23.572 16.406 1.00 1.31 C ATOM 878 NE2 HIS A 62 10.645 24.316 16.081 1.00 64.42 N ATOM 0 H HIS A 62 8.860 21.565 13.327 1.00 62.11 H new ATOM 0 HA HIS A 62 9.084 22.989 10.974 1.00 4.00 H new ATOM 0 HB2 HIS A 62 8.992 24.981 12.426 1.00 25.23 H new ATOM 0 HB3 HIS A 62 7.835 23.762 12.924 1.00 25.23 H new ATOM 0 HD2 HIS A 62 11.296 25.193 14.179 1.00 41.34 H new ATOM 0 HE1 HIS A 62 9.382 23.190 17.392 1.00 1.31 H new ATOM 0 HE2 HIS A 62 11.375 24.626 16.722 1.00 64.42 H new ATOM 886 N GLY A 63 11.314 24.172 10.752 1.00 62.33 N ATOM 887 CA GLY A 63 12.678 24.586 10.479 1.00 52.42 C ATOM 888 C GLY A 63 12.801 26.085 10.290 1.00 41.35 C ATOM 889 O GLY A 63 11.810 26.769 10.029 1.00 4.43 O ATOM 0 H GLY A 63 10.613 24.567 10.126 1.00 62.33 H new ATOM 0 HA2 GLY A 63 13.321 24.272 11.301 1.00 52.42 H new ATOM 0 HA3 GLY A 63 13.036 24.079 9.583 1.00 52.42 H new ATOM 893 N LEU A 64 14.019 26.598 10.422 1.00 43.33 N ATOM 894 CA LEU A 64 14.269 28.027 10.265 1.00 11.11 C ATOM 895 C LEU A 64 15.728 28.289 9.904 1.00 74.32 C ATOM 896 O LEU A 64 16.581 27.415 10.056 1.00 2.52 O ATOM 897 CB LEU A 64 13.909 28.772 11.552 1.00 71.22 C ATOM 898 CG LEU A 64 14.289 28.076 12.859 1.00 30.50 C ATOM 899 CD1 LEU A 64 13.300 26.965 13.180 1.00 42.44 C ATOM 900 CD2 LEU A 64 15.705 27.524 12.777 1.00 11.04 C ATOM 0 H LEU A 64 14.849 26.046 10.637 1.00 43.33 H new ATOM 0 HA LEU A 64 13.642 28.393 9.452 1.00 11.11 H new ATOM 0 HB2 LEU A 64 14.392 29.749 11.530 1.00 71.22 H new ATOM 0 HB3 LEU A 64 12.833 28.949 11.557 1.00 71.22 H new ATOM 0 HG LEU A 64 14.252 28.811 13.663 1.00 30.50 H new ATOM 0 HD11 LEU A 64 13.587 26.481 14.114 1.00 42.44 H new ATOM 0 HD12 LEU A 64 12.300 27.386 13.282 1.00 42.44 H new ATOM 0 HD13 LEU A 64 13.304 26.231 12.375 1.00 42.44 H new ATOM 0 HD21 LEU A 64 15.959 27.032 13.716 1.00 11.04 H new ATOM 0 HD22 LEU A 64 15.768 26.804 11.961 1.00 11.04 H new ATOM 0 HD23 LEU A 64 16.404 28.340 12.595 1.00 11.04 H new ATOM 912 N ALA A 65 16.006 29.497 9.426 1.00 10.34 N ATOM 913 CA ALA A 65 17.362 29.875 9.048 1.00 52.43 C ATOM 914 C ALA A 65 17.810 31.129 9.792 1.00 62.25 C ATOM 915 O ALA A 65 17.073 32.111 9.872 1.00 42.40 O ATOM 916 CB ALA A 65 17.449 30.092 7.544 1.00 32.02 C ATOM 0 H ALA A 65 15.310 30.231 9.291 1.00 10.34 H new ATOM 0 HA ALA A 65 18.031 29.061 9.326 1.00 52.43 H new ATOM 0 HB1 ALA A 65 18.467 30.374 7.275 1.00 32.02 H new ATOM 0 HB2 ALA A 65 17.179 29.171 7.027 1.00 32.02 H new ATOM 0 HB3 ALA A 65 16.763 30.887 7.251 1.00 32.02 H new ATOM 922 N SER A 66 19.023 31.087 10.334 1.00 13.25 N ATOM 923 CA SER A 66 19.567 32.218 11.076 1.00 4.50 C ATOM 924 C SER A 66 20.844 32.735 10.419 1.00 72.21 C ATOM 925 O SER A 66 21.885 32.078 10.454 1.00 32.22 O ATOM 926 CB SER A 66 19.853 31.816 12.524 1.00 13.33 C ATOM 927 OG SER A 66 19.663 32.911 13.404 1.00 31.23 O ATOM 0 H SER A 66 19.647 30.283 10.273 1.00 13.25 H new ATOM 0 HA SER A 66 18.825 33.016 11.068 1.00 4.50 H new ATOM 0 HB2 SER A 66 19.197 30.995 12.813 1.00 13.33 H new ATOM 0 HB3 SER A 66 20.877 31.451 12.608 1.00 13.33 H new ATOM 0 HG SER A 66 19.850 32.628 14.323 1.00 31.23 H new ATOM 933 N THR A 67 20.756 33.918 9.818 1.00 21.24 N ATOM 934 CA THR A 67 21.902 34.523 9.152 1.00 51.42 C ATOM 935 C THR A 67 22.681 35.423 10.105 1.00 75.30 C ATOM 936 O THR A 67 22.131 35.930 11.084 1.00 44.43 O ATOM 937 CB THR A 67 21.467 35.348 7.926 1.00 41.32 C ATOM 938 OG1 THR A 67 22.599 36.019 7.361 1.00 53.55 O ATOM 939 CG2 THR A 67 20.405 36.368 8.309 1.00 44.33 C ATOM 0 H THR A 67 19.903 34.476 9.779 1.00 21.24 H new ATOM 0 HA THR A 67 22.544 33.706 8.823 1.00 51.42 H new ATOM 0 HB THR A 67 21.044 34.666 7.188 1.00 41.32 H new ATOM 0 HG1 THR A 67 22.765 36.851 7.852 1.00 53.55 H new ATOM 0 HG21 THR A 67 20.114 36.939 7.427 1.00 44.33 H new ATOM 0 HG22 THR A 67 19.533 35.852 8.712 1.00 44.33 H new ATOM 0 HG23 THR A 67 20.806 37.045 9.063 1.00 44.33 H new ATOM 947 N LEU A 68 23.962 35.617 9.814 1.00 71.24 N ATOM 948 CA LEU A 68 24.817 36.457 10.645 1.00 30.22 C ATOM 949 C LEU A 68 25.966 37.040 9.830 1.00 65.14 C ATOM 950 O LEU A 68 27.118 37.025 10.263 1.00 72.34 O ATOM 951 CB LEU A 68 25.369 35.650 11.822 1.00 62.25 C ATOM 952 CG LEU A 68 25.499 36.400 13.148 1.00 63.33 C ATOM 953 CD1 LEU A 68 26.516 37.524 13.027 1.00 10.35 C ATOM 954 CD2 LEU A 68 24.148 36.945 13.587 1.00 21.51 C ATOM 0 H LEU A 68 24.432 35.204 9.008 1.00 71.24 H new ATOM 0 HA LEU A 68 24.214 37.280 11.028 1.00 30.22 H new ATOM 0 HB2 LEU A 68 24.724 34.786 11.978 1.00 62.25 H new ATOM 0 HB3 LEU A 68 26.352 35.268 11.546 1.00 62.25 H new ATOM 0 HG LEU A 68 25.850 35.700 13.907 1.00 63.33 H new ATOM 0 HD11 LEU A 68 26.595 38.047 13.980 1.00 10.35 H new ATOM 0 HD12 LEU A 68 27.487 37.108 12.759 1.00 10.35 H new ATOM 0 HD13 LEU A 68 26.195 38.223 12.255 1.00 10.35 H new ATOM 0 HD21 LEU A 68 24.260 37.476 14.533 1.00 21.51 H new ATOM 0 HD22 LEU A 68 23.768 37.630 12.829 1.00 21.51 H new ATOM 0 HD23 LEU A 68 23.447 36.120 13.714 1.00 21.51 H new ATOM 966 N ASN A 69 25.645 37.555 8.648 1.00 53.35 N ATOM 967 CA ASN A 69 26.651 38.145 7.772 1.00 55.43 C ATOM 968 C ASN A 69 26.133 39.434 7.140 1.00 50.11 C ATOM 969 O ASN A 69 24.972 39.802 7.319 1.00 23.43 O ATOM 970 CB ASN A 69 27.050 37.153 6.678 1.00 23.21 C ATOM 971 CG ASN A 69 25.905 36.841 5.734 1.00 64.12 C ATOM 972 OD1 ASN A 69 25.798 37.426 4.656 1.00 12.42 O ATOM 973 ND2 ASN A 69 25.043 35.914 6.136 1.00 40.45 N ATOM 0 H ASN A 69 24.696 37.576 8.274 1.00 53.35 H new ATOM 0 HA ASN A 69 27.527 38.383 8.375 1.00 55.43 H new ATOM 0 HB2 ASN A 69 27.885 37.561 6.109 1.00 23.21 H new ATOM 0 HB3 ASN A 69 27.399 36.229 7.139 1.00 23.21 H new ATOM 0 HD21 ASN A 69 24.253 35.661 5.543 1.00 40.45 H new ATOM 0 HD22 ASN A 69 25.171 35.455 7.038 1.00 40.45 H new ATOM 980 N GLN A 70 27.002 40.115 6.400 1.00 64.41 N ATOM 981 CA GLN A 70 26.633 41.362 5.742 1.00 52.13 C ATOM 982 C GLN A 70 26.801 41.251 4.230 1.00 22.40 C ATOM 983 O GLN A 70 27.517 42.040 3.615 1.00 10.02 O ATOM 984 CB GLN A 70 27.481 42.517 6.278 1.00 70.25 C ATOM 985 CG GLN A 70 28.953 42.171 6.429 1.00 65.20 C ATOM 986 CD GLN A 70 29.803 43.377 6.778 1.00 64.32 C ATOM 987 OE1 GLN A 70 29.309 44.360 7.329 1.00 2.45 O ATOM 988 NE2 GLN A 70 31.090 43.307 6.457 1.00 2.12 N ATOM 0 H GLN A 70 27.967 39.824 6.241 1.00 64.41 H new ATOM 0 HA GLN A 70 25.583 41.560 5.959 1.00 52.13 H new ATOM 0 HB2 GLN A 70 27.384 43.370 5.607 1.00 70.25 H new ATOM 0 HB3 GLN A 70 27.088 42.827 7.246 1.00 70.25 H new ATOM 0 HG2 GLN A 70 29.067 41.414 7.205 1.00 65.20 H new ATOM 0 HG3 GLN A 70 29.316 41.732 5.500 1.00 65.20 H new ATOM 0 HE21 GLN A 70 31.457 42.472 6.001 1.00 2.12 H new ATOM 0 HE22 GLN A 70 31.711 44.088 6.667 1.00 2.12 H new ATOM 997 N GLY A 71 26.137 40.264 3.636 1.00 34.34 N ATOM 998 CA GLY A 71 26.227 40.067 2.201 1.00 34.35 C ATOM 999 C GLY A 71 24.998 39.386 1.631 1.00 10.25 C ATOM 1000 O GLY A 71 23.905 39.500 2.184 1.00 12.10 O ATOM 0 H GLY A 71 25.538 39.597 4.123 1.00 34.34 H new ATOM 0 HA2 GLY A 71 26.363 41.032 1.713 1.00 34.35 H new ATOM 0 HA3 GLY A 71 27.109 39.468 1.974 1.00 34.35 H new ATOM 1004 N ASN A 72 25.177 38.677 0.521 1.00 3.55 N ATOM 1005 CA ASN A 72 24.073 37.978 -0.125 1.00 62.33 C ATOM 1006 C ASN A 72 24.270 36.466 -0.053 1.00 1.50 C ATOM 1007 O ASN A 72 25.352 35.956 -0.344 1.00 73.24 O ATOM 1008 CB ASN A 72 23.949 38.418 -1.585 1.00 75.33 C ATOM 1009 CG ASN A 72 25.212 39.079 -2.100 1.00 4.43 C ATOM 1010 OD1 ASN A 72 26.306 38.527 -1.985 1.00 64.55 O ATOM 1011 ND2 ASN A 72 25.067 40.270 -2.670 1.00 32.12 N ATOM 0 H ASN A 72 26.076 38.572 0.051 1.00 3.55 H new ATOM 0 HA ASN A 72 23.155 38.233 0.404 1.00 62.33 H new ATOM 0 HB2 ASN A 72 23.718 37.551 -2.204 1.00 75.33 H new ATOM 0 HB3 ASN A 72 23.114 39.112 -1.683 1.00 75.33 H new ATOM 0 HD21 ASN A 72 25.882 40.764 -3.034 1.00 32.12 H new ATOM 0 HD22 ASN A 72 24.141 40.691 -2.744 1.00 32.12 H new ATOM 1018 N VAL A 73 23.217 35.756 0.337 1.00 34.11 N ATOM 1019 CA VAL A 73 23.272 34.303 0.446 1.00 3.02 C ATOM 1020 C VAL A 73 22.191 33.646 -0.404 1.00 40.24 C ATOM 1021 O VAL A 73 21.169 34.260 -0.712 1.00 32.32 O ATOM 1022 CB VAL A 73 23.111 33.843 1.907 1.00 14.33 C ATOM 1023 CG1 VAL A 73 21.692 34.096 2.393 1.00 55.31 C ATOM 1024 CG2 VAL A 73 23.476 32.373 2.046 1.00 4.35 C ATOM 0 H VAL A 73 22.315 36.163 0.583 1.00 34.11 H new ATOM 0 HA VAL A 73 24.252 33.996 0.082 1.00 3.02 H new ATOM 0 HB VAL A 73 23.792 34.423 2.529 1.00 14.33 H new ATOM 0 HG11 VAL A 73 21.597 33.765 3.427 1.00 55.31 H new ATOM 0 HG12 VAL A 73 21.471 35.162 2.332 1.00 55.31 H new ATOM 0 HG13 VAL A 73 20.990 33.543 1.769 1.00 55.31 H new ATOM 0 HG21 VAL A 73 23.356 32.065 3.085 1.00 4.35 H new ATOM 0 HG22 VAL A 73 22.822 31.774 1.412 1.00 4.35 H new ATOM 0 HG23 VAL A 73 24.512 32.225 1.741 1.00 4.35 H new ATOM 1034 N LYS A 74 22.423 32.394 -0.782 1.00 72.42 N ATOM 1035 CA LYS A 74 21.468 31.650 -1.596 1.00 44.43 C ATOM 1036 C LYS A 74 20.785 30.562 -0.776 1.00 32.55 C ATOM 1037 O LYS A 74 21.435 29.635 -0.291 1.00 11.11 O ATOM 1038 CB LYS A 74 22.173 31.027 -2.804 1.00 10.35 C ATOM 1039 CG LYS A 74 21.242 30.738 -3.969 1.00 3.44 C ATOM 1040 CD LYS A 74 20.642 29.346 -3.871 1.00 12.03 C ATOM 1041 CE LYS A 74 21.679 28.271 -4.157 1.00 75.50 C ATOM 1042 NZ LYS A 74 21.358 27.507 -5.395 1.00 22.13 N ATOM 0 H LYS A 74 23.265 31.872 -0.538 1.00 72.42 H new ATOM 0 HA LYS A 74 20.707 32.347 -1.946 1.00 44.43 H new ATOM 0 HB2 LYS A 74 22.963 31.699 -3.139 1.00 10.35 H new ATOM 0 HB3 LYS A 74 22.654 30.099 -2.495 1.00 10.35 H new ATOM 0 HG2 LYS A 74 20.443 31.479 -3.990 1.00 3.44 H new ATOM 0 HG3 LYS A 74 21.790 30.834 -4.906 1.00 3.44 H new ATOM 0 HD2 LYS A 74 20.227 29.197 -2.874 1.00 12.03 H new ATOM 0 HD3 LYS A 74 19.817 29.254 -4.577 1.00 12.03 H new ATOM 0 HE2 LYS A 74 22.661 28.732 -4.259 1.00 75.50 H new ATOM 0 HE3 LYS A 74 21.735 27.586 -3.311 1.00 75.50 H new ATOM 0 HZ1 LYS A 74 22.088 26.784 -5.556 1.00 22.13 H new ATOM 0 HZ2 LYS A 74 20.432 27.046 -5.288 1.00 22.13 H new ATOM 0 HZ3 LYS A 74 21.330 28.157 -6.206 1.00 22.13 H new ATOM 1056 N VAL A 75 19.469 30.678 -0.624 1.00 43.54 N ATOM 1057 CA VAL A 75 18.697 29.703 0.135 1.00 23.45 C ATOM 1058 C VAL A 75 17.936 28.762 -0.792 1.00 14.23 C ATOM 1059 O VAL A 75 17.079 29.193 -1.564 1.00 73.34 O ATOM 1060 CB VAL A 75 17.698 30.392 1.083 1.00 10.40 C ATOM 1061 CG1 VAL A 75 16.862 29.359 1.822 1.00 23.34 C ATOM 1062 CG2 VAL A 75 18.430 31.297 2.062 1.00 5.22 C ATOM 0 H VAL A 75 18.916 31.439 -1.017 1.00 43.54 H new ATOM 0 HA VAL A 75 19.409 29.128 0.727 1.00 23.45 H new ATOM 0 HB VAL A 75 17.025 31.009 0.487 1.00 10.40 H new ATOM 0 HG11 VAL A 75 16.162 29.865 2.487 1.00 23.34 H new ATOM 0 HG12 VAL A 75 16.308 28.757 1.102 1.00 23.34 H new ATOM 0 HG13 VAL A 75 17.516 28.713 2.408 1.00 23.34 H new ATOM 0 HG21 VAL A 75 17.709 31.776 2.724 1.00 5.22 H new ATOM 0 HG22 VAL A 75 19.128 30.704 2.653 1.00 5.22 H new ATOM 0 HG23 VAL A 75 18.979 32.061 1.511 1.00 5.22 H new ATOM 1072 N THR A 76 18.253 27.474 -0.710 1.00 30.32 N ATOM 1073 CA THR A 76 17.599 26.471 -1.542 1.00 4.33 C ATOM 1074 C THR A 76 16.864 25.444 -0.689 1.00 14.10 C ATOM 1075 O THR A 76 17.339 25.052 0.376 1.00 5.31 O ATOM 1076 CB THR A 76 18.613 25.742 -2.443 1.00 62.32 C ATOM 1077 OG1 THR A 76 19.937 26.219 -2.178 1.00 51.22 O ATOM 1078 CG2 THR A 76 18.278 25.950 -3.913 1.00 24.45 C ATOM 0 H THR A 76 18.959 27.100 -0.076 1.00 30.32 H new ATOM 0 HA THR A 76 16.881 26.999 -2.169 1.00 4.33 H new ATOM 0 HB THR A 76 18.561 24.676 -2.222 1.00 62.32 H new ATOM 0 HG1 THR A 76 20.575 25.749 -2.754 1.00 51.22 H new ATOM 0 HG21 THR A 76 19.008 25.426 -4.530 1.00 24.45 H new ATOM 0 HG22 THR A 76 17.282 25.559 -4.118 1.00 24.45 H new ATOM 0 HG23 THR A 76 18.304 27.015 -4.145 1.00 24.45 H new ATOM 1086 N ALA A 77 15.701 25.011 -1.165 1.00 33.03 N ATOM 1087 CA ALA A 77 14.901 24.027 -0.447 1.00 35.33 C ATOM 1088 C ALA A 77 14.471 22.890 -1.368 1.00 50.45 C ATOM 1089 O ALA A 77 14.135 23.115 -2.531 1.00 62.13 O ATOM 1090 CB ALA A 77 13.683 24.691 0.178 1.00 14.02 C ATOM 0 H ALA A 77 15.292 25.326 -2.045 1.00 33.03 H new ATOM 0 HA ALA A 77 15.518 23.604 0.346 1.00 35.33 H new ATOM 0 HB1 ALA A 77 13.095 23.944 0.711 1.00 14.02 H new ATOM 0 HB2 ALA A 77 14.007 25.463 0.876 1.00 14.02 H new ATOM 0 HB3 ALA A 77 13.073 25.142 -0.604 1.00 14.02 H new ATOM 1096 N SER A 78 14.485 21.670 -0.842 1.00 13.01 N ATOM 1097 CA SER A 78 14.101 20.498 -1.619 1.00 72.35 C ATOM 1098 C SER A 78 13.454 19.442 -0.728 1.00 2.24 C ATOM 1099 O SER A 78 13.932 19.168 0.374 1.00 74.11 O ATOM 1100 CB SER A 78 15.322 19.906 -2.326 1.00 71.02 C ATOM 1101 OG SER A 78 15.880 20.833 -3.241 1.00 61.35 O ATOM 0 H SER A 78 14.758 21.467 0.120 1.00 13.01 H new ATOM 0 HA SER A 78 13.373 20.812 -2.367 1.00 72.35 H new ATOM 0 HB2 SER A 78 16.072 19.623 -1.588 1.00 71.02 H new ATOM 0 HB3 SER A 78 15.035 18.997 -2.854 1.00 71.02 H new ATOM 0 HG SER A 78 16.660 20.432 -3.679 1.00 61.35 H new ATOM 1107 N ILE A 79 12.366 18.854 -1.212 1.00 33.13 N ATOM 1108 CA ILE A 79 11.654 17.828 -0.460 1.00 12.02 C ATOM 1109 C ILE A 79 11.200 16.693 -1.372 1.00 4.12 C ATOM 1110 O ILE A 79 10.337 16.878 -2.228 1.00 41.35 O ATOM 1111 CB ILE A 79 10.426 18.411 0.265 1.00 42.03 C ATOM 1112 CG1 ILE A 79 9.619 17.293 0.927 1.00 73.43 C ATOM 1113 CG2 ILE A 79 9.558 19.193 -0.710 1.00 1.14 C ATOM 1114 CD1 ILE A 79 8.901 17.729 2.185 1.00 62.30 C ATOM 0 H ILE A 79 11.958 19.070 -2.121 1.00 33.13 H new ATOM 0 HA ILE A 79 12.352 17.439 0.281 1.00 12.02 H new ATOM 0 HB ILE A 79 10.771 19.093 1.042 1.00 42.03 H new ATOM 0 HG12 ILE A 79 8.887 16.913 0.214 1.00 73.43 H new ATOM 0 HG13 ILE A 79 10.288 16.467 1.168 1.00 73.43 H new ATOM 0 HG21 ILE A 79 8.694 19.599 -0.183 1.00 1.14 H new ATOM 0 HG22 ILE A 79 10.138 20.010 -1.139 1.00 1.14 H new ATOM 0 HG23 ILE A 79 9.219 18.531 -1.507 1.00 1.14 H new ATOM 0 HD11 ILE A 79 8.350 16.885 2.600 1.00 62.30 H new ATOM 0 HD12 ILE A 79 9.629 18.082 2.916 1.00 62.30 H new ATOM 0 HD13 ILE A 79 8.206 18.535 1.947 1.00 62.30 H new ATOM 1126 N GLY A 80 11.788 15.516 -1.180 1.00 22.11 N ATOM 1127 CA GLY A 80 11.431 14.367 -1.991 1.00 54.24 C ATOM 1128 C GLY A 80 11.798 14.551 -3.450 1.00 41.04 C ATOM 1129 O GLY A 80 12.904 14.209 -3.867 1.00 73.43 O ATOM 0 H GLY A 80 12.505 15.338 -0.477 1.00 22.11 H new ATOM 0 HA2 GLY A 80 11.933 13.481 -1.602 1.00 54.24 H new ATOM 0 HA3 GLY A 80 10.359 14.187 -1.909 1.00 54.24 H new ATOM 1133 N GLY A 81 10.867 15.092 -4.230 1.00 51.51 N ATOM 1134 CA GLY A 81 11.117 15.310 -5.643 1.00 21.10 C ATOM 1135 C GLY A 81 11.208 16.781 -5.996 1.00 4.21 C ATOM 1136 O GLY A 81 12.302 17.314 -6.186 1.00 62.25 O ATOM 0 H GLY A 81 9.944 15.383 -3.908 1.00 51.51 H new ATOM 0 HA2 GLY A 81 12.046 14.814 -5.925 1.00 21.10 H new ATOM 0 HA3 GLY A 81 10.319 14.849 -6.225 1.00 21.10 H new ATOM 1140 N ILE A 82 10.057 17.439 -6.085 1.00 5.21 N ATOM 1141 CA ILE A 82 10.013 18.857 -6.418 1.00 53.50 C ATOM 1142 C ILE A 82 10.953 19.662 -5.527 1.00 22.52 C ATOM 1143 O ILE A 82 11.129 19.346 -4.350 1.00 40.23 O ATOM 1144 CB ILE A 82 8.587 19.423 -6.282 1.00 74.13 C ATOM 1145 CG1 ILE A 82 7.637 18.708 -7.246 1.00 21.44 C ATOM 1146 CG2 ILE A 82 8.584 20.922 -6.543 1.00 21.21 C ATOM 1147 CD1 ILE A 82 7.949 18.964 -8.703 1.00 41.13 C ATOM 0 H ILE A 82 9.143 17.013 -5.931 1.00 5.21 H new ATOM 0 HA ILE A 82 10.335 18.946 -7.456 1.00 53.50 H new ATOM 0 HB ILE A 82 8.240 19.251 -5.263 1.00 74.13 H new ATOM 0 HG12 ILE A 82 7.680 17.635 -7.057 1.00 21.44 H new ATOM 0 HG13 ILE A 82 6.615 19.027 -7.040 1.00 21.44 H new ATOM 0 HG21 ILE A 82 7.569 21.307 -6.443 1.00 21.21 H new ATOM 0 HG22 ILE A 82 9.233 21.418 -5.821 1.00 21.21 H new ATOM 0 HG23 ILE A 82 8.948 21.116 -7.552 1.00 21.21 H new ATOM 0 HD11 ILE A 82 7.236 18.426 -9.328 1.00 41.13 H new ATOM 0 HD12 ILE A 82 7.878 20.032 -8.908 1.00 41.13 H new ATOM 0 HD13 ILE A 82 8.959 18.619 -8.925 1.00 41.13 H new ATOM 1159 N GLN A 83 11.553 20.702 -6.096 1.00 4.04 N ATOM 1160 CA GLN A 83 12.475 21.552 -5.352 1.00 3.23 C ATOM 1161 C GLN A 83 12.231 23.025 -5.665 1.00 30.32 C ATOM 1162 O GLN A 83 11.591 23.360 -6.660 1.00 55.11 O ATOM 1163 CB GLN A 83 13.922 21.182 -5.681 1.00 24.21 C ATOM 1164 CG GLN A 83 14.376 21.660 -7.050 1.00 44.34 C ATOM 1165 CD GLN A 83 15.826 21.320 -7.337 1.00 12.14 C ATOM 1166 OE1 GLN A 83 16.625 22.193 -7.678 1.00 34.21 O ATOM 1167 NE2 GLN A 83 16.173 20.046 -7.199 1.00 24.03 N ATOM 0 H GLN A 83 11.418 20.976 -7.069 1.00 4.04 H new ATOM 0 HA GLN A 83 12.299 21.391 -4.288 1.00 3.23 H new ATOM 0 HB2 GLN A 83 14.578 21.606 -4.921 1.00 24.21 H new ATOM 0 HB3 GLN A 83 14.032 20.099 -5.629 1.00 24.21 H new ATOM 0 HG2 GLN A 83 13.743 21.211 -7.815 1.00 44.34 H new ATOM 0 HG3 GLN A 83 14.240 22.739 -7.117 1.00 44.34 H new ATOM 0 HE21 GLN A 83 15.478 19.356 -6.914 1.00 24.03 H new ATOM 0 HE22 GLN A 83 17.135 19.757 -7.378 1.00 24.03 H new ATOM 1176 N GLY A 84 12.746 23.901 -4.807 1.00 70.40 N ATOM 1177 CA GLY A 84 12.572 25.327 -5.010 1.00 4.15 C ATOM 1178 C GLY A 84 13.828 26.115 -4.691 1.00 33.20 C ATOM 1179 O GLY A 84 14.810 25.559 -4.200 1.00 32.41 O ATOM 0 H GLY A 84 13.280 23.648 -3.976 1.00 70.40 H new ATOM 0 HA2 GLY A 84 12.284 25.511 -6.045 1.00 4.15 H new ATOM 0 HA3 GLY A 84 11.754 25.683 -4.383 1.00 4.15 H new ATOM 1183 N SER A 85 13.797 27.414 -4.973 1.00 31.55 N ATOM 1184 CA SER A 85 14.943 28.278 -4.718 1.00 1.20 C ATOM 1185 C SER A 85 14.492 29.636 -4.187 1.00 63.33 C ATOM 1186 O SER A 85 13.387 30.094 -4.478 1.00 35.35 O ATOM 1187 CB SER A 85 15.762 28.464 -5.997 1.00 3.34 C ATOM 1188 OG SER A 85 14.929 28.453 -7.143 1.00 32.25 O ATOM 0 H SER A 85 12.991 27.890 -5.378 1.00 31.55 H new ATOM 0 HA SER A 85 15.566 27.801 -3.962 1.00 1.20 H new ATOM 0 HB2 SER A 85 16.307 29.407 -5.949 1.00 3.34 H new ATOM 0 HB3 SER A 85 16.504 27.670 -6.076 1.00 3.34 H new ATOM 0 HG SER A 85 15.476 28.575 -7.947 1.00 32.25 H new ATOM 1194 N THR A 86 15.357 30.276 -3.407 1.00 22.14 N ATOM 1195 CA THR A 86 15.049 31.580 -2.833 1.00 44.15 C ATOM 1196 C THR A 86 16.300 32.446 -2.734 1.00 20.00 C ATOM 1197 O THR A 86 17.416 31.934 -2.641 1.00 34.53 O ATOM 1198 CB THR A 86 14.420 31.444 -1.434 1.00 41.41 C ATOM 1199 OG1 THR A 86 13.673 30.226 -1.349 1.00 31.20 O ATOM 1200 CG2 THR A 86 13.510 32.625 -1.133 1.00 52.53 C ATOM 0 H THR A 86 16.277 29.912 -3.158 1.00 22.14 H new ATOM 0 HA THR A 86 14.332 32.058 -3.500 1.00 44.15 H new ATOM 0 HB THR A 86 15.224 31.428 -0.698 1.00 41.41 H new ATOM 0 HG1 THR A 86 13.549 29.983 -0.408 1.00 31.20 H new ATOM 0 HG21 THR A 86 13.077 32.507 -0.140 1.00 52.53 H new ATOM 0 HG22 THR A 86 14.088 33.548 -1.169 1.00 52.53 H new ATOM 0 HG23 THR A 86 12.712 32.667 -1.874 1.00 52.53 H new ATOM 1208 N ASP A 87 16.107 33.760 -2.754 1.00 0.12 N ATOM 1209 CA ASP A 87 17.220 34.698 -2.664 1.00 23.11 C ATOM 1210 C ASP A 87 17.135 35.522 -1.383 1.00 34.11 C ATOM 1211 O ASP A 87 16.127 36.179 -1.122 1.00 10.44 O ATOM 1212 CB ASP A 87 17.234 35.624 -3.881 1.00 3.11 C ATOM 1213 CG ASP A 87 18.250 36.742 -3.746 1.00 74.21 C ATOM 1214 OD1 ASP A 87 19.421 36.526 -4.120 1.00 4.54 O ATOM 1215 OD2 ASP A 87 17.873 37.832 -3.266 1.00 74.34 O ATOM 0 H ASP A 87 15.190 34.200 -2.832 1.00 0.12 H new ATOM 0 HA ASP A 87 18.146 34.123 -2.644 1.00 23.11 H new ATOM 0 HB2 ASP A 87 17.456 35.041 -4.775 1.00 3.11 H new ATOM 0 HB3 ASP A 87 16.242 36.053 -4.019 1.00 3.11 H new ATOM 1220 N PHE A 88 18.198 35.481 -0.587 1.00 33.33 N ATOM 1221 CA PHE A 88 18.242 36.222 0.668 1.00 20.24 C ATOM 1222 C PHE A 88 19.509 37.068 0.756 1.00 32.10 C ATOM 1223 O PHE A 88 20.614 36.578 0.522 1.00 1.33 O ATOM 1224 CB PHE A 88 18.175 35.259 1.856 1.00 12.51 C ATOM 1225 CG PHE A 88 17.018 35.524 2.777 1.00 4.14 C ATOM 1226 CD1 PHE A 88 15.731 35.639 2.279 1.00 33.31 C ATOM 1227 CD2 PHE A 88 17.219 35.659 4.142 1.00 63.13 C ATOM 1228 CE1 PHE A 88 14.664 35.882 3.124 1.00 22.21 C ATOM 1229 CE2 PHE A 88 16.157 35.902 4.992 1.00 72.34 C ATOM 1230 CZ PHE A 88 14.878 36.015 4.482 1.00 31.51 C ATOM 0 H PHE A 88 19.040 34.943 -0.789 1.00 33.33 H new ATOM 0 HA PHE A 88 17.379 36.887 0.699 1.00 20.24 H new ATOM 0 HB2 PHE A 88 18.105 34.238 1.482 1.00 12.51 H new ATOM 0 HB3 PHE A 88 19.104 35.328 2.423 1.00 12.51 H new ATOM 0 HD1 PHE A 88 15.559 35.538 1.218 1.00 33.31 H new ATOM 0 HD2 PHE A 88 18.217 35.573 4.546 1.00 63.13 H new ATOM 0 HE1 PHE A 88 13.665 35.968 2.723 1.00 22.21 H new ATOM 0 HE2 PHE A 88 16.327 36.003 6.054 1.00 72.34 H new ATOM 0 HZ PHE A 88 14.047 36.207 5.144 1.00 31.51 H new ATOM 1240 N LYS A 89 19.340 38.342 1.094 1.00 70.21 N ATOM 1241 CA LYS A 89 20.468 39.258 1.214 1.00 52.03 C ATOM 1242 C LYS A 89 20.446 39.975 2.560 1.00 71.11 C ATOM 1243 O LYS A 89 19.601 40.837 2.802 1.00 74.41 O ATOM 1244 CB LYS A 89 20.442 40.283 0.078 1.00 54.04 C ATOM 1245 CG LYS A 89 21.538 41.329 0.177 1.00 44.12 C ATOM 1246 CD LYS A 89 22.260 41.508 -1.149 1.00 13.25 C ATOM 1247 CE LYS A 89 22.373 42.977 -1.528 1.00 33.23 C ATOM 1248 NZ LYS A 89 23.290 43.182 -2.683 1.00 14.51 N ATOM 0 H LYS A 89 18.432 38.764 1.290 1.00 70.21 H new ATOM 0 HA LYS A 89 21.386 38.674 1.148 1.00 52.03 H new ATOM 0 HB2 LYS A 89 20.535 39.760 -0.874 1.00 54.04 H new ATOM 0 HB3 LYS A 89 19.474 40.783 0.073 1.00 54.04 H new ATOM 0 HG2 LYS A 89 21.107 42.280 0.489 1.00 44.12 H new ATOM 0 HG3 LYS A 89 22.254 41.036 0.945 1.00 44.12 H new ATOM 0 HD2 LYS A 89 23.256 41.070 -1.084 1.00 13.25 H new ATOM 0 HD3 LYS A 89 21.725 40.969 -1.931 1.00 13.25 H new ATOM 0 HE2 LYS A 89 21.385 43.365 -1.775 1.00 33.23 H new ATOM 0 HE3 LYS A 89 22.734 43.546 -0.672 1.00 33.23 H new ATOM 0 HZ1 LYS A 89 23.340 44.196 -2.911 1.00 14.51 H new ATOM 0 HZ2 LYS A 89 24.239 42.835 -2.439 1.00 14.51 H new ATOM 0 HZ3 LYS A 89 22.932 42.659 -3.508 1.00 14.51 H new ATOM 1262 N VAL A 90 21.381 39.614 3.433 1.00 44.43 N ATOM 1263 CA VAL A 90 21.471 40.225 4.754 1.00 52.24 C ATOM 1264 C VAL A 90 22.429 41.411 4.747 1.00 52.21 C ATOM 1265 O VAL A 90 23.580 41.292 4.326 1.00 0.10 O ATOM 1266 CB VAL A 90 21.938 39.208 5.812 1.00 53.12 C ATOM 1267 CG1 VAL A 90 23.242 38.553 5.384 1.00 71.42 C ATOM 1268 CG2 VAL A 90 22.090 39.882 7.167 1.00 32.01 C ATOM 0 H VAL A 90 22.087 38.901 3.249 1.00 44.43 H new ATOM 0 HA VAL A 90 20.470 40.572 5.011 1.00 52.24 H new ATOM 0 HB VAL A 90 21.181 38.429 5.902 1.00 53.12 H new ATOM 0 HG11 VAL A 90 23.556 37.838 6.144 1.00 71.42 H new ATOM 0 HG12 VAL A 90 23.095 38.035 4.436 1.00 71.42 H new ATOM 0 HG13 VAL A 90 24.011 39.317 5.264 1.00 71.42 H new ATOM 0 HG21 VAL A 90 22.421 39.149 7.903 1.00 32.01 H new ATOM 0 HG22 VAL A 90 22.827 40.682 7.095 1.00 32.01 H new ATOM 0 HG23 VAL A 90 21.131 40.299 7.476 1.00 32.01 H new ATOM 1278 N THR A 91 21.946 42.557 5.217 1.00 42.41 N ATOM 1279 CA THR A 91 22.759 43.766 5.265 1.00 52.31 C ATOM 1280 C THR A 91 22.902 44.276 6.694 1.00 12.33 C ATOM 1281 O THR A 91 22.279 43.750 7.615 1.00 35.44 O ATOM 1282 CB THR A 91 22.157 44.883 4.391 1.00 33.03 C ATOM 1283 OG1 THR A 91 21.325 44.314 3.374 1.00 14.31 O ATOM 1284 CG2 THR A 91 23.254 45.718 3.748 1.00 33.12 C ATOM 0 H THR A 91 20.996 42.673 5.570 1.00 42.41 H new ATOM 0 HA THR A 91 23.742 43.501 4.877 1.00 52.31 H new ATOM 0 HB THR A 91 21.557 45.531 5.030 1.00 33.03 H new ATOM 0 HG1 THR A 91 20.945 45.030 2.824 1.00 14.31 H new ATOM 0 HG21 THR A 91 22.805 46.500 3.136 1.00 33.12 H new ATOM 0 HG22 THR A 91 23.868 46.173 4.525 1.00 33.12 H new ATOM 0 HG23 THR A 91 23.877 45.080 3.121 1.00 33.12 H new ATOM 1292 N GLN A 92 23.726 45.304 6.871 1.00 14.23 N ATOM 1293 CA GLN A 92 23.950 45.885 8.190 1.00 75.21 C ATOM 1294 C GLN A 92 24.616 44.878 9.122 1.00 45.33 C ATOM 1295 O GLN A 92 25.596 45.196 9.797 1.00 11.14 O ATOM 1296 CB GLN A 92 22.626 46.357 8.794 1.00 51.53 C ATOM 1297 CG GLN A 92 22.532 47.867 8.948 1.00 62.10 C ATOM 1298 CD GLN A 92 22.310 48.576 7.627 1.00 74.24 C ATOM 1299 OE1 GLN A 92 23.260 48.887 6.908 1.00 71.31 O ATOM 1300 NE2 GLN A 92 21.049 48.836 7.299 1.00 63.52 N ATOM 0 H GLN A 92 24.249 45.751 6.118 1.00 14.23 H new ATOM 0 HA GLN A 92 24.615 46.741 8.074 1.00 75.21 H new ATOM 0 HB2 GLN A 92 21.806 46.012 8.164 1.00 51.53 H new ATOM 0 HB3 GLN A 92 22.495 45.892 9.771 1.00 51.53 H new ATOM 0 HG2 GLN A 92 21.715 48.109 9.627 1.00 62.10 H new ATOM 0 HG3 GLN A 92 23.448 48.239 9.406 1.00 62.10 H new ATOM 0 HE21 GLN A 92 20.292 48.560 7.925 1.00 63.52 H new ATOM 0 HE22 GLN A 92 20.838 49.311 6.421 1.00 63.52 H new