USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1059 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 101 SER OG : rot 160:sc= -4.5! USER MOD Set 1.2: A 135 GLN : amide:sc= -4.16! C(o=-8.7!,f=-10!) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.349 F(o=-2.2,f=-0.35) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0228 F(o=-1.1,f=-0.023) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -44:sc= 0.642 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -25:sc= 1.33 USER MOD Single : A 28 THR OG1 : rot -160:sc= -1.27 USER MOD Single : A 29 THR OG1 : rot 180:sc= -3.52! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc=0.000352 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 70:sc= 0.0258 USER MOD Single : A 41 GLN : amide:sc= -0.81 K(o=-0.81,f=-1.5) USER MOD Single : A 42 ASN : amide:sc= -0.019 K(o=-0.019,f=-0.56) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0294 F(o=-2,f=-0.029) USER MOD Single : A 62 THR OG1 : rot 55:sc= 1.13 USER MOD Single : A 70 THR OG1 : rot -15:sc= -0.908! USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -170:sc= -0.102 (180deg=-0.274) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 1.18 (180deg=0.765) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc=-0.00112 (180deg=-0.123) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.0147 (180deg=-0.683) USER MOD Single : A 97 ASN : amide:sc= -8.47! C(o=-8.5!,f=-14!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.91!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 106:sc= 0.388 USER MOD Single : A 111 ASN : amide:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 170:sc= -0.162 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -3.7! C(o=-3.7!,f=-9.8!) USER MOD Single : A 138 TYR OH : rot -130:sc= -2.25 USER MOD Single : A 143 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.029) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 51.662 -17.078 14.103 1.00 20.16 N ATOM 2 CA GLN A 3 50.488 -16.253 13.841 1.00 19.97 C ATOM 3 C GLN A 3 50.523 -15.707 12.417 1.00 17.59 C ATOM 4 O GLN A 3 49.818 -16.199 11.536 1.00 19.14 O ATOM 5 CB GLN A 3 50.434 -15.091 14.834 1.00 20.20 C ATOM 6 CG GLN A 3 48.975 -14.745 15.137 1.00 23.46 C ATOM 7 CD GLN A 3 48.325 -15.875 15.928 1.00 22.58 C ATOM 8 OE1 GLN A 3 49.064 -16.846 16.389 1.00 23.20 O flip ATOM 9 NE2 GLN A 3 47.111 -15.873 16.132 1.00 23.18 N flip ATOM 0 HA GLN A 3 49.599 -16.872 13.958 1.00 19.97 H new ATOM 0 HB2 GLN A 3 50.953 -15.360 15.754 1.00 20.20 H new ATOM 0 HB3 GLN A 3 50.947 -14.222 14.421 1.00 20.20 H new ATOM 0 HG2 GLN A 3 48.923 -13.816 15.705 1.00 23.46 H new ATOM 0 HG3 GLN A 3 48.431 -14.581 14.207 1.00 23.46 H new ATOM 0 HE21 GLN A 3 46.534 -15.113 15.771 1.00 23.18 H new ATOM 0 HE22 GLN A 3 46.682 -16.631 16.662 1.00 23.18 H new ATOM 18 N LEU A 4 51.348 -14.689 12.200 1.00 13.49 N ATOM 19 CA LEU A 4 51.467 -14.083 10.878 1.00 12.54 C ATOM 20 C LEU A 4 52.426 -14.887 10.005 1.00 9.75 C ATOM 21 O LEU A 4 53.561 -15.155 10.398 1.00 11.53 O ATOM 22 CB LEU A 4 51.974 -12.646 11.006 1.00 12.03 C ATOM 23 CG LEU A 4 51.309 -11.773 9.941 1.00 14.38 C ATOM 24 CD1 LEU A 4 49.916 -11.357 10.418 1.00 12.06 C ATOM 25 CD2 LEU A 4 52.159 -10.523 9.704 1.00 13.89 C ATOM 0 H LEU A 4 51.940 -14.268 12.916 1.00 13.49 H new ATOM 0 HA LEU A 4 50.483 -14.080 10.410 1.00 12.54 H new ATOM 0 HB2 LEU A 4 51.752 -12.258 12.000 1.00 12.03 H new ATOM 0 HB3 LEU A 4 53.057 -12.620 10.888 1.00 12.03 H new ATOM 0 HG LEU A 4 51.222 -12.337 9.012 1.00 14.38 H new ATOM 0 HD11 LEU A 4 49.442 -10.735 9.659 1.00 12.06 H new ATOM 0 HD12 LEU A 4 49.309 -12.246 10.589 1.00 12.06 H new ATOM 0 HD13 LEU A 4 50.003 -10.793 11.347 1.00 12.06 H new ATOM 0 HD21 LEU A 4 51.686 -9.900 8.945 1.00 13.89 H new ATOM 0 HD22 LEU A 4 52.245 -9.960 10.633 1.00 13.89 H new ATOM 0 HD23 LEU A 4 53.152 -10.817 9.365 1.00 13.89 H new ATOM 37 N THR A 5 51.960 -15.268 8.820 1.00 7.34 N ATOM 38 CA THR A 5 52.786 -16.041 7.899 1.00 2.31 C ATOM 39 C THR A 5 53.948 -15.198 7.384 1.00 2.00 C ATOM 40 O THR A 5 53.832 -13.980 7.250 1.00 2.00 O ATOM 41 CB THR A 5 51.940 -16.523 6.718 1.00 2.00 C ATOM 42 OG1 THR A 5 52.677 -16.364 5.514 1.00 2.35 O ATOM 43 CG2 THR A 5 50.651 -15.703 6.643 1.00 2.65 C ATOM 0 H THR A 5 51.023 -15.056 8.477 1.00 7.34 H new ATOM 0 HA THR A 5 53.186 -16.902 8.435 1.00 2.31 H new ATOM 0 HB THR A 5 51.690 -17.575 6.855 1.00 2.00 H new ATOM 0 HG1 THR A 5 52.137 -16.674 4.757 1.00 2.35 H new ATOM 0 HG21 THR A 5 50.049 -16.047 5.802 1.00 2.65 H new ATOM 0 HG22 THR A 5 50.087 -15.827 7.567 1.00 2.65 H new ATOM 0 HG23 THR A 5 50.897 -14.650 6.506 1.00 2.65 H new ATOM 51 N GLU A 6 55.067 -15.854 7.098 1.00 2.00 N ATOM 52 CA GLU A 6 56.245 -15.154 6.599 1.00 2.00 C ATOM 53 C GLU A 6 55.893 -14.322 5.370 1.00 2.00 C ATOM 54 O GLU A 6 56.346 -13.186 5.228 1.00 2.00 O ATOM 55 CB GLU A 6 57.338 -16.163 6.238 1.00 2.00 C ATOM 56 CG GLU A 6 56.701 -17.402 5.606 1.00 2.39 C ATOM 57 CD GLU A 6 57.787 -18.344 5.098 1.00 7.12 C ATOM 58 OE1 GLU A 6 57.444 -19.429 4.658 1.00 4.58 O ATOM 59 OE2 GLU A 6 58.946 -17.968 5.157 1.00 2.00 O ATOM 0 H GLU A 6 55.183 -16.862 7.202 1.00 2.00 H new ATOM 0 HA GLU A 6 56.608 -14.489 7.382 1.00 2.00 H new ATOM 0 HB2 GLU A 6 58.049 -15.713 5.545 1.00 2.00 H new ATOM 0 HB3 GLU A 6 57.897 -16.444 7.130 1.00 2.00 H new ATOM 0 HG2 GLU A 6 56.077 -17.914 6.338 1.00 2.39 H new ATOM 0 HG3 GLU A 6 56.050 -17.107 4.783 1.00 2.39 H new ATOM 66 N GLU A 7 55.083 -14.894 4.486 1.00 2.00 N ATOM 67 CA GLU A 7 54.677 -14.194 3.273 1.00 2.00 C ATOM 68 C GLU A 7 54.101 -12.823 3.612 1.00 2.00 C ATOM 69 O GLU A 7 54.322 -11.850 2.890 1.00 2.00 O ATOM 70 CB GLU A 7 53.629 -15.018 2.521 1.00 2.00 C ATOM 71 CG GLU A 7 54.163 -16.432 2.287 1.00 2.00 C ATOM 72 CD GLU A 7 53.195 -17.216 1.408 1.00 6.50 C ATOM 73 OE1 GLU A 7 53.356 -17.174 0.200 1.00 4.99 O ATOM 74 OE2 GLU A 7 52.306 -17.847 1.956 1.00 6.85 O ATOM 0 H GLU A 7 54.697 -15.833 4.585 1.00 2.00 H new ATOM 0 HA GLU A 7 55.556 -14.060 2.642 1.00 2.00 H new ATOM 0 HB2 GLU A 7 52.703 -15.058 3.094 1.00 2.00 H new ATOM 0 HB3 GLU A 7 53.394 -14.544 1.568 1.00 2.00 H new ATOM 0 HG2 GLU A 7 55.143 -16.386 1.812 1.00 2.00 H new ATOM 0 HG3 GLU A 7 54.296 -16.942 3.241 1.00 2.00 H new ATOM 81 N GLN A 8 53.361 -12.753 4.713 1.00 2.00 N ATOM 82 CA GLN A 8 52.757 -11.496 5.139 1.00 2.00 C ATOM 83 C GLN A 8 53.782 -10.628 5.863 1.00 2.00 C ATOM 84 O GLN A 8 53.894 -9.431 5.598 1.00 2.26 O ATOM 85 CB GLN A 8 51.573 -11.772 6.066 1.00 2.98 C ATOM 86 CG GLN A 8 50.352 -12.167 5.233 1.00 3.96 C ATOM 87 CD GLN A 8 49.165 -12.448 6.147 1.00 6.08 C ATOM 88 OE1 GLN A 8 49.123 -11.904 7.333 1.00 7.35 O flip ATOM 89 NE2 GLN A 8 48.251 -13.182 5.772 1.00 15.10 N flip ATOM 0 H GLN A 8 53.166 -13.547 5.323 1.00 2.00 H new ATOM 0 HA GLN A 8 52.407 -10.964 4.254 1.00 2.00 H new ATOM 0 HB2 GLN A 8 51.823 -12.570 6.765 1.00 2.98 H new ATOM 0 HB3 GLN A 8 51.349 -10.886 6.661 1.00 2.98 H new ATOM 0 HG2 GLN A 8 50.103 -11.367 4.536 1.00 3.96 H new ATOM 0 HG3 GLN A 8 50.579 -13.051 4.636 1.00 3.96 H new ATOM 0 HE21 GLN A 8 48.285 -13.606 4.845 1.00 15.10 H new ATOM 0 HE22 GLN A 8 47.459 -13.366 6.388 1.00 15.10 H new ATOM 98 N ILE A 9 54.526 -11.239 6.778 1.00 2.00 N ATOM 99 CA ILE A 9 55.539 -10.512 7.535 1.00 2.00 C ATOM 100 C ILE A 9 56.546 -9.860 6.593 1.00 3.62 C ATOM 101 O ILE A 9 57.194 -8.875 6.947 1.00 2.00 O ATOM 102 CB ILE A 9 56.267 -11.466 8.483 1.00 2.16 C ATOM 103 CG1 ILE A 9 55.243 -12.199 9.352 1.00 2.00 C ATOM 104 CG2 ILE A 9 57.217 -10.669 9.379 1.00 4.72 C ATOM 105 CD1 ILE A 9 55.863 -13.487 9.897 1.00 2.00 C ATOM 0 H ILE A 9 54.448 -12.229 7.013 1.00 2.00 H new ATOM 0 HA ILE A 9 55.044 -9.733 8.114 1.00 2.00 H new ATOM 0 HB ILE A 9 56.838 -12.191 7.902 1.00 2.16 H new ATOM 0 HG12 ILE A 9 54.925 -11.559 10.175 1.00 2.00 H new ATOM 0 HG13 ILE A 9 54.353 -12.431 8.767 1.00 2.00 H new ATOM 0 HG21 ILE A 9 57.736 -11.349 10.055 1.00 4.72 H new ATOM 0 HG22 ILE A 9 57.946 -10.145 8.761 1.00 4.72 H new ATOM 0 HG23 ILE A 9 56.647 -9.945 9.960 1.00 4.72 H new ATOM 0 HD11 ILE A 9 55.133 -14.009 10.516 1.00 2.00 H new ATOM 0 HD12 ILE A 9 56.159 -14.128 9.067 1.00 2.00 H new ATOM 0 HD13 ILE A 9 56.740 -13.243 10.497 1.00 2.00 H new ATOM 117 N ALA A 10 56.673 -10.416 5.393 1.00 5.09 N ATOM 118 CA ALA A 10 57.605 -9.879 4.408 1.00 5.63 C ATOM 119 C ALA A 10 57.019 -8.644 3.731 1.00 4.82 C ATOM 120 O ALA A 10 57.596 -7.559 3.792 1.00 4.15 O ATOM 121 CB ALA A 10 57.918 -10.941 3.352 1.00 6.68 C ATOM 0 H ALA A 10 56.147 -11.232 5.080 1.00 5.09 H new ATOM 0 HA ALA A 10 58.523 -9.596 4.922 1.00 5.63 H new ATOM 0 HB1 ALA A 10 58.615 -10.532 2.620 1.00 6.68 H new ATOM 0 HB2 ALA A 10 58.366 -11.811 3.832 1.00 6.68 H new ATOM 0 HB3 ALA A 10 56.997 -11.238 2.850 1.00 6.68 H new ATOM 127 N GLU A 11 55.869 -8.818 3.087 1.00 2.54 N ATOM 128 CA GLU A 11 55.214 -7.710 2.403 1.00 3.13 C ATOM 129 C GLU A 11 55.142 -6.486 3.311 1.00 5.12 C ATOM 130 O GLU A 11 55.264 -5.351 2.850 1.00 4.53 O ATOM 131 CB GLU A 11 53.801 -8.118 1.980 1.00 2.38 C ATOM 132 CG GLU A 11 53.879 -9.035 0.758 1.00 4.44 C ATOM 133 CD GLU A 11 52.538 -9.728 0.540 1.00 7.86 C ATOM 134 OE1 GLU A 11 52.542 -10.833 0.023 1.00 9.34 O ATOM 135 OE2 GLU A 11 51.527 -9.144 0.894 1.00 18.49 O ATOM 0 H GLU A 11 55.375 -9.708 3.025 1.00 2.54 H new ATOM 0 HA GLU A 11 55.799 -7.458 1.518 1.00 3.13 H new ATOM 0 HB2 GLU A 11 53.298 -8.630 2.800 1.00 2.38 H new ATOM 0 HB3 GLU A 11 53.210 -7.232 1.746 1.00 2.38 H new ATOM 0 HG2 GLU A 11 54.146 -8.455 -0.126 1.00 4.44 H new ATOM 0 HG3 GLU A 11 54.663 -9.779 0.900 1.00 4.44 H new ATOM 142 N PHE A 12 54.942 -6.725 4.603 1.00 3.94 N ATOM 143 CA PHE A 12 54.856 -5.635 5.567 1.00 5.41 C ATOM 144 C PHE A 12 56.173 -4.869 5.630 1.00 3.84 C ATOM 145 O PHE A 12 56.188 -3.639 5.623 1.00 4.14 O ATOM 146 CB PHE A 12 54.517 -6.188 6.952 1.00 4.97 C ATOM 147 CG PHE A 12 53.025 -6.124 7.170 1.00 7.97 C ATOM 148 CD1 PHE A 12 52.387 -4.883 7.288 1.00 13.16 C ATOM 149 CD2 PHE A 12 52.278 -7.305 7.253 1.00 11.29 C ATOM 150 CE1 PHE A 12 51.003 -4.824 7.489 1.00 14.89 C ATOM 151 CE2 PHE A 12 50.894 -7.246 7.455 1.00 13.52 C ATOM 152 CZ PHE A 12 50.256 -6.005 7.573 1.00 12.41 C ATOM 0 H PHE A 12 54.837 -7.657 5.004 1.00 3.94 H new ATOM 0 HA PHE A 12 54.068 -4.953 5.246 1.00 5.41 H new ATOM 0 HB2 PHE A 12 54.864 -7.218 7.039 1.00 4.97 H new ATOM 0 HB3 PHE A 12 55.032 -5.612 7.721 1.00 4.97 H new ATOM 0 HD1 PHE A 12 52.963 -3.972 7.224 1.00 13.16 H new ATOM 0 HD2 PHE A 12 52.770 -8.262 7.161 1.00 11.29 H new ATOM 0 HE1 PHE A 12 50.511 -3.867 7.579 1.00 14.89 H new ATOM 0 HE2 PHE A 12 50.318 -8.157 7.520 1.00 13.52 H new ATOM 0 HZ PHE A 12 49.188 -5.959 7.729 1.00 12.41 H new ATOM 162 N LYS A 13 57.278 -5.606 5.692 1.00 4.24 N ATOM 163 CA LYS A 13 58.596 -4.985 5.756 1.00 5.23 C ATOM 164 C LYS A 13 58.719 -3.882 4.709 1.00 4.55 C ATOM 165 O LYS A 13 59.400 -2.880 4.927 1.00 2.18 O ATOM 166 CB LYS A 13 59.681 -6.037 5.522 1.00 7.96 C ATOM 167 CG LYS A 13 59.821 -6.913 6.768 1.00 10.74 C ATOM 168 CD LYS A 13 61.169 -7.637 6.736 1.00 12.48 C ATOM 169 CE LYS A 13 62.238 -6.754 7.382 1.00 16.63 C ATOM 170 NZ LYS A 13 63.539 -7.482 7.400 1.00 18.39 N ATOM 0 H LYS A 13 57.287 -6.626 5.699 1.00 4.24 H new ATOM 0 HA LYS A 13 58.723 -4.547 6.746 1.00 5.23 H new ATOM 0 HB2 LYS A 13 59.426 -6.652 4.659 1.00 7.96 H new ATOM 0 HB3 LYS A 13 60.631 -5.551 5.298 1.00 7.96 H new ATOM 0 HG2 LYS A 13 59.747 -6.300 7.666 1.00 10.74 H new ATOM 0 HG3 LYS A 13 59.008 -7.638 6.809 1.00 10.74 H new ATOM 0 HD2 LYS A 13 61.097 -8.586 7.267 1.00 12.48 H new ATOM 0 HD3 LYS A 13 61.446 -7.868 5.707 1.00 12.48 H new ATOM 0 HE2 LYS A 13 62.339 -5.821 6.827 1.00 16.63 H new ATOM 0 HE3 LYS A 13 61.942 -6.490 8.397 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 64.266 -6.882 7.839 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 63.438 -8.360 7.947 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 63.822 -7.712 6.426 1.00 18.39 H new ATOM 184 N GLU A 14 58.055 -4.074 3.574 1.00 5.40 N ATOM 185 CA GLU A 14 58.097 -3.088 2.500 1.00 5.67 C ATOM 186 C GLU A 14 57.469 -1.775 2.955 1.00 6.21 C ATOM 187 O GLU A 14 58.026 -0.700 2.735 1.00 5.40 O ATOM 188 CB GLU A 14 57.349 -3.617 1.275 1.00 7.02 C ATOM 189 CG GLU A 14 58.036 -4.885 0.765 1.00 9.36 C ATOM 190 CD GLU A 14 59.241 -4.515 -0.094 1.00 16.81 C ATOM 191 OE1 GLU A 14 60.349 -4.825 0.311 1.00 18.47 O ATOM 192 OE2 GLU A 14 59.037 -3.928 -1.144 1.00 22.76 O ATOM 0 H GLU A 14 57.486 -4.896 3.375 1.00 5.40 H new ATOM 0 HA GLU A 14 59.139 -2.908 2.238 1.00 5.67 H new ATOM 0 HB2 GLU A 14 56.312 -3.832 1.534 1.00 7.02 H new ATOM 0 HB3 GLU A 14 57.332 -2.860 0.491 1.00 7.02 H new ATOM 0 HG2 GLU A 14 58.354 -5.500 1.607 1.00 9.36 H new ATOM 0 HG3 GLU A 14 57.333 -5.481 0.183 1.00 9.36 H new ATOM 199 N ALA A 15 56.306 -1.870 3.591 1.00 5.16 N ATOM 200 CA ALA A 15 55.610 -0.682 4.073 1.00 5.07 C ATOM 201 C ALA A 15 56.566 0.221 4.845 1.00 5.10 C ATOM 202 O ALA A 15 56.743 1.390 4.504 1.00 5.67 O ATOM 203 CB ALA A 15 54.446 -1.089 4.978 1.00 5.43 C ATOM 0 H ALA A 15 55.828 -2.750 3.784 1.00 5.16 H new ATOM 0 HA ALA A 15 55.225 -0.135 3.212 1.00 5.07 H new ATOM 0 HB1 ALA A 15 53.932 -0.196 5.333 1.00 5.43 H new ATOM 0 HB2 ALA A 15 53.748 -1.710 4.416 1.00 5.43 H new ATOM 0 HB3 ALA A 15 54.827 -1.652 5.830 1.00 5.43 H new ATOM 209 N PHE A 16 57.181 -0.330 5.887 1.00 4.72 N ATOM 210 CA PHE A 16 58.118 0.436 6.701 1.00 6.21 C ATOM 211 C PHE A 16 59.030 1.278 5.814 1.00 7.11 C ATOM 212 O PHE A 16 59.049 2.505 5.915 1.00 4.60 O ATOM 213 CB PHE A 16 58.964 -0.511 7.555 1.00 6.80 C ATOM 214 CG PHE A 16 59.039 0.014 8.970 1.00 5.05 C ATOM 215 CD1 PHE A 16 60.284 0.228 9.573 1.00 6.58 C ATOM 216 CD2 PHE A 16 57.862 0.285 9.678 1.00 10.31 C ATOM 217 CE1 PHE A 16 60.352 0.715 10.884 1.00 4.50 C ATOM 218 CE2 PHE A 16 57.930 0.772 10.989 1.00 10.06 C ATOM 219 CZ PHE A 16 59.175 0.986 11.592 1.00 13.28 C ATOM 0 H PHE A 16 57.049 -1.296 6.186 1.00 4.72 H new ATOM 0 HA PHE A 16 57.549 1.099 7.352 1.00 6.21 H new ATOM 0 HB2 PHE A 16 58.528 -1.510 7.550 1.00 6.80 H new ATOM 0 HB3 PHE A 16 59.966 -0.599 7.135 1.00 6.80 H new ATOM 0 HD1 PHE A 16 61.192 0.018 9.027 1.00 6.58 H new ATOM 0 HD2 PHE A 16 56.902 0.118 9.213 1.00 10.31 H new ATOM 0 HE1 PHE A 16 61.312 0.882 11.349 1.00 4.50 H new ATOM 0 HE2 PHE A 16 57.022 0.982 11.535 1.00 10.06 H new ATOM 0 HZ PHE A 16 59.228 1.360 12.604 1.00 13.28 H new ATOM 229 N SER A 17 59.783 0.611 4.945 1.00 6.98 N ATOM 230 CA SER A 17 60.691 1.311 4.045 1.00 7.97 C ATOM 231 C SER A 17 59.995 2.514 3.417 1.00 7.13 C ATOM 232 O SER A 17 60.647 3.450 2.955 1.00 8.83 O ATOM 233 CB SER A 17 61.169 0.363 2.944 1.00 10.21 C ATOM 234 OG SER A 17 60.092 0.093 2.057 1.00 12.16 O ATOM 0 H SER A 17 59.783 -0.404 4.845 1.00 6.98 H new ATOM 0 HA SER A 17 61.549 1.659 4.620 1.00 7.97 H new ATOM 0 HB2 SER A 17 62.001 0.810 2.399 1.00 10.21 H new ATOM 0 HB3 SER A 17 61.536 -0.565 3.382 1.00 10.21 H new ATOM 0 HG SER A 17 59.277 -0.079 2.574 1.00 12.16 H new ATOM 240 N LEU A 18 58.667 2.480 3.406 1.00 7.48 N ATOM 241 CA LEU A 18 57.889 3.573 2.835 1.00 9.00 C ATOM 242 C LEU A 18 58.045 4.835 3.677 1.00 7.93 C ATOM 243 O LEU A 18 58.268 5.923 3.147 1.00 6.26 O ATOM 244 CB LEU A 18 56.412 3.182 2.765 1.00 10.08 C ATOM 245 CG LEU A 18 55.697 4.071 1.746 1.00 14.78 C ATOM 246 CD1 LEU A 18 56.189 3.733 0.338 1.00 17.89 C ATOM 247 CD2 LEU A 18 54.188 3.828 1.829 1.00 15.78 C ATOM 0 H LEU A 18 58.110 1.713 3.783 1.00 7.48 H new ATOM 0 HA LEU A 18 58.258 3.772 1.829 1.00 9.00 H new ATOM 0 HB2 LEU A 18 56.315 2.134 2.481 1.00 10.08 H new ATOM 0 HB3 LEU A 18 55.949 3.290 3.746 1.00 10.08 H new ATOM 0 HG LEU A 18 55.911 5.117 1.964 1.00 14.78 H new ATOM 0 HD11 LEU A 18 55.679 4.367 -0.388 1.00 17.89 H new ATOM 0 HD12 LEU A 18 57.264 3.904 0.277 1.00 17.89 H new ATOM 0 HD13 LEU A 18 55.975 2.687 0.119 1.00 17.89 H new ATOM 0 HD21 LEU A 18 53.677 4.461 1.103 1.00 15.78 H new ATOM 0 HD22 LEU A 18 53.975 2.781 1.611 1.00 15.78 H new ATOM 0 HD23 LEU A 18 53.835 4.068 2.832 1.00 15.78 H new ATOM 259 N PHE A 19 57.927 4.680 4.992 1.00 6.61 N ATOM 260 CA PHE A 19 58.058 5.814 5.900 1.00 3.44 C ATOM 261 C PHE A 19 59.511 5.989 6.332 1.00 5.51 C ATOM 262 O PHE A 19 60.063 7.086 6.256 1.00 6.11 O ATOM 263 CB PHE A 19 57.179 5.600 7.133 1.00 4.01 C ATOM 264 CG PHE A 19 55.730 5.529 6.713 1.00 2.30 C ATOM 265 CD1 PHE A 19 54.948 6.690 6.698 1.00 6.71 C ATOM 266 CD2 PHE A 19 55.170 4.302 6.338 1.00 9.14 C ATOM 267 CE1 PHE A 19 53.605 6.624 6.308 1.00 6.83 C ATOM 268 CE2 PHE A 19 53.827 4.236 5.948 1.00 7.38 C ATOM 269 CZ PHE A 19 53.044 5.397 5.933 1.00 6.43 C ATOM 0 H PHE A 19 57.742 3.787 5.450 1.00 6.61 H new ATOM 0 HA PHE A 19 57.736 6.714 5.377 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.466 4.680 7.642 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.324 6.415 7.842 1.00 4.01 H new ATOM 0 HD1 PHE A 19 55.381 7.636 6.987 1.00 6.71 H new ATOM 0 HD2 PHE A 19 55.774 3.407 6.350 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.002 7.520 6.296 1.00 6.83 H new ATOM 0 HE2 PHE A 19 53.395 3.290 5.659 1.00 7.38 H new ATOM 0 HZ PHE A 19 52.008 5.346 5.632 1.00 6.43 H new ATOM 279 N ASP A 20 60.124 4.900 6.785 1.00 4.53 N ATOM 280 CA ASP A 20 61.513 4.945 7.227 1.00 5.06 C ATOM 281 C ASP A 20 62.449 5.102 6.033 1.00 5.41 C ATOM 282 O ASP A 20 63.197 4.185 5.694 1.00 7.47 O ATOM 283 CB ASP A 20 61.861 3.664 7.987 1.00 3.50 C ATOM 284 CG ASP A 20 62.992 3.935 8.974 1.00 5.29 C ATOM 285 OD1 ASP A 20 63.732 3.010 9.265 1.00 4.70 O ATOM 286 OD2 ASP A 20 63.101 5.064 9.424 1.00 4.96 O ATOM 0 H ASP A 20 59.685 3.982 6.855 1.00 4.53 H new ATOM 0 HA ASP A 20 61.638 5.803 7.887 1.00 5.06 H new ATOM 0 HB2 ASP A 20 60.983 3.297 8.519 1.00 3.50 H new ATOM 0 HB3 ASP A 20 62.158 2.884 7.286 1.00 3.50 H new ATOM 291 N LYS A 21 62.400 6.268 5.399 1.00 8.35 N ATOM 292 CA LYS A 21 63.247 6.535 4.243 1.00 9.30 C ATOM 293 C LYS A 21 64.721 6.462 4.627 1.00 10.49 C ATOM 294 O LYS A 21 65.588 6.298 3.768 1.00 12.20 O ATOM 295 CB LYS A 21 62.933 7.921 3.675 1.00 10.83 C ATOM 296 CG LYS A 21 62.874 7.846 2.148 1.00 18.65 C ATOM 297 CD LYS A 21 62.833 9.262 1.569 1.00 23.74 C ATOM 298 CE LYS A 21 62.403 9.201 0.102 1.00 21.90 C ATOM 299 NZ LYS A 21 61.914 10.542 -0.327 1.00 27.75 N ATOM 0 H LYS A 21 61.787 7.039 5.664 1.00 8.35 H new ATOM 0 HA LYS A 21 63.044 5.777 3.486 1.00 9.30 H new ATOM 0 HB2 LYS A 21 61.982 8.280 4.069 1.00 10.83 H new ATOM 0 HB3 LYS A 21 63.697 8.634 3.985 1.00 10.83 H new ATOM 0 HG2 LYS A 21 63.743 7.310 1.766 1.00 18.65 H new ATOM 0 HG3 LYS A 21 61.992 7.288 1.834 1.00 18.65 H new ATOM 0 HD2 LYS A 21 62.137 9.879 2.138 1.00 23.74 H new ATOM 0 HD3 LYS A 21 63.814 9.729 1.652 1.00 23.74 H new ATOM 0 HE2 LYS A 21 63.242 8.891 -0.522 1.00 21.90 H new ATOM 0 HE3 LYS A 21 61.617 8.457 -0.027 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 61.621 10.502 -1.324 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 61.103 10.820 0.261 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 62.676 11.241 -0.218 1.00 27.75 H new ATOM 313 N ASP A 22 64.999 6.586 5.920 1.00 10.35 N ATOM 314 CA ASP A 22 66.374 6.534 6.403 1.00 9.98 C ATOM 315 C ASP A 22 66.791 5.093 6.680 1.00 10.21 C ATOM 316 O ASP A 22 67.977 4.797 6.822 1.00 10.63 O ATOM 317 CB ASP A 22 66.511 7.362 7.681 1.00 11.16 C ATOM 318 CG ASP A 22 65.807 8.703 7.512 1.00 11.39 C ATOM 319 OD1 ASP A 22 65.855 9.497 8.437 1.00 8.03 O ATOM 320 OD2 ASP A 22 65.229 8.918 6.459 1.00 14.13 O ATOM 0 H ASP A 22 64.297 6.722 6.647 1.00 10.35 H new ATOM 0 HA ASP A 22 67.025 6.947 5.632 1.00 9.98 H new ATOM 0 HB2 ASP A 22 66.081 6.820 8.523 1.00 11.16 H new ATOM 0 HB3 ASP A 22 67.565 7.522 7.909 1.00 11.16 H new ATOM 325 N GLY A 23 65.809 4.201 6.758 1.00 8.93 N ATOM 326 CA GLY A 23 66.088 2.794 7.020 1.00 9.95 C ATOM 327 C GLY A 23 66.789 2.619 8.362 1.00 11.51 C ATOM 328 O GLY A 23 67.613 1.720 8.530 1.00 10.61 O ATOM 0 H GLY A 23 64.820 4.425 6.645 1.00 8.93 H new ATOM 0 HA2 GLY A 23 65.157 2.227 7.015 1.00 9.95 H new ATOM 0 HA3 GLY A 23 66.712 2.388 6.224 1.00 9.95 H new ATOM 332 N ASP A 24 66.458 3.484 9.315 1.00 11.42 N ATOM 333 CA ASP A 24 67.063 3.416 10.640 1.00 12.12 C ATOM 334 C ASP A 24 66.379 2.348 11.488 1.00 11.09 C ATOM 335 O ASP A 24 66.988 1.775 12.391 1.00 11.16 O ATOM 336 CB ASP A 24 66.951 4.773 11.336 1.00 12.48 C ATOM 337 CG ASP A 24 65.509 5.019 11.769 1.00 11.83 C ATOM 338 OD1 ASP A 24 64.617 4.658 11.020 1.00 10.91 O ATOM 339 OD2 ASP A 24 65.320 5.565 12.843 1.00 14.28 O ATOM 0 H ASP A 24 65.779 4.236 9.196 1.00 11.42 H new ATOM 0 HA ASP A 24 68.115 3.153 10.525 1.00 12.12 H new ATOM 0 HB2 ASP A 24 67.610 4.802 12.204 1.00 12.48 H new ATOM 0 HB3 ASP A 24 67.277 5.565 10.662 1.00 12.48 H new ATOM 344 N GLY A 25 65.110 2.087 11.191 1.00 9.38 N ATOM 345 CA GLY A 25 64.353 1.086 11.934 1.00 9.47 C ATOM 346 C GLY A 25 63.365 1.749 12.888 1.00 7.97 C ATOM 347 O GLY A 25 62.707 1.076 13.681 1.00 6.95 O ATOM 0 H GLY A 25 64.588 2.550 10.447 1.00 9.38 H new ATOM 0 HA2 GLY A 25 63.816 0.440 11.239 1.00 9.47 H new ATOM 0 HA3 GLY A 25 65.037 0.450 12.496 1.00 9.47 H new ATOM 351 N THR A 26 63.267 3.071 12.805 1.00 7.17 N ATOM 352 CA THR A 26 62.356 3.815 13.667 1.00 8.21 C ATOM 353 C THR A 26 61.839 5.060 12.953 1.00 8.10 C ATOM 354 O THR A 26 62.599 5.771 12.296 1.00 7.63 O ATOM 355 CB THR A 26 63.072 4.224 14.956 1.00 11.49 C ATOM 356 OG1 THR A 26 63.726 5.470 14.757 1.00 16.41 O ATOM 357 CG2 THR A 26 64.103 3.158 15.330 1.00 11.35 C ATOM 0 H THR A 26 63.803 3.646 12.155 1.00 7.17 H new ATOM 0 HA THR A 26 61.510 3.172 13.910 1.00 8.21 H new ATOM 0 HB THR A 26 62.344 4.320 15.762 1.00 11.49 H new ATOM 0 HG1 THR A 26 63.925 5.587 13.805 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.612 3.451 16.248 1.00 11.35 H new ATOM 0 HG22 THR A 26 63.600 2.203 15.482 1.00 11.35 H new ATOM 0 HG23 THR A 26 64.833 3.060 14.526 1.00 11.35 H new ATOM 365 N ILE A 27 60.542 5.316 13.085 1.00 6.76 N ATOM 366 CA ILE A 27 59.934 6.478 12.448 1.00 3.01 C ATOM 367 C ILE A 27 59.492 7.495 13.496 1.00 4.61 C ATOM 368 O ILE A 27 58.952 7.130 14.539 1.00 4.59 O ATOM 369 CB ILE A 27 58.727 6.045 11.614 1.00 4.15 C ATOM 370 CG1 ILE A 27 59.129 4.883 10.702 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.248 7.220 10.759 1.00 6.87 C ATOM 372 CD1 ILE A 27 57.878 4.114 10.274 1.00 5.23 C ATOM 0 H ILE A 27 59.896 4.739 13.623 1.00 6.76 H new ATOM 0 HA ILE A 27 60.677 6.942 11.799 1.00 3.01 H new ATOM 0 HB ILE A 27 57.923 5.727 12.277 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.655 5.260 9.825 1.00 8.03 H new ATOM 0 HG13 ILE A 27 59.817 4.218 11.224 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.388 6.911 10.165 1.00 6.87 H new ATOM 0 HG22 ILE A 27 57.963 8.049 11.407 1.00 6.87 H new ATOM 0 HG23 ILE A 27 59.052 7.539 10.095 1.00 6.87 H new ATOM 0 HD11 ILE A 27 58.164 3.287 9.625 1.00 5.23 H new ATOM 0 HD12 ILE A 27 57.371 3.724 11.157 1.00 5.23 H new ATOM 0 HD13 ILE A 27 57.206 4.783 9.735 1.00 5.23 H new ATOM 384 N THR A 28 59.727 8.771 13.210 1.00 5.54 N ATOM 385 CA THR A 28 59.350 9.833 14.137 1.00 5.59 C ATOM 386 C THR A 28 58.207 10.664 13.562 1.00 4.18 C ATOM 387 O THR A 28 57.793 10.462 12.420 1.00 3.04 O ATOM 388 CB THR A 28 60.553 10.737 14.413 1.00 7.09 C ATOM 389 OG1 THR A 28 61.115 11.165 13.181 1.00 7.62 O ATOM 390 CG2 THR A 28 61.602 9.963 15.214 1.00 7.80 C ATOM 0 H THR A 28 60.173 9.094 12.351 1.00 5.54 H new ATOM 0 HA THR A 28 59.019 9.376 15.069 1.00 5.59 H new ATOM 0 HB THR A 28 60.231 11.606 14.986 1.00 7.09 H new ATOM 0 HG1 THR A 28 62.036 11.464 13.328 1.00 7.62 H new ATOM 0 HG21 THR A 28 62.459 10.608 15.410 1.00 7.80 H new ATOM 0 HG22 THR A 28 61.170 9.636 16.160 1.00 7.80 H new ATOM 0 HG23 THR A 28 61.926 9.093 14.643 1.00 7.80 H new ATOM 398 N THR A 29 57.703 11.599 14.360 1.00 6.48 N ATOM 399 CA THR A 29 56.608 12.456 13.919 1.00 6.08 C ATOM 400 C THR A 29 57.108 13.493 12.919 1.00 6.97 C ATOM 401 O THR A 29 56.371 13.918 12.030 1.00 10.04 O ATOM 402 CB THR A 29 55.982 13.164 15.123 1.00 8.08 C ATOM 403 OG1 THR A 29 56.094 12.333 16.270 1.00 8.72 O ATOM 404 CG2 THR A 29 54.507 13.450 14.839 1.00 6.60 C ATOM 0 H THR A 29 58.032 11.782 15.308 1.00 6.48 H new ATOM 0 HA THR A 29 55.857 11.833 13.433 1.00 6.08 H new ATOM 0 HB THR A 29 56.503 14.104 15.303 1.00 8.08 H new ATOM 0 HG1 THR A 29 55.695 12.786 17.042 1.00 8.72 H new ATOM 0 HG21 THR A 29 54.062 13.954 15.697 1.00 6.60 H new ATOM 0 HG22 THR A 29 54.423 14.088 13.959 1.00 6.60 H new ATOM 0 HG23 THR A 29 53.983 12.512 14.658 1.00 6.60 H new ATOM 412 N LYS A 30 58.365 13.896 13.071 1.00 6.44 N ATOM 413 CA LYS A 30 58.954 14.884 12.175 1.00 5.32 C ATOM 414 C LYS A 30 59.128 14.302 10.776 1.00 5.11 C ATOM 415 O LYS A 30 59.015 15.014 9.778 1.00 2.00 O ATOM 416 CB LYS A 30 60.312 15.337 12.714 1.00 6.94 C ATOM 417 CG LYS A 30 61.220 14.119 12.899 1.00 11.76 C ATOM 418 CD LYS A 30 62.409 14.498 13.784 1.00 16.32 C ATOM 419 CE LYS A 30 63.702 13.981 13.151 1.00 16.38 C ATOM 420 NZ LYS A 30 64.801 14.027 14.157 1.00 12.63 N ATOM 0 H LYS A 30 58.992 13.557 13.801 1.00 6.44 H new ATOM 0 HA LYS A 30 58.283 15.741 12.119 1.00 5.32 H new ATOM 0 HB2 LYS A 30 60.771 16.045 12.024 1.00 6.94 H new ATOM 0 HB3 LYS A 30 60.183 15.856 13.664 1.00 6.94 H new ATOM 0 HG2 LYS A 30 60.661 13.301 13.354 1.00 11.76 H new ATOM 0 HG3 LYS A 30 61.572 13.765 11.930 1.00 11.76 H new ATOM 0 HD2 LYS A 30 62.457 15.580 13.902 1.00 16.32 H new ATOM 0 HD3 LYS A 30 62.284 14.074 14.780 1.00 16.32 H new ATOM 0 HE2 LYS A 30 63.563 12.960 12.796 1.00 16.38 H new ATOM 0 HE3 LYS A 30 63.963 14.588 12.284 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 65.680 13.676 13.727 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 64.939 15.007 14.476 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 64.551 13.430 14.971 1.00 12.63 H new ATOM 434 N GLU A 31 59.403 13.004 10.710 1.00 2.00 N ATOM 435 CA GLU A 31 59.590 12.336 9.427 1.00 2.98 C ATOM 436 C GLU A 31 58.247 11.901 8.852 1.00 4.00 C ATOM 437 O GLU A 31 58.063 11.865 7.635 1.00 4.67 O ATOM 438 CB GLU A 31 60.494 11.115 9.600 1.00 2.67 C ATOM 439 CG GLU A 31 61.958 11.541 9.476 1.00 3.70 C ATOM 440 CD GLU A 31 62.854 10.552 10.215 1.00 3.21 C ATOM 441 OE1 GLU A 31 62.446 9.412 10.364 1.00 5.59 O ATOM 442 OE2 GLU A 31 63.934 10.950 10.620 1.00 4.09 O ATOM 0 H GLU A 31 59.501 12.397 11.524 1.00 2.00 H new ATOM 0 HA GLU A 31 60.059 13.038 8.737 1.00 2.98 H new ATOM 0 HB2 GLU A 31 60.319 10.655 10.573 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.258 10.365 8.846 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.244 11.588 8.425 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.090 12.542 9.887 1.00 3.70 H new ATOM 449 N LEU A 32 57.311 11.571 9.735 1.00 5.61 N ATOM 450 CA LEU A 32 55.986 11.139 9.307 1.00 5.49 C ATOM 451 C LEU A 32 55.191 12.319 8.757 1.00 6.12 C ATOM 452 O LEU A 32 54.342 12.154 7.882 1.00 5.57 O ATOM 453 CB LEU A 32 55.234 10.518 10.485 1.00 5.85 C ATOM 454 CG LEU A 32 53.813 10.155 10.052 1.00 7.72 C ATOM 455 CD1 LEU A 32 53.869 9.094 8.952 1.00 6.45 C ATOM 456 CD2 LEU A 32 53.042 9.604 11.253 1.00 7.63 C ATOM 0 H LEU A 32 57.444 11.594 10.746 1.00 5.61 H new ATOM 0 HA LEU A 32 56.103 10.395 8.519 1.00 5.49 H new ATOM 0 HB2 LEU A 32 55.757 9.628 10.835 1.00 5.85 H new ATOM 0 HB3 LEU A 32 55.203 11.218 11.320 1.00 5.85 H new ATOM 0 HG LEU A 32 53.310 11.044 9.672 1.00 7.72 H new ATOM 0 HD11 LEU A 32 52.856 8.836 8.644 1.00 6.45 H new ATOM 0 HD12 LEU A 32 54.420 9.485 8.097 1.00 6.45 H new ATOM 0 HD13 LEU A 32 54.371 8.204 9.330 1.00 6.45 H new ATOM 0 HD21 LEU A 32 52.029 9.344 10.947 1.00 7.63 H new ATOM 0 HD22 LEU A 32 53.546 8.715 11.632 1.00 7.63 H new ATOM 0 HD23 LEU A 32 53.002 10.360 12.037 1.00 7.63 H new ATOM 468 N GLY A 33 55.474 13.509 9.277 1.00 6.93 N ATOM 469 CA GLY A 33 54.780 14.711 8.830 1.00 4.91 C ATOM 470 C GLY A 33 55.134 15.036 7.383 1.00 6.07 C ATOM 471 O GLY A 33 54.254 15.288 6.560 1.00 6.12 O ATOM 0 H GLY A 33 56.173 13.666 10.003 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.703 14.570 8.922 1.00 4.91 H new ATOM 0 HA3 GLY A 33 55.048 15.550 9.472 1.00 4.91 H new ATOM 475 N THR A 34 56.428 15.030 7.080 1.00 6.25 N ATOM 476 CA THR A 34 56.887 15.325 5.728 1.00 6.89 C ATOM 477 C THR A 34 56.181 14.428 4.717 1.00 5.87 C ATOM 478 O THR A 34 55.922 14.836 3.585 1.00 4.67 O ATOM 479 CB THR A 34 58.400 15.115 5.632 1.00 7.13 C ATOM 480 OG1 THR A 34 59.038 15.779 6.714 1.00 8.73 O ATOM 481 CG2 THR A 34 58.913 15.684 4.308 1.00 9.63 C ATOM 0 H THR A 34 57.172 14.826 7.747 1.00 6.25 H new ATOM 0 HA THR A 34 56.651 16.365 5.502 1.00 6.89 H new ATOM 0 HB THR A 34 58.623 14.049 5.677 1.00 7.13 H new ATOM 0 HG1 THR A 34 60.007 15.644 6.655 1.00 8.73 H new ATOM 0 HG21 THR A 34 59.991 15.534 4.241 1.00 9.63 H new ATOM 0 HG22 THR A 34 58.423 15.174 3.479 1.00 9.63 H new ATOM 0 HG23 THR A 34 58.691 16.750 4.260 1.00 9.63 H new ATOM 489 N VAL A 35 55.873 13.204 5.133 1.00 4.87 N ATOM 490 CA VAL A 35 55.196 12.257 4.255 1.00 5.50 C ATOM 491 C VAL A 35 53.834 12.798 3.833 1.00 6.36 C ATOM 492 O VAL A 35 53.519 12.853 2.644 1.00 6.78 O ATOM 493 CB VAL A 35 55.016 10.917 4.972 1.00 7.07 C ATOM 494 CG1 VAL A 35 54.041 10.042 4.182 1.00 6.42 C ATOM 495 CG2 VAL A 35 56.369 10.209 5.073 1.00 4.61 C ATOM 0 H VAL A 35 56.080 12.846 6.066 1.00 4.87 H new ATOM 0 HA VAL A 35 55.809 12.113 3.365 1.00 5.50 H new ATOM 0 HB VAL A 35 54.619 11.090 5.972 1.00 7.07 H new ATOM 0 HG11 VAL A 35 53.913 9.088 4.693 1.00 6.42 H new ATOM 0 HG12 VAL A 35 53.077 10.546 4.108 1.00 6.42 H new ATOM 0 HG13 VAL A 35 54.437 9.868 3.182 1.00 6.42 H new ATOM 0 HG21 VAL A 35 56.243 9.254 5.584 1.00 4.61 H new ATOM 0 HG22 VAL A 35 56.765 10.036 4.072 1.00 4.61 H new ATOM 0 HG23 VAL A 35 57.065 10.832 5.635 1.00 4.61 H new ATOM 505 N MET A 36 53.031 13.196 4.815 0.50 5.82 N ATOM 506 CA MET A 36 51.705 13.732 4.532 0.50 6.35 C ATOM 507 C MET A 36 51.810 15.006 3.699 0.50 5.77 C ATOM 508 O MET A 36 50.952 15.284 2.862 0.50 6.52 O ATOM 509 CB MET A 36 50.973 14.034 5.841 0.50 6.47 C ATOM 510 CG MET A 36 49.955 12.929 6.124 0.50 7.91 C ATOM 511 SD MET A 36 50.817 11.349 6.318 0.50 9.11 S ATOM 512 CE MET A 36 49.848 10.732 7.717 0.50 10.12 C ATOM 0 H MET A 36 53.273 13.158 5.805 0.50 5.82 H new ATOM 0 HA MET A 36 51.145 12.987 3.967 0.50 6.35 H new ATOM 0 HB2 MET A 36 51.687 14.104 6.661 0.50 6.47 H new ATOM 0 HB3 MET A 36 50.469 14.998 5.774 0.50 6.47 H new ATOM 0 HG2 MET A 36 49.392 13.162 7.028 0.50 7.91 H new ATOM 0 HG3 MET A 36 49.235 12.865 5.308 0.50 7.91 H new ATOM 0 HE1 MET A 36 50.216 9.748 8.009 0.50 10.12 H new ATOM 0 HE2 MET A 36 49.944 11.419 8.557 0.50 10.12 H new ATOM 0 HE3 MET A 36 48.800 10.656 7.428 0.50 10.12 H new ATOM 522 N ARG A 37 52.867 15.775 3.936 1.00 5.54 N ATOM 523 CA ARG A 37 53.075 17.018 3.200 1.00 5.23 C ATOM 524 C ARG A 37 53.174 16.743 1.704 1.00 5.57 C ATOM 525 O ARG A 37 52.921 17.624 0.882 1.00 5.64 O ATOM 526 CB ARG A 37 54.356 17.702 3.682 1.00 5.44 C ATOM 527 CG ARG A 37 54.271 19.203 3.398 1.00 9.87 C ATOM 528 CD ARG A 37 55.400 19.926 4.134 1.00 7.40 C ATOM 529 NE ARG A 37 56.695 19.467 3.647 1.00 5.71 N ATOM 530 CZ ARG A 37 57.076 19.691 2.393 1.00 5.49 C ATOM 531 NH1 ARG A 37 58.240 19.270 1.980 1.00 4.77 N ATOM 532 NH2 ARG A 37 56.286 20.330 1.575 1.00 5.93 N ATOM 0 H ARG A 37 53.588 15.563 4.626 1.00 5.54 H new ATOM 0 HA ARG A 37 52.224 17.674 3.382 1.00 5.23 H new ATOM 0 HB2 ARG A 37 54.493 17.530 4.750 1.00 5.44 H new ATOM 0 HB3 ARG A 37 55.222 17.274 3.177 1.00 5.44 H new ATOM 0 HG2 ARG A 37 54.346 19.386 2.326 1.00 9.87 H new ATOM 0 HG3 ARG A 37 53.305 19.591 3.721 1.00 9.87 H new ATOM 0 HD2 ARG A 37 55.309 21.002 3.987 1.00 7.40 H new ATOM 0 HD3 ARG A 37 55.321 19.743 5.206 1.00 7.40 H new ATOM 0 HE ARG A 37 57.319 18.966 4.279 1.00 5.71 H new ATOM 0 HH11 ARG A 37 58.857 18.769 2.619 1.00 4.77 H new ATOM 0 HH12 ARG A 37 58.533 19.442 1.018 1.00 4.77 H new ATOM 0 HH21 ARG A 37 55.376 20.658 1.897 1.00 5.93 H new ATOM 0 HH22 ARG A 37 56.579 20.502 0.613 1.00 5.93 H new ATOM 546 N SER A 38 53.542 15.514 1.356 1.00 5.82 N ATOM 547 CA SER A 38 53.670 15.132 -0.045 1.00 6.44 C ATOM 548 C SER A 38 52.311 14.742 -0.618 1.00 7.83 C ATOM 549 O SER A 38 52.109 14.764 -1.832 1.00 7.95 O ATOM 550 CB SER A 38 54.639 13.958 -0.181 1.00 5.05 C ATOM 551 OG SER A 38 55.908 14.335 0.338 1.00 8.15 O ATOM 0 H SER A 38 53.756 14.770 2.020 1.00 5.82 H new ATOM 0 HA SER A 38 54.056 15.986 -0.602 1.00 6.44 H new ATOM 0 HB2 SER A 38 54.256 13.091 0.357 1.00 5.05 H new ATOM 0 HB3 SER A 38 54.733 13.668 -1.228 1.00 5.05 H new ATOM 0 HG SER A 38 55.850 14.422 1.312 1.00 8.15 H new ATOM 557 N LEU A 39 51.383 14.387 0.264 1.00 7.89 N ATOM 558 CA LEU A 39 50.046 13.995 -0.163 1.00 8.71 C ATOM 559 C LEU A 39 49.115 15.204 -0.182 1.00 8.85 C ATOM 560 O LEU A 39 47.894 15.059 -0.242 1.00 8.85 O ATOM 561 CB LEU A 39 49.485 12.932 0.784 1.00 9.15 C ATOM 562 CG LEU A 39 50.475 11.771 0.891 1.00 8.10 C ATOM 563 CD1 LEU A 39 50.040 10.831 2.017 1.00 10.10 C ATOM 564 CD2 LEU A 39 50.503 11.002 -0.431 1.00 12.78 C ATOM 0 H LEU A 39 51.531 14.363 1.273 1.00 7.89 H new ATOM 0 HA LEU A 39 50.112 13.584 -1.171 1.00 8.71 H new ATOM 0 HB2 LEU A 39 49.307 13.364 1.769 1.00 9.15 H new ATOM 0 HB3 LEU A 39 48.524 12.572 0.416 1.00 9.15 H new ATOM 0 HG LEU A 39 51.470 12.161 1.107 1.00 8.10 H new ATOM 0 HD11 LEU A 39 50.746 10.004 2.093 1.00 10.10 H new ATOM 0 HD12 LEU A 39 50.019 11.378 2.960 1.00 10.10 H new ATOM 0 HD13 LEU A 39 49.045 10.441 1.801 1.00 10.10 H new ATOM 0 HD21 LEU A 39 51.208 10.174 -0.356 1.00 12.78 H new ATOM 0 HD22 LEU A 39 49.508 10.612 -0.646 1.00 12.78 H new ATOM 0 HD23 LEU A 39 50.813 11.671 -1.234 1.00 12.78 H new ATOM 576 N GLY A 40 49.702 16.395 -0.131 1.00 9.60 N ATOM 577 CA GLY A 40 48.916 17.624 -0.143 1.00 8.71 C ATOM 578 C GLY A 40 48.112 17.769 1.144 1.00 8.84 C ATOM 579 O GLY A 40 47.065 18.416 1.164 1.00 8.80 O ATOM 0 H GLY A 40 50.711 16.536 -0.081 1.00 9.60 H new ATOM 0 HA2 GLY A 40 49.578 18.482 -0.262 1.00 8.71 H new ATOM 0 HA3 GLY A 40 48.242 17.621 -0.999 1.00 8.71 H new ATOM 583 N GLN A 41 48.609 17.163 2.217 1.00 9.43 N ATOM 584 CA GLN A 41 47.928 17.231 3.505 1.00 9.39 C ATOM 585 C GLN A 41 48.643 18.202 4.439 1.00 9.13 C ATOM 586 O GLN A 41 49.858 18.384 4.350 1.00 9.37 O ATOM 587 CB GLN A 41 47.883 15.842 4.146 1.00 9.54 C ATOM 588 CG GLN A 41 47.122 14.881 3.230 1.00 14.07 C ATOM 589 CD GLN A 41 45.760 15.467 2.877 1.00 18.80 C ATOM 590 OE1 GLN A 41 45.132 16.125 3.707 1.00 20.35 O ATOM 591 NE2 GLN A 41 45.262 15.267 1.688 1.00 17.18 N ATOM 0 H GLN A 41 49.474 16.623 2.221 1.00 9.43 H new ATOM 0 HA GLN A 41 46.911 17.587 3.339 1.00 9.39 H new ATOM 0 HB2 GLN A 41 48.895 15.475 4.315 1.00 9.54 H new ATOM 0 HB3 GLN A 41 47.396 15.895 5.120 1.00 9.54 H new ATOM 0 HG2 GLN A 41 47.696 14.700 2.321 1.00 14.07 H new ATOM 0 HG3 GLN A 41 46.996 13.918 3.724 1.00 14.07 H new ATOM 0 HE21 GLN A 41 45.784 14.722 1.002 1.00 17.18 H new ATOM 0 HE22 GLN A 41 44.351 15.656 1.445 1.00 17.18 H new ATOM 600 N ASN A 42 47.882 18.822 5.334 0.50 9.56 N ATOM 601 CA ASN A 42 48.453 19.773 6.281 0.50 9.39 C ATOM 602 C ASN A 42 47.891 19.539 7.680 0.50 9.08 C ATOM 603 O ASN A 42 46.983 20.243 8.121 0.50 10.22 O ATOM 604 CB ASN A 42 48.139 21.203 5.837 0.50 9.34 C ATOM 605 CG ASN A 42 49.122 22.176 6.480 0.50 8.10 C ATOM 606 OD1 ASN A 42 49.148 22.317 7.703 0.50 6.34 O ATOM 607 ND2 ASN A 42 49.937 22.861 5.725 0.50 6.21 N ATOM 0 H ASN A 42 46.875 18.685 5.424 0.50 9.56 H new ATOM 0 HA ASN A 42 49.533 19.628 6.306 0.50 9.39 H new ATOM 0 HB2 ASN A 42 48.199 21.277 4.751 0.50 9.34 H new ATOM 0 HB3 ASN A 42 47.119 21.464 6.119 0.50 9.34 H new ATOM 0 HD21 ASN A 42 50.597 23.514 6.148 0.50 6.21 H new ATOM 0 HD22 ASN A 42 49.914 22.743 4.712 0.50 6.21 H new ATOM 614 N PRO A 43 48.413 18.565 8.376 1.00 8.50 N ATOM 615 CA PRO A 43 47.959 18.224 9.752 1.00 6.21 C ATOM 616 C PRO A 43 48.517 19.187 10.798 1.00 4.45 C ATOM 617 O PRO A 43 49.564 19.801 10.595 1.00 7.13 O ATOM 618 CB PRO A 43 48.499 16.811 9.966 1.00 6.33 C ATOM 619 CG PRO A 43 49.704 16.707 9.089 1.00 8.63 C ATOM 620 CD PRO A 43 49.497 17.679 7.923 1.00 8.24 C ATOM 0 HA PRO A 43 46.876 18.293 9.857 1.00 6.21 H new ATOM 0 HB2 PRO A 43 48.759 16.644 11.011 1.00 6.33 H new ATOM 0 HB3 PRO A 43 47.754 16.062 9.699 1.00 6.33 H new ATOM 0 HG2 PRO A 43 50.608 16.958 9.644 1.00 8.63 H new ATOM 0 HG3 PRO A 43 49.828 15.688 8.724 1.00 8.63 H new ATOM 0 HD2 PRO A 43 50.406 18.241 7.707 1.00 8.24 H new ATOM 0 HD3 PRO A 43 49.224 17.151 7.009 1.00 8.24 H new ATOM 628 N THR A 44 47.810 19.311 11.916 1.00 4.83 N ATOM 629 CA THR A 44 48.242 20.201 12.988 1.00 3.51 C ATOM 630 C THR A 44 49.235 19.493 13.904 1.00 2.59 C ATOM 631 O THR A 44 49.271 18.264 13.964 1.00 2.00 O ATOM 632 CB THR A 44 47.033 20.664 13.803 1.00 3.90 C ATOM 633 OG1 THR A 44 46.690 19.662 14.749 1.00 3.35 O ATOM 634 CG2 THR A 44 45.849 20.911 12.867 1.00 3.21 C ATOM 0 H THR A 44 46.941 18.810 12.103 1.00 4.83 H new ATOM 0 HA THR A 44 48.731 21.067 12.541 1.00 3.51 H new ATOM 0 HB THR A 44 47.279 21.588 14.325 1.00 3.90 H new ATOM 0 HG1 THR A 44 45.917 19.958 15.273 1.00 3.35 H new ATOM 0 HG21 THR A 44 44.988 21.241 13.449 1.00 3.21 H new ATOM 0 HG22 THR A 44 46.113 21.680 12.141 1.00 3.21 H new ATOM 0 HG23 THR A 44 45.601 19.988 12.343 1.00 3.21 H new ATOM 642 N GLU A 45 50.039 20.276 14.616 1.00 2.00 N ATOM 643 CA GLU A 45 51.028 19.712 15.527 1.00 3.60 C ATOM 644 C GLU A 45 50.359 18.790 16.540 1.00 4.17 C ATOM 645 O GLU A 45 51.003 17.912 17.115 1.00 5.52 O ATOM 646 CB GLU A 45 51.761 20.836 16.262 1.00 4.15 C ATOM 647 CG GLU A 45 52.148 21.931 15.267 1.00 7.46 C ATOM 648 CD GLU A 45 53.515 22.504 15.626 1.00 7.32 C ATOM 649 OE1 GLU A 45 54.258 22.827 14.714 1.00 16.78 O ATOM 650 OE2 GLU A 45 53.798 22.611 16.808 1.00 13.96 O ATOM 0 H GLU A 45 50.026 21.295 14.580 1.00 2.00 H new ATOM 0 HA GLU A 45 51.744 19.133 14.944 1.00 3.60 H new ATOM 0 HB2 GLU A 45 51.124 21.249 17.044 1.00 4.15 H new ATOM 0 HB3 GLU A 45 52.652 20.444 16.752 1.00 4.15 H new ATOM 0 HG2 GLU A 45 52.169 21.524 14.256 1.00 7.46 H new ATOM 0 HG3 GLU A 45 51.399 22.723 15.276 1.00 7.46 H new ATOM 657 N ALA A 46 49.064 18.995 16.754 1.00 4.80 N ATOM 658 CA ALA A 46 48.317 18.175 17.702 1.00 3.98 C ATOM 659 C ALA A 46 47.859 16.878 17.043 1.00 2.82 C ATOM 660 O ALA A 46 47.660 15.865 17.715 1.00 4.64 O ATOM 661 CB ALA A 46 47.100 18.946 18.215 1.00 3.36 C ATOM 0 H ALA A 46 48.513 19.716 16.288 1.00 4.80 H new ATOM 0 HA ALA A 46 48.972 17.933 18.539 1.00 3.98 H new ATOM 0 HB1 ALA A 46 46.548 18.326 18.922 1.00 3.36 H new ATOM 0 HB2 ALA A 46 47.430 19.858 18.712 1.00 3.36 H new ATOM 0 HB3 ALA A 46 46.453 19.204 17.377 1.00 3.36 H new ATOM 667 N GLU A 47 47.694 16.915 15.725 0.50 3.25 N ATOM 668 CA GLU A 47 47.258 15.736 14.985 0.50 4.03 C ATOM 669 C GLU A 47 48.412 14.753 14.817 0.50 2.00 C ATOM 670 O GLU A 47 48.344 13.615 15.282 0.50 2.21 O ATOM 671 CB GLU A 47 46.731 16.148 13.609 0.50 3.18 C ATOM 672 CG GLU A 47 46.390 14.897 12.798 0.50 2.62 C ATOM 673 CD GLU A 47 45.553 15.277 11.581 0.50 5.31 C ATOM 674 OE1 GLU A 47 45.683 14.612 10.566 0.50 6.18 O ATOM 675 OE2 GLU A 47 44.795 16.227 11.681 0.50 2.00 O ATOM 0 H GLU A 47 47.854 17.742 15.150 0.50 3.25 H new ATOM 0 HA GLU A 47 46.461 15.251 15.548 0.50 4.03 H new ATOM 0 HB2 GLU A 47 45.846 16.775 13.719 0.50 3.18 H new ATOM 0 HB3 GLU A 47 47.479 16.742 13.084 0.50 3.18 H new ATOM 0 HG2 GLU A 47 47.306 14.400 12.479 0.50 2.62 H new ATOM 0 HG3 GLU A 47 45.842 14.189 13.420 0.50 2.62 H new ATOM 682 N LEU A 48 49.471 15.199 14.149 1.00 2.12 N ATOM 683 CA LEU A 48 50.635 14.350 13.926 1.00 2.61 C ATOM 684 C LEU A 48 51.165 13.809 15.249 1.00 3.92 C ATOM 685 O LEU A 48 51.305 12.599 15.425 1.00 2.59 O ATOM 686 CB LEU A 48 51.734 15.146 13.220 1.00 5.42 C ATOM 687 CG LEU A 48 52.371 14.282 12.131 1.00 4.58 C ATOM 688 CD1 LEU A 48 51.363 14.054 11.004 1.00 6.65 C ATOM 689 CD2 LEU A 48 53.605 14.995 11.573 1.00 5.37 C ATOM 0 H LEU A 48 49.547 16.137 13.755 1.00 2.12 H new ATOM 0 HA LEU A 48 50.335 13.511 13.298 1.00 2.61 H new ATOM 0 HB2 LEU A 48 51.317 16.053 12.782 1.00 5.42 H new ATOM 0 HB3 LEU A 48 52.491 15.459 13.940 1.00 5.42 H new ATOM 0 HG LEU A 48 52.665 13.322 12.555 1.00 4.58 H new ATOM 0 HD11 LEU A 48 51.818 13.438 10.228 1.00 6.65 H new ATOM 0 HD12 LEU A 48 50.483 13.547 11.400 1.00 6.65 H new ATOM 0 HD13 LEU A 48 51.069 15.014 10.579 1.00 6.65 H new ATOM 0 HD21 LEU A 48 54.060 14.380 10.797 1.00 5.37 H new ATOM 0 HD22 LEU A 48 53.310 15.955 11.149 1.00 5.37 H new ATOM 0 HD23 LEU A 48 54.325 15.158 12.375 1.00 5.37 H new ATOM 701 N GLN A 49 51.458 14.714 16.177 1.00 4.04 N ATOM 702 CA GLN A 49 51.972 14.316 17.483 1.00 6.32 C ATOM 703 C GLN A 49 51.090 13.233 18.096 1.00 4.43 C ATOM 704 O GLN A 49 51.579 12.182 18.511 1.00 6.21 O ATOM 705 CB GLN A 49 52.021 15.527 18.417 1.00 5.48 C ATOM 706 CG GLN A 49 52.376 15.067 19.832 1.00 4.72 C ATOM 707 CD GLN A 49 52.968 16.228 20.624 1.00 3.92 C ATOM 708 OE1 GLN A 49 52.236 16.968 21.282 1.00 7.05 O ATOM 709 NE2 GLN A 49 54.256 16.432 20.601 1.00 2.12 N ATOM 0 H GLN A 49 51.350 15.720 16.051 1.00 4.04 H new ATOM 0 HA GLN A 49 52.979 13.919 17.352 1.00 6.32 H new ATOM 0 HB2 GLN A 49 52.760 16.245 18.061 1.00 5.48 H new ATOM 0 HB3 GLN A 49 51.057 16.036 18.420 1.00 5.48 H new ATOM 0 HG2 GLN A 49 51.486 14.689 20.335 1.00 4.72 H new ATOM 0 HG3 GLN A 49 53.090 14.245 19.788 1.00 4.72 H new ATOM 0 HE21 GLN A 49 54.860 15.817 20.055 1.00 2.12 H new ATOM 0 HE22 GLN A 49 54.659 17.206 21.129 1.00 2.12 H new ATOM 718 N ASP A 50 49.789 13.497 18.149 1.00 3.85 N ATOM 719 CA ASP A 50 48.847 12.536 18.712 1.00 5.51 C ATOM 720 C ASP A 50 48.723 11.316 17.805 1.00 4.73 C ATOM 721 O ASP A 50 48.238 10.265 18.225 1.00 3.05 O ATOM 722 CB ASP A 50 47.475 13.189 18.886 1.00 6.72 C ATOM 723 CG ASP A 50 46.451 12.144 19.315 1.00 3.36 C ATOM 724 OD1 ASP A 50 46.080 11.331 18.484 1.00 2.00 O ATOM 725 OD2 ASP A 50 46.052 12.171 20.467 1.00 3.77 O ATOM 0 H ASP A 50 49.365 14.361 17.812 1.00 3.85 H new ATOM 0 HA ASP A 50 49.220 12.215 19.685 1.00 5.51 H new ATOM 0 HB2 ASP A 50 47.532 13.982 19.632 1.00 6.72 H new ATOM 0 HB3 ASP A 50 47.163 13.654 17.951 1.00 6.72 H new ATOM 730 N MET A 51 49.164 11.465 16.561 1.00 4.95 N ATOM 731 CA MET A 51 49.098 10.368 15.601 1.00 5.39 C ATOM 732 C MET A 51 50.145 9.308 15.928 1.00 5.93 C ATOM 733 O MET A 51 49.857 8.111 15.908 1.00 8.69 O ATOM 734 CB MET A 51 49.331 10.898 14.185 1.00 6.81 C ATOM 735 CG MET A 51 48.889 9.846 13.167 1.00 6.35 C ATOM 736 SD MET A 51 47.338 10.369 12.394 1.00 10.13 S ATOM 737 CE MET A 51 47.116 8.923 11.329 1.00 13.60 C ATOM 0 H MET A 51 49.568 12.327 16.195 1.00 4.95 H new ATOM 0 HA MET A 51 48.108 9.916 15.661 1.00 5.39 H new ATOM 0 HB2 MET A 51 48.773 11.822 14.035 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.385 11.136 14.043 1.00 6.81 H new ATOM 0 HG2 MET A 51 49.660 9.713 12.408 1.00 6.35 H new ATOM 0 HG3 MET A 51 48.756 8.882 13.658 1.00 6.35 H new ATOM 0 HE1 MET A 51 46.200 9.035 10.749 1.00 13.60 H new ATOM 0 HE2 MET A 51 47.966 8.836 10.652 1.00 13.60 H new ATOM 0 HE3 MET A 51 47.048 8.025 11.944 1.00 13.60 H new ATOM 747 N ILE A 52 51.359 9.756 16.229 1.00 7.65 N ATOM 748 CA ILE A 52 52.441 8.836 16.559 1.00 4.46 C ATOM 749 C ILE A 52 52.076 7.997 17.780 1.00 4.03 C ATOM 750 O ILE A 52 52.490 6.844 17.899 1.00 3.57 O ATOM 751 CB ILE A 52 53.727 9.620 16.832 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.936 8.769 16.435 1.00 8.71 C ATOM 753 CG2 ILE A 52 53.817 9.967 18.319 1.00 7.56 C ATOM 754 CD1 ILE A 52 56.194 9.638 16.431 1.00 8.27 C ATOM 0 H ILE A 52 51.617 10.743 16.251 1.00 7.65 H new ATOM 0 HA ILE A 52 52.600 8.168 15.712 1.00 4.46 H new ATOM 0 HB ILE A 52 53.718 10.540 16.248 1.00 6.21 H new ATOM 0 HG12 ILE A 52 55.056 7.941 17.133 1.00 8.71 H new ATOM 0 HG13 ILE A 52 54.779 8.334 15.448 1.00 8.71 H new ATOM 0 HG21 ILE A 52 54.734 10.525 18.508 1.00 7.56 H new ATOM 0 HG22 ILE A 52 52.958 10.574 18.604 1.00 7.56 H new ATOM 0 HG23 ILE A 52 53.823 9.049 18.907 1.00 7.56 H new ATOM 0 HD11 ILE A 52 57.054 9.031 16.148 1.00 8.27 H new ATOM 0 HD12 ILE A 52 56.072 10.451 15.715 1.00 8.27 H new ATOM 0 HD13 ILE A 52 56.353 10.052 17.427 1.00 8.27 H new ATOM 766 N ASN A 53 51.299 8.584 18.685 1.00 2.63 N ATOM 767 CA ASN A 53 50.886 7.879 19.893 1.00 2.00 C ATOM 768 C ASN A 53 49.935 6.737 19.548 1.00 6.04 C ATOM 769 O ASN A 53 49.984 5.670 20.159 1.00 3.59 O ATOM 770 CB ASN A 53 50.196 8.849 20.854 1.00 9.04 C ATOM 771 CG ASN A 53 51.137 9.996 21.202 1.00 3.69 C ATOM 772 OD1 ASN A 53 52.423 9.846 21.037 1.00 2.06 O flip ATOM 773 ND2 ASN A 53 50.690 11.058 21.636 1.00 3.59 N flip ATOM 0 H ASN A 53 50.945 9.538 18.606 1.00 2.63 H new ATOM 0 HA ASN A 53 51.774 7.465 20.371 1.00 2.00 H new ATOM 0 HB2 ASN A 53 49.286 9.240 20.398 1.00 9.04 H new ATOM 0 HB3 ASN A 53 49.898 8.324 21.762 1.00 9.04 H new ATOM 0 HD21 ASN A 53 49.685 11.174 21.764 1.00 3.59 H new ATOM 0 HD22 ASN A 53 51.325 11.822 21.867 1.00 3.59 H new ATOM 780 N GLU A 54 49.068 6.971 18.567 1.00 5.74 N ATOM 781 CA GLU A 54 48.108 5.955 18.152 1.00 2.00 C ATOM 782 C GLU A 54 48.812 4.630 17.875 1.00 2.75 C ATOM 783 O GLU A 54 48.400 3.582 18.371 1.00 4.80 O ATOM 784 CB GLU A 54 47.370 6.415 16.893 1.00 2.00 C ATOM 785 CG GLU A 54 46.339 7.482 17.266 1.00 5.28 C ATOM 786 CD GLU A 54 45.654 8.007 16.009 1.00 15.98 C ATOM 787 OE1 GLU A 54 45.205 9.141 16.033 1.00 23.58 O ATOM 788 OE2 GLU A 54 45.587 7.266 15.042 1.00 23.43 O ATOM 0 H GLU A 54 49.011 7.848 18.049 1.00 5.74 H new ATOM 0 HA GLU A 54 47.392 5.810 18.961 1.00 2.00 H new ATOM 0 HB2 GLU A 54 48.079 6.817 16.169 1.00 2.00 H new ATOM 0 HB3 GLU A 54 46.876 5.567 16.418 1.00 2.00 H new ATOM 0 HG2 GLU A 54 45.598 7.061 17.945 1.00 5.28 H new ATOM 0 HG3 GLU A 54 46.826 8.302 17.794 1.00 5.28 H new ATOM 795 N VAL A 55 49.876 4.685 17.080 1.00 2.00 N ATOM 796 CA VAL A 55 50.628 3.482 16.744 1.00 3.29 C ATOM 797 C VAL A 55 51.587 3.116 17.873 1.00 5.38 C ATOM 798 O VAL A 55 51.919 1.946 18.063 1.00 3.32 O ATOM 799 CB VAL A 55 51.417 3.702 15.453 1.00 4.63 C ATOM 800 CG1 VAL A 55 50.462 4.129 14.337 1.00 7.60 C ATOM 801 CG2 VAL A 55 52.463 4.797 15.675 1.00 6.66 C ATOM 0 H VAL A 55 50.234 5.542 16.660 1.00 2.00 H new ATOM 0 HA VAL A 55 49.922 2.663 16.603 1.00 3.29 H new ATOM 0 HB VAL A 55 51.915 2.775 15.170 1.00 4.63 H new ATOM 0 HG11 VAL A 55 51.025 4.286 13.417 1.00 7.60 H new ATOM 0 HG12 VAL A 55 49.716 3.350 14.178 1.00 7.60 H new ATOM 0 HG13 VAL A 55 49.963 5.056 14.620 1.00 7.60 H new ATOM 0 HG21 VAL A 55 53.026 4.954 14.755 1.00 6.66 H new ATOM 0 HG22 VAL A 55 51.965 5.724 15.959 1.00 6.66 H new ATOM 0 HG23 VAL A 55 53.144 4.494 16.470 1.00 6.66 H new ATOM 811 N ASP A 56 52.027 4.124 18.619 1.00 4.38 N ATOM 812 CA ASP A 56 52.948 3.896 19.726 1.00 5.59 C ATOM 813 C ASP A 56 52.181 3.697 21.029 1.00 9.10 C ATOM 814 O ASP A 56 51.768 4.663 21.671 1.00 10.26 O ATOM 815 CB ASP A 56 53.899 5.085 19.868 1.00 5.02 C ATOM 816 CG ASP A 56 54.979 4.769 20.897 1.00 8.99 C ATOM 817 OD1 ASP A 56 54.700 4.003 21.804 1.00 10.72 O ATOM 818 OD2 ASP A 56 56.071 5.297 20.763 1.00 12.55 O ATOM 0 H ASP A 56 51.763 5.099 18.479 1.00 4.38 H new ATOM 0 HA ASP A 56 53.523 2.995 19.515 1.00 5.59 H new ATOM 0 HB2 ASP A 56 54.357 5.312 18.905 1.00 5.02 H new ATOM 0 HB3 ASP A 56 53.343 5.972 20.173 1.00 5.02 H new ATOM 823 N ALA A 57 51.994 2.439 21.414 1.00 9.17 N ATOM 824 CA ALA A 57 51.274 2.125 22.643 1.00 12.52 C ATOM 825 C ALA A 57 52.207 2.213 23.847 1.00 14.37 C ATOM 826 O ALA A 57 51.756 2.313 24.988 1.00 15.13 O ATOM 827 CB ALA A 57 50.681 0.718 22.557 1.00 12.36 C ATOM 0 H ALA A 57 52.328 1.626 20.897 1.00 9.17 H new ATOM 0 HA ALA A 57 50.470 2.850 22.766 1.00 12.52 H new ATOM 0 HB1 ALA A 57 50.145 0.492 23.479 1.00 12.36 H new ATOM 0 HB2 ALA A 57 49.992 0.665 21.714 1.00 12.36 H new ATOM 0 HB3 ALA A 57 51.483 -0.007 22.416 1.00 12.36 H new ATOM 833 N ASP A 58 53.509 2.175 23.584 1.00 14.32 N ATOM 834 CA ASP A 58 54.497 2.251 24.654 1.00 13.48 C ATOM 835 C ASP A 58 54.838 3.705 24.966 1.00 13.08 C ATOM 836 O ASP A 58 55.495 3.998 25.965 1.00 14.09 O ATOM 837 CB ASP A 58 55.767 1.503 24.247 1.00 11.69 C ATOM 838 CG ASP A 58 55.451 0.506 23.137 1.00 12.70 C ATOM 839 OD1 ASP A 58 54.407 -0.121 23.210 1.00 6.62 O ATOM 840 OD2 ASP A 58 56.258 0.384 22.230 1.00 9.36 O ATOM 0 H ASP A 58 53.903 2.093 22.647 1.00 14.32 H new ATOM 0 HA ASP A 58 54.074 1.789 25.546 1.00 13.48 H new ATOM 0 HB2 ASP A 58 56.523 2.211 23.907 1.00 11.69 H new ATOM 0 HB3 ASP A 58 56.184 0.981 25.108 1.00 11.69 H new ATOM 845 N GLY A 59 54.388 4.611 24.105 1.00 13.64 N ATOM 846 CA GLY A 59 54.653 6.032 24.299 1.00 12.80 C ATOM 847 C GLY A 59 56.122 6.273 24.626 1.00 12.45 C ATOM 848 O GLY A 59 56.449 7.065 25.511 1.00 11.32 O ATOM 0 H GLY A 59 53.842 4.390 23.272 1.00 13.64 H new ATOM 0 HA2 GLY A 59 54.382 6.583 23.398 1.00 12.80 H new ATOM 0 HA3 GLY A 59 54.029 6.415 25.107 1.00 12.80 H new ATOM 852 N ASP A 60 57.004 5.585 23.908 1.00 10.86 N ATOM 853 CA ASP A 60 58.437 5.732 24.132 1.00 11.08 C ATOM 854 C ASP A 60 58.955 7.005 23.469 1.00 11.89 C ATOM 855 O ASP A 60 60.021 7.510 23.820 1.00 13.26 O ATOM 856 CB ASP A 60 59.181 4.521 23.566 1.00 13.03 C ATOM 857 CG ASP A 60 58.603 4.142 22.207 1.00 13.27 C ATOM 858 OD1 ASP A 60 59.383 3.900 21.301 1.00 9.09 O ATOM 859 OD2 ASP A 60 57.389 4.099 22.093 1.00 7.54 O ATOM 0 H ASP A 60 56.754 4.925 23.172 1.00 10.86 H new ATOM 0 HA ASP A 60 58.613 5.797 25.206 1.00 11.08 H new ATOM 0 HB2 ASP A 60 60.242 4.749 23.468 1.00 13.03 H new ATOM 0 HB3 ASP A 60 59.098 3.679 24.253 1.00 13.03 H new ATOM 864 N GLY A 61 58.193 7.518 22.508 1.00 11.65 N ATOM 865 CA GLY A 61 58.586 8.732 21.802 1.00 9.60 C ATOM 866 C GLY A 61 59.077 8.410 20.395 1.00 9.33 C ATOM 867 O GLY A 61 59.474 9.303 19.647 1.00 7.68 O ATOM 0 H GLY A 61 57.307 7.116 22.202 1.00 11.65 H new ATOM 0 HA2 GLY A 61 57.739 9.416 21.748 1.00 9.60 H new ATOM 0 HA3 GLY A 61 59.373 9.242 22.358 1.00 9.60 H new ATOM 871 N THR A 62 59.046 7.129 20.042 1.00 6.58 N ATOM 872 CA THR A 62 59.491 6.701 18.720 1.00 6.33 C ATOM 873 C THR A 62 58.546 5.648 18.152 1.00 7.13 C ATOM 874 O THR A 62 57.578 5.253 18.803 1.00 6.30 O ATOM 875 CB THR A 62 60.907 6.127 18.806 1.00 7.99 C ATOM 876 OG1 THR A 62 61.156 5.682 20.132 1.00 9.62 O ATOM 877 CG2 THR A 62 61.922 7.207 18.429 1.00 11.55 C ATOM 0 H THR A 62 58.720 6.375 20.647 1.00 6.58 H new ATOM 0 HA THR A 62 59.490 7.567 18.059 1.00 6.33 H new ATOM 0 HB THR A 62 61.001 5.288 18.117 1.00 7.99 H new ATOM 0 HG1 THR A 62 60.457 5.050 20.402 1.00 9.62 H new ATOM 0 HG21 THR A 62 62.930 6.797 18.491 1.00 11.55 H new ATOM 0 HG22 THR A 62 61.730 7.547 17.411 1.00 11.55 H new ATOM 0 HG23 THR A 62 61.830 8.048 19.116 1.00 11.55 H new ATOM 885 N ILE A 63 58.831 5.198 16.935 1.00 7.32 N ATOM 886 CA ILE A 63 57.997 4.190 16.290 1.00 8.34 C ATOM 887 C ILE A 63 58.801 2.924 16.012 1.00 8.66 C ATOM 888 O ILE A 63 59.615 2.883 15.089 1.00 7.62 O ATOM 889 CB ILE A 63 57.437 4.738 14.976 1.00 8.46 C ATOM 890 CG1 ILE A 63 56.537 5.941 15.269 1.00 10.06 C ATOM 891 CG2 ILE A 63 56.621 3.651 14.275 1.00 7.97 C ATOM 892 CD1 ILE A 63 55.424 5.524 16.231 1.00 9.28 C ATOM 0 H ILE A 63 59.626 5.512 16.379 1.00 7.32 H new ATOM 0 HA ILE A 63 57.175 3.944 16.962 1.00 8.34 H new ATOM 0 HB ILE A 63 58.260 5.046 14.331 1.00 8.46 H new ATOM 0 HG12 ILE A 63 57.124 6.750 15.704 1.00 10.06 H new ATOM 0 HG13 ILE A 63 56.107 6.321 14.342 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.222 4.042 13.339 1.00 7.97 H new ATOM 0 HG22 ILE A 63 57.261 2.793 14.067 1.00 7.97 H new ATOM 0 HG23 ILE A 63 55.798 3.342 14.919 1.00 7.97 H new ATOM 0 HD11 ILE A 63 54.783 6.381 16.439 1.00 9.28 H new ATOM 0 HD12 ILE A 63 54.831 4.729 15.779 1.00 9.28 H new ATOM 0 HD13 ILE A 63 55.863 5.164 17.162 1.00 9.28 H new ATOM 904 N ASP A 64 58.565 1.891 16.814 1.00 8.67 N ATOM 905 CA ASP A 64 59.270 0.626 16.645 1.00 8.18 C ATOM 906 C ASP A 64 58.657 -0.172 15.497 1.00 5.74 C ATOM 907 O ASP A 64 57.449 -0.117 15.267 1.00 3.75 O ATOM 908 CB ASP A 64 59.195 -0.187 17.939 1.00 8.75 C ATOM 909 CG ASP A 64 58.957 0.742 19.124 1.00 7.61 C ATOM 910 OD1 ASP A 64 58.177 0.378 19.990 1.00 11.33 O ATOM 911 OD2 ASP A 64 59.558 1.803 19.150 1.00 9.97 O ATOM 0 H ASP A 64 57.895 1.904 17.583 1.00 8.67 H new ATOM 0 HA ASP A 64 60.314 0.834 16.411 1.00 8.18 H new ATOM 0 HB2 ASP A 64 58.390 -0.919 17.872 1.00 8.75 H new ATOM 0 HB3 ASP A 64 60.121 -0.744 18.083 1.00 8.75 H new ATOM 916 N PHE A 65 59.496 -0.909 14.773 1.00 6.48 N ATOM 917 CA PHE A 65 59.017 -1.704 13.649 1.00 6.44 C ATOM 918 C PHE A 65 58.196 -2.899 14.136 1.00 6.12 C ATOM 919 O PHE A 65 57.201 -3.270 13.513 1.00 4.44 O ATOM 920 CB PHE A 65 60.200 -2.185 12.796 1.00 5.02 C ATOM 921 CG PHE A 65 59.849 -3.490 12.120 1.00 5.00 C ATOM 922 CD1 PHE A 65 59.421 -3.494 10.787 1.00 7.40 C ATOM 923 CD2 PHE A 65 59.951 -4.694 12.826 1.00 5.31 C ATOM 924 CE1 PHE A 65 59.096 -4.703 10.160 1.00 6.56 C ATOM 925 CE2 PHE A 65 59.626 -5.903 12.199 1.00 7.32 C ATOM 926 CZ PHE A 65 59.198 -5.907 10.866 1.00 5.90 C ATOM 0 H PHE A 65 60.500 -0.971 14.943 1.00 6.48 H new ATOM 0 HA PHE A 65 58.372 -1.074 13.036 1.00 6.44 H new ATOM 0 HB2 PHE A 65 60.449 -1.433 12.047 1.00 5.02 H new ATOM 0 HB3 PHE A 65 61.082 -2.316 13.423 1.00 5.02 H new ATOM 0 HD1 PHE A 65 59.342 -2.565 10.242 1.00 7.40 H new ATOM 0 HD2 PHE A 65 60.280 -4.691 13.855 1.00 5.31 H new ATOM 0 HE1 PHE A 65 58.767 -4.706 9.131 1.00 6.56 H new ATOM 0 HE2 PHE A 65 59.705 -6.832 12.744 1.00 7.32 H new ATOM 0 HZ PHE A 65 58.947 -6.839 10.382 1.00 5.90 H new ATOM 936 N PRO A 66 58.586 -3.502 15.230 1.00 5.59 N ATOM 937 CA PRO A 66 57.858 -4.674 15.800 1.00 3.90 C ATOM 938 C PRO A 66 56.385 -4.362 16.047 1.00 4.48 C ATOM 939 O PRO A 66 55.500 -5.066 15.559 1.00 6.66 O ATOM 940 CB PRO A 66 58.581 -4.960 17.120 1.00 6.57 C ATOM 941 CG PRO A 66 59.922 -4.317 16.996 1.00 2.24 C ATOM 942 CD PRO A 66 59.755 -3.136 16.042 1.00 3.70 C ATOM 0 HA PRO A 66 57.864 -5.525 15.119 1.00 3.90 H new ATOM 0 HB2 PRO A 66 58.028 -4.551 17.966 1.00 6.57 H new ATOM 0 HB3 PRO A 66 58.676 -6.033 17.290 1.00 6.57 H new ATOM 0 HG2 PRO A 66 60.282 -3.981 17.969 1.00 2.24 H new ATOM 0 HG3 PRO A 66 60.657 -5.025 16.611 1.00 2.24 H new ATOM 0 HD2 PRO A 66 59.590 -2.205 16.584 1.00 3.70 H new ATOM 0 HD3 PRO A 66 60.642 -2.992 15.424 1.00 3.70 H new ATOM 950 N GLU A 67 56.131 -3.301 16.805 1.00 3.17 N ATOM 951 CA GLU A 67 54.762 -2.901 17.108 1.00 5.95 C ATOM 952 C GLU A 67 54.083 -2.341 15.863 1.00 6.62 C ATOM 953 O GLU A 67 52.886 -2.537 15.655 1.00 3.48 O ATOM 954 CB GLU A 67 54.759 -1.844 18.214 1.00 5.69 C ATOM 955 CG GLU A 67 55.165 -0.490 17.627 1.00 5.12 C ATOM 956 CD GLU A 67 55.387 0.518 18.749 1.00 3.86 C ATOM 957 OE1 GLU A 67 55.931 0.129 19.769 1.00 7.44 O ATOM 958 OE2 GLU A 67 55.011 1.665 18.571 1.00 5.11 O ATOM 0 H GLU A 67 56.849 -2.706 17.218 1.00 3.17 H new ATOM 0 HA GLU A 67 54.211 -3.779 17.446 1.00 5.95 H new ATOM 0 HB2 GLU A 67 53.768 -1.775 18.663 1.00 5.69 H new ATOM 0 HB3 GLU A 67 55.450 -2.130 19.007 1.00 5.69 H new ATOM 0 HG2 GLU A 67 56.076 -0.598 17.038 1.00 5.12 H new ATOM 0 HG3 GLU A 67 54.389 -0.130 16.951 1.00 5.12 H new ATOM 965 N PHE A 68 54.857 -1.645 15.036 1.00 6.05 N ATOM 966 CA PHE A 68 54.320 -1.063 13.812 1.00 4.52 C ATOM 967 C PHE A 68 53.472 -2.086 13.065 1.00 3.96 C ATOM 968 O PHE A 68 52.549 -1.727 12.334 1.00 5.29 O ATOM 969 CB PHE A 68 55.463 -0.590 12.912 1.00 4.53 C ATOM 970 CG PHE A 68 54.926 -0.286 11.534 1.00 2.68 C ATOM 971 CD1 PHE A 68 54.266 0.925 11.292 1.00 8.58 C ATOM 972 CD2 PHE A 68 55.087 -1.214 10.499 1.00 2.58 C ATOM 973 CE1 PHE A 68 53.767 1.207 10.015 1.00 5.36 C ATOM 974 CE2 PHE A 68 54.588 -0.932 9.222 1.00 7.42 C ATOM 975 CZ PHE A 68 53.928 0.279 8.980 1.00 2.84 C ATOM 0 H PHE A 68 55.850 -1.471 15.190 1.00 6.05 H new ATOM 0 HA PHE A 68 53.694 -0.211 14.079 1.00 4.52 H new ATOM 0 HB2 PHE A 68 55.930 0.299 13.336 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.234 -1.358 12.852 1.00 4.53 H new ATOM 0 HD1 PHE A 68 54.142 1.641 12.091 1.00 8.58 H new ATOM 0 HD2 PHE A 68 55.596 -2.148 10.686 1.00 2.58 H new ATOM 0 HE1 PHE A 68 53.258 2.141 9.828 1.00 5.36 H new ATOM 0 HE2 PHE A 68 54.712 -1.648 8.423 1.00 7.42 H new ATOM 0 HZ PHE A 68 53.543 0.497 7.995 1.00 2.84 H new ATOM 985 N LEU A 69 53.785 -3.362 13.263 1.00 3.21 N ATOM 986 CA LEU A 69 53.040 -4.432 12.614 1.00 2.17 C ATOM 987 C LEU A 69 51.783 -4.758 13.415 1.00 2.00 C ATOM 988 O LEU A 69 50.735 -5.065 12.847 1.00 4.25 O ATOM 989 CB LEU A 69 53.916 -5.683 12.499 1.00 4.14 C ATOM 990 CG LEU A 69 54.221 -5.964 11.026 1.00 4.19 C ATOM 991 CD1 LEU A 69 55.451 -6.867 10.922 1.00 3.81 C ATOM 992 CD2 LEU A 69 53.021 -6.661 10.382 1.00 9.43 C ATOM 0 H LEU A 69 54.546 -3.678 13.865 1.00 3.21 H new ATOM 0 HA LEU A 69 52.751 -4.102 11.616 1.00 2.17 H new ATOM 0 HB2 LEU A 69 54.844 -5.541 13.052 1.00 4.14 H new ATOM 0 HB3 LEU A 69 53.407 -6.538 12.945 1.00 4.14 H new ATOM 0 HG LEU A 69 54.417 -5.024 10.510 1.00 4.19 H new ATOM 0 HD11 LEU A 69 55.668 -7.067 9.873 1.00 3.81 H new ATOM 0 HD12 LEU A 69 56.306 -6.371 11.381 1.00 3.81 H new ATOM 0 HD13 LEU A 69 55.257 -7.807 11.438 1.00 3.81 H new ATOM 0 HD21 LEU A 69 53.237 -6.862 9.333 1.00 9.43 H new ATOM 0 HD22 LEU A 69 52.826 -7.601 10.899 1.00 9.43 H new ATOM 0 HD23 LEU A 69 52.144 -6.018 10.455 1.00 9.43 H new ATOM 1004 N THR A 70 51.899 -4.687 14.738 1.00 3.70 N ATOM 1005 CA THR A 70 50.768 -4.975 15.611 1.00 5.12 C ATOM 1006 C THR A 70 49.632 -3.990 15.356 1.00 5.47 C ATOM 1007 O THR A 70 48.488 -4.389 15.141 1.00 6.71 O ATOM 1008 CB THR A 70 51.203 -4.889 17.076 1.00 6.65 C ATOM 1009 OG1 THR A 70 51.867 -3.653 17.298 1.00 7.41 O ATOM 1010 CG2 THR A 70 52.150 -6.046 17.397 1.00 7.53 C ATOM 0 H THR A 70 52.759 -4.434 15.225 1.00 3.70 H new ATOM 0 HA THR A 70 50.415 -5.984 15.397 1.00 5.12 H new ATOM 0 HB THR A 70 50.327 -4.952 17.721 1.00 6.65 H new ATOM 0 HG1 THR A 70 52.107 -3.252 16.437 1.00 7.41 H new ATOM 0 HG21 THR A 70 52.459 -5.984 18.440 1.00 7.53 H new ATOM 0 HG22 THR A 70 51.638 -6.993 17.226 1.00 7.53 H new ATOM 0 HG23 THR A 70 53.028 -5.987 16.754 1.00 7.53 H new ATOM 1018 N MET A 71 49.957 -2.702 15.381 1.00 4.38 N ATOM 1019 CA MET A 71 48.955 -1.668 15.150 1.00 6.23 C ATOM 1020 C MET A 71 48.132 -1.991 13.908 1.00 7.97 C ATOM 1021 O MET A 71 46.905 -1.892 13.921 1.00 7.91 O ATOM 1022 CB MET A 71 49.636 -0.309 14.975 1.00 7.76 C ATOM 1023 CG MET A 71 48.609 0.719 14.499 1.00 9.30 C ATOM 1024 SD MET A 71 48.430 0.606 12.701 1.00 11.86 S ATOM 1025 CE MET A 71 47.322 2.021 12.494 1.00 11.60 C ATOM 0 H MET A 71 50.898 -2.351 15.557 1.00 4.38 H new ATOM 0 HA MET A 71 48.291 -1.631 16.014 1.00 6.23 H new ATOM 0 HB2 MET A 71 50.078 0.012 15.918 1.00 7.76 H new ATOM 0 HB3 MET A 71 50.449 -0.388 14.253 1.00 7.76 H new ATOM 0 HG2 MET A 71 47.649 0.540 14.983 1.00 9.30 H new ATOM 0 HG3 MET A 71 48.926 1.723 14.781 1.00 9.30 H new ATOM 0 HE1 MET A 71 47.076 2.139 11.439 1.00 11.60 H new ATOM 0 HE2 MET A 71 46.407 1.853 13.063 1.00 11.60 H new ATOM 0 HE3 MET A 71 47.814 2.924 12.856 1.00 11.60 H new ATOM 1035 N MET A 72 48.816 -2.378 12.836 1.00 9.49 N ATOM 1036 CA MET A 72 48.137 -2.714 11.589 1.00 9.20 C ATOM 1037 C MET A 72 47.430 -4.060 11.711 1.00 8.73 C ATOM 1038 O MET A 72 46.263 -4.196 11.342 1.00 8.56 O ATOM 1039 CB MET A 72 49.147 -2.768 10.442 1.00 11.85 C ATOM 1040 CG MET A 72 49.954 -1.468 10.410 1.00 12.33 C ATOM 1041 SD MET A 72 51.418 -1.692 9.369 1.00 22.32 S ATOM 1042 CE MET A 72 50.636 -1.286 7.788 1.00 15.46 C ATOM 0 H MET A 72 49.832 -2.466 12.805 1.00 9.49 H new ATOM 0 HA MET A 72 47.395 -1.943 11.382 1.00 9.20 H new ATOM 0 HB2 MET A 72 49.815 -3.620 10.571 1.00 11.85 H new ATOM 0 HB3 MET A 72 48.629 -2.910 9.494 1.00 11.85 H new ATOM 0 HG2 MET A 72 49.340 -0.656 10.022 1.00 12.33 H new ATOM 0 HG3 MET A 72 50.252 -1.188 11.420 1.00 12.33 H new ATOM 0 HE1 MET A 72 51.316 -1.531 6.972 1.00 15.46 H new ATOM 0 HE2 MET A 72 49.716 -1.861 7.679 1.00 15.46 H new ATOM 0 HE3 MET A 72 50.404 -0.221 7.760 1.00 15.46 H new ATOM 1052 N ALA A 73 48.145 -5.053 12.231 1.00 8.08 N ATOM 1053 CA ALA A 73 47.576 -6.386 12.397 1.00 7.41 C ATOM 1054 C ALA A 73 46.309 -6.325 13.245 1.00 8.06 C ATOM 1055 O ALA A 73 45.277 -6.885 12.876 1.00 5.90 O ATOM 1056 CB ALA A 73 48.596 -7.309 13.065 1.00 9.15 C ATOM 0 H ALA A 73 49.112 -4.961 12.542 1.00 8.08 H new ATOM 0 HA ALA A 73 47.322 -6.778 11.412 1.00 7.41 H new ATOM 0 HB1 ALA A 73 48.164 -8.302 13.185 1.00 9.15 H new ATOM 0 HB2 ALA A 73 49.489 -7.375 12.443 1.00 9.15 H new ATOM 0 HB3 ALA A 73 48.863 -6.909 14.043 1.00 9.15 H new ATOM 1062 N ARG A 74 46.396 -5.643 14.382 1.00 7.07 N ATOM 1063 CA ARG A 74 45.250 -5.517 15.275 1.00 10.51 C ATOM 1064 C ARG A 74 43.991 -5.175 14.484 1.00 13.70 C ATOM 1065 O ARG A 74 42.937 -5.778 14.686 1.00 13.80 O ATOM 1066 CB ARG A 74 45.514 -4.425 16.313 1.00 9.06 C ATOM 1067 CG ARG A 74 44.583 -4.622 17.511 1.00 8.61 C ATOM 1068 CD ARG A 74 44.999 -3.681 18.642 1.00 8.72 C ATOM 1069 NE ARG A 74 46.364 -3.973 19.065 1.00 7.70 N ATOM 1070 CZ ARG A 74 46.627 -4.977 19.895 1.00 10.03 C ATOM 1071 NH1 ARG A 74 47.856 -5.219 20.259 1.00 9.17 N ATOM 1072 NH2 ARG A 74 45.654 -5.722 20.346 1.00 12.90 N ATOM 0 H ARG A 74 47.241 -5.172 14.705 1.00 7.07 H new ATOM 0 HA ARG A 74 45.101 -6.471 15.781 1.00 10.51 H new ATOM 0 HB2 ARG A 74 46.554 -4.461 16.638 1.00 9.06 H new ATOM 0 HB3 ARG A 74 45.352 -3.442 15.871 1.00 9.06 H new ATOM 0 HG2 ARG A 74 43.552 -4.424 17.220 1.00 8.61 H new ATOM 0 HG3 ARG A 74 44.625 -5.657 17.851 1.00 8.61 H new ATOM 0 HD2 ARG A 74 44.928 -2.646 18.308 1.00 8.72 H new ATOM 0 HD3 ARG A 74 44.318 -3.791 19.486 1.00 8.72 H new ATOM 0 HE ARG A 74 47.130 -3.396 18.718 1.00 7.70 H new ATOM 0 HH11 ARG A 74 48.616 -4.637 19.907 1.00 9.17 H new ATOM 0 HH12 ARG A 74 48.057 -5.990 20.896 1.00 9.17 H new ATOM 0 HH21 ARG A 74 44.693 -5.533 20.061 1.00 12.90 H new ATOM 0 HH22 ARG A 74 45.855 -6.493 20.983 1.00 12.90 H new ATOM 1086 N LYS A 75 44.109 -4.206 13.583 1.00 16.35 N ATOM 1087 CA LYS A 75 42.973 -3.793 12.767 1.00 20.00 C ATOM 1088 C LYS A 75 42.284 -5.008 12.154 1.00 24.09 C ATOM 1089 O LYS A 75 41.056 -5.083 12.113 1.00 25.18 O ATOM 1090 CB LYS A 75 43.443 -2.855 11.653 1.00 19.04 C ATOM 1091 CG LYS A 75 42.247 -2.076 11.101 1.00 19.89 C ATOM 1092 CD LYS A 75 42.522 -1.678 9.650 1.00 18.07 C ATOM 1093 CE LYS A 75 42.093 -0.227 9.428 1.00 18.98 C ATOM 1094 NZ LYS A 75 43.199 0.686 9.834 1.00 19.67 N ATOM 0 H LYS A 75 44.973 -3.695 13.400 1.00 16.35 H new ATOM 0 HA LYS A 75 42.262 -3.270 13.406 1.00 20.00 H new ATOM 0 HB2 LYS A 75 44.194 -2.165 12.037 1.00 19.04 H new ATOM 0 HB3 LYS A 75 43.916 -3.429 10.856 1.00 19.04 H new ATOM 0 HG2 LYS A 75 41.345 -2.686 11.157 1.00 19.89 H new ATOM 0 HG3 LYS A 75 42.069 -1.187 11.705 1.00 19.89 H new ATOM 0 HD2 LYS A 75 43.582 -1.793 9.425 1.00 18.07 H new ATOM 0 HD3 LYS A 75 41.979 -2.337 8.972 1.00 18.07 H new ATOM 0 HE2 LYS A 75 41.842 -0.067 8.379 1.00 18.98 H new ATOM 0 HE3 LYS A 75 41.196 -0.009 10.008 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 42.823 1.645 9.977 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 43.623 0.345 10.720 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 43.924 0.706 9.089 1.00 19.67 H new ATOM 1108 N MET A 76 43.083 -5.958 11.679 1.00 27.98 N ATOM 1109 CA MET A 76 42.540 -7.166 11.071 1.00 31.28 C ATOM 1110 C MET A 76 41.985 -8.102 12.140 1.00 33.28 C ATOM 1111 O MET A 76 41.129 -8.942 11.860 1.00 34.71 O ATOM 1112 CB MET A 76 43.631 -7.887 10.276 1.00 31.71 C ATOM 1113 CG MET A 76 42.985 -8.863 9.291 1.00 33.18 C ATOM 1114 SD MET A 76 44.237 -10.017 8.677 1.00 34.79 S ATOM 1115 CE MET A 76 44.303 -9.399 6.978 1.00 33.37 C ATOM 0 H MET A 76 44.102 -5.915 11.703 1.00 27.98 H new ATOM 0 HA MET A 76 41.731 -6.879 10.400 1.00 31.28 H new ATOM 0 HB2 MET A 76 44.243 -7.163 9.738 1.00 31.71 H new ATOM 0 HB3 MET A 76 44.295 -8.424 10.954 1.00 31.71 H new ATOM 0 HG2 MET A 76 42.179 -9.410 9.780 1.00 33.18 H new ATOM 0 HG3 MET A 76 42.540 -8.316 8.460 1.00 33.18 H new ATOM 0 HE1 MET A 76 45.028 -9.980 6.408 1.00 33.37 H new ATOM 0 HE2 MET A 76 43.319 -9.494 6.518 1.00 33.37 H new ATOM 0 HE3 MET A 76 44.601 -8.351 6.983 1.00 33.37 H new ATOM 1125 N LYS A 77 42.477 -7.951 13.365 1.00 35.40 N ATOM 1126 CA LYS A 77 42.022 -8.789 14.469 1.00 36.50 C ATOM 1127 C LYS A 77 41.102 -8.001 15.396 1.00 37.55 C ATOM 1128 O LYS A 77 40.860 -8.402 16.534 1.00 37.57 O ATOM 1129 CB LYS A 77 43.224 -9.308 15.260 1.00 36.85 C ATOM 1130 CG LYS A 77 42.803 -10.523 16.089 1.00 37.43 C ATOM 1131 CD LYS A 77 43.557 -10.519 17.421 1.00 37.60 C ATOM 1132 CE LYS A 77 43.517 -11.919 18.035 1.00 37.65 C ATOM 1133 NZ LYS A 77 44.503 -12.795 17.341 1.00 35.44 N ATOM 0 H LYS A 77 43.185 -7.262 13.618 1.00 35.40 H new ATOM 0 HA LYS A 77 41.468 -9.632 14.056 1.00 36.50 H new ATOM 0 HB2 LYS A 77 44.031 -9.581 14.579 1.00 36.85 H new ATOM 0 HB3 LYS A 77 43.609 -8.525 15.913 1.00 36.85 H new ATOM 0 HG2 LYS A 77 41.728 -10.500 16.268 1.00 37.43 H new ATOM 0 HG3 LYS A 77 43.015 -11.441 15.542 1.00 37.43 H new ATOM 0 HD2 LYS A 77 44.590 -10.208 17.265 1.00 37.60 H new ATOM 0 HD3 LYS A 77 43.107 -9.798 18.104 1.00 37.60 H new ATOM 0 HE2 LYS A 77 43.746 -11.867 19.099 1.00 37.65 H new ATOM 0 HE3 LYS A 77 42.515 -12.339 17.945 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 44.688 -13.637 17.922 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 44.119 -13.088 16.420 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 45.390 -12.272 17.196 1.00 35.44 H new ATOM 1147 N ASP A 78 40.591 -6.878 14.901 1.00 38.44 N ATOM 1148 CA ASP A 78 39.699 -6.041 15.695 1.00 38.90 C ATOM 1149 C ASP A 78 38.653 -5.378 14.804 1.00 38.64 C ATOM 1150 O ASP A 78 38.401 -5.828 13.686 1.00 38.62 O ATOM 1151 CB ASP A 78 40.504 -4.967 16.427 1.00 39.45 C ATOM 1152 CG ASP A 78 39.755 -4.516 17.677 1.00 40.62 C ATOM 1153 OD1 ASP A 78 40.115 -3.484 18.219 1.00 41.55 O ATOM 1154 OD2 ASP A 78 38.834 -5.210 18.074 1.00 42.58 O ATOM 0 H ASP A 78 40.778 -6.529 13.961 1.00 38.44 H new ATOM 0 HA ASP A 78 39.191 -6.673 16.424 1.00 38.90 H new ATOM 0 HB2 ASP A 78 41.484 -5.359 16.701 1.00 39.45 H new ATOM 0 HB3 ASP A 78 40.674 -4.116 15.768 1.00 39.45 H new ATOM 1159 N THR A 79 38.048 -4.307 15.306 1.00 38.19 N ATOM 1160 CA THR A 79 37.031 -3.589 14.547 1.00 37.86 C ATOM 1161 C THR A 79 37.674 -2.526 13.662 1.00 37.73 C ATOM 1162 O THR A 79 38.807 -2.108 13.901 1.00 37.97 O ATOM 1163 CB THR A 79 36.036 -2.927 15.502 1.00 37.85 C ATOM 1164 OG1 THR A 79 35.410 -1.833 14.847 1.00 37.57 O ATOM 1165 CG2 THR A 79 36.773 -2.427 16.744 1.00 38.40 C ATOM 0 H THR A 79 38.242 -3.919 16.229 1.00 38.19 H new ATOM 0 HA THR A 79 36.505 -4.304 13.914 1.00 37.86 H new ATOM 0 HB THR A 79 35.280 -3.653 15.800 1.00 37.85 H new ATOM 0 HG1 THR A 79 34.771 -1.409 15.457 1.00 37.57 H new ATOM 0 HG21 THR A 79 36.063 -1.956 17.423 1.00 38.40 H new ATOM 0 HG22 THR A 79 37.252 -3.268 17.246 1.00 38.40 H new ATOM 0 HG23 THR A 79 37.531 -1.701 16.450 1.00 38.40 H new ATOM 1173 N ASP A 80 36.943 -2.092 12.640 1.00 36.93 N ATOM 1174 CA ASP A 80 37.453 -1.077 11.726 1.00 35.96 C ATOM 1175 C ASP A 80 36.639 0.208 11.845 1.00 34.62 C ATOM 1176 O ASP A 80 35.435 0.170 12.096 1.00 34.15 O ATOM 1177 CB ASP A 80 37.392 -1.592 10.287 1.00 36.21 C ATOM 1178 CG ASP A 80 36.389 -2.736 10.185 1.00 36.84 C ATOM 1179 OD1 ASP A 80 36.820 -3.877 10.184 1.00 37.34 O ATOM 1180 OD2 ASP A 80 35.204 -2.454 10.109 1.00 37.51 O ATOM 0 H ASP A 80 36.003 -2.424 12.425 1.00 36.93 H new ATOM 0 HA ASP A 80 38.489 -0.863 11.991 1.00 35.96 H new ATOM 0 HB2 ASP A 80 37.104 -0.784 9.615 1.00 36.21 H new ATOM 0 HB3 ASP A 80 38.378 -1.933 9.972 1.00 36.21 H new ATOM 1185 N SER A 81 37.305 1.343 11.663 1.00 33.12 N ATOM 1186 CA SER A 81 36.633 2.634 11.752 1.00 32.50 C ATOM 1187 C SER A 81 36.429 3.230 10.363 1.00 31.96 C ATOM 1188 O SER A 81 37.217 2.984 9.449 1.00 32.51 O ATOM 1189 CB SER A 81 37.460 3.596 12.605 1.00 32.54 C ATOM 1190 OG SER A 81 38.064 2.876 13.672 1.00 31.58 O ATOM 0 H SER A 81 38.302 1.396 11.454 1.00 33.12 H new ATOM 0 HA SER A 81 35.659 2.483 12.216 1.00 32.50 H new ATOM 0 HB2 SER A 81 38.226 4.075 11.995 1.00 32.54 H new ATOM 0 HB3 SER A 81 36.825 4.389 13.000 1.00 32.54 H new ATOM 0 HG SER A 81 38.597 3.489 14.220 1.00 31.58 H new ATOM 1196 N GLU A 82 35.367 4.014 10.211 1.00 30.82 N ATOM 1197 CA GLU A 82 35.070 4.640 8.927 1.00 29.89 C ATOM 1198 C GLU A 82 35.843 5.946 8.775 1.00 28.70 C ATOM 1199 O GLU A 82 36.305 6.282 7.684 1.00 28.16 O ATOM 1200 CB GLU A 82 33.569 4.918 8.818 1.00 30.37 C ATOM 1201 CG GLU A 82 32.795 3.605 8.950 1.00 31.12 C ATOM 1202 CD GLU A 82 32.223 3.198 7.597 1.00 32.64 C ATOM 1203 OE1 GLU A 82 32.470 2.077 7.184 1.00 34.28 O ATOM 1204 OE2 GLU A 82 31.546 4.014 6.993 1.00 32.86 O ATOM 0 H GLU A 82 34.702 4.230 10.954 1.00 30.82 H new ATOM 0 HA GLU A 82 35.373 3.958 8.133 1.00 29.89 H new ATOM 0 HB2 GLU A 82 33.260 5.614 9.598 1.00 30.37 H new ATOM 0 HB3 GLU A 82 33.344 5.390 7.862 1.00 30.37 H new ATOM 0 HG2 GLU A 82 33.453 2.822 9.326 1.00 31.12 H new ATOM 0 HG3 GLU A 82 31.989 3.720 9.675 1.00 31.12 H new ATOM 1211 N GLU A 83 35.981 6.679 9.876 1.00 27.40 N ATOM 1212 CA GLU A 83 36.701 7.947 9.853 1.00 26.44 C ATOM 1213 C GLU A 83 37.981 7.822 9.033 1.00 24.80 C ATOM 1214 O GLU A 83 38.388 8.764 8.352 1.00 24.59 O ATOM 1215 CB GLU A 83 37.046 8.377 11.280 1.00 26.68 C ATOM 1216 CG GLU A 83 37.871 7.281 11.958 1.00 28.12 C ATOM 1217 CD GLU A 83 39.359 7.551 11.761 1.00 29.86 C ATOM 1218 OE1 GLU A 83 40.140 7.066 12.563 1.00 30.91 O ATOM 1219 OE2 GLU A 83 39.695 8.239 10.812 1.00 30.49 O ATOM 0 H GLU A 83 35.607 6.419 10.789 1.00 27.40 H new ATOM 0 HA GLU A 83 36.061 8.699 9.392 1.00 26.44 H new ATOM 0 HB2 GLU A 83 37.607 9.312 11.264 1.00 26.68 H new ATOM 0 HB3 GLU A 83 36.133 8.563 11.846 1.00 26.68 H new ATOM 0 HG2 GLU A 83 37.637 7.244 13.022 1.00 28.12 H new ATOM 0 HG3 GLU A 83 37.611 6.308 11.541 1.00 28.12 H new ATOM 1226 N GLU A 84 38.612 6.655 9.102 1.00 22.86 N ATOM 1227 CA GLU A 84 39.846 6.419 8.362 1.00 21.10 C ATOM 1228 C GLU A 84 39.540 6.036 6.917 1.00 19.58 C ATOM 1229 O GLU A 84 40.394 6.156 6.039 1.00 18.69 O ATOM 1230 CB GLU A 84 40.649 5.301 9.028 1.00 21.32 C ATOM 1231 CG GLU A 84 39.792 4.037 9.114 1.00 21.26 C ATOM 1232 CD GLU A 84 40.676 2.799 9.002 1.00 20.61 C ATOM 1233 OE1 GLU A 84 40.640 2.162 7.962 1.00 18.73 O ATOM 1234 OE2 GLU A 84 41.376 2.507 9.957 1.00 19.88 O ATOM 0 H GLU A 84 38.292 5.863 9.659 1.00 22.86 H new ATOM 0 HA GLU A 84 40.431 7.339 8.366 1.00 21.10 H new ATOM 0 HB2 GLU A 84 41.555 5.100 8.457 1.00 21.32 H new ATOM 0 HB3 GLU A 84 40.963 5.609 10.026 1.00 21.32 H new ATOM 0 HG2 GLU A 84 39.247 4.021 10.058 1.00 21.26 H new ATOM 0 HG3 GLU A 84 39.049 4.037 8.317 1.00 21.26 H new ATOM 1241 N ILE A 85 38.316 5.576 6.678 1.00 18.05 N ATOM 1242 CA ILE A 85 37.909 5.178 5.336 1.00 17.24 C ATOM 1243 C ILE A 85 37.560 6.403 4.496 1.00 15.64 C ATOM 1244 O ILE A 85 37.812 6.434 3.292 1.00 14.56 O ATOM 1245 CB ILE A 85 36.698 4.247 5.412 1.00 17.25 C ATOM 1246 CG1 ILE A 85 37.156 2.850 5.837 1.00 18.63 C ATOM 1247 CG2 ILE A 85 36.028 4.167 4.039 1.00 19.17 C ATOM 1248 CD1 ILE A 85 35.934 1.992 6.169 1.00 18.98 C ATOM 0 H ILE A 85 37.594 5.470 7.391 1.00 18.05 H new ATOM 0 HA ILE A 85 38.741 4.654 4.865 1.00 17.24 H new ATOM 0 HB ILE A 85 35.987 4.635 6.141 1.00 17.25 H new ATOM 0 HG12 ILE A 85 37.733 2.386 5.037 1.00 18.63 H new ATOM 0 HG13 ILE A 85 37.812 2.919 6.705 1.00 18.63 H new ATOM 0 HG21 ILE A 85 35.165 3.503 4.093 1.00 19.17 H new ATOM 0 HG22 ILE A 85 35.702 5.162 3.735 1.00 19.17 H new ATOM 0 HG23 ILE A 85 36.739 3.779 3.309 1.00 19.17 H new ATOM 0 HD11 ILE A 85 36.260 0.997 6.472 1.00 18.98 H new ATOM 0 HD12 ILE A 85 35.375 2.454 6.983 1.00 18.98 H new ATOM 0 HD13 ILE A 85 35.295 1.913 5.289 1.00 18.98 H new ATOM 1260 N ARG A 86 36.978 7.409 5.140 1.00 14.41 N ATOM 1261 CA ARG A 86 36.598 8.632 4.442 1.00 13.90 C ATOM 1262 C ARG A 86 37.823 9.503 4.181 1.00 12.70 C ATOM 1263 O ARG A 86 38.079 9.908 3.047 1.00 11.99 O ATOM 1264 CB ARG A 86 35.577 9.413 5.274 1.00 14.24 C ATOM 1265 CG ARG A 86 35.399 8.732 6.632 1.00 17.61 C ATOM 1266 CD ARG A 86 34.315 9.460 7.429 1.00 20.77 C ATOM 1267 NE ARG A 86 34.922 10.403 8.362 1.00 24.52 N ATOM 1268 CZ ARG A 86 34.203 10.985 9.316 1.00 25.58 C ATOM 1269 NH1 ARG A 86 34.769 11.826 10.138 1.00 26.77 N ATOM 1270 NH2 ARG A 86 32.932 10.716 9.431 1.00 26.85 N ATOM 0 H ARG A 86 36.760 7.403 6.136 1.00 14.41 H new ATOM 0 HA ARG A 86 36.152 8.359 3.485 1.00 13.90 H new ATOM 0 HB2 ARG A 86 35.914 10.441 5.412 1.00 14.24 H new ATOM 0 HB3 ARG A 86 34.622 9.458 4.750 1.00 14.24 H new ATOM 0 HG2 ARG A 86 35.123 7.687 6.493 1.00 17.61 H new ATOM 0 HG3 ARG A 86 36.340 8.743 7.183 1.00 17.61 H new ATOM 0 HD2 ARG A 86 33.647 9.989 6.749 1.00 20.77 H new ATOM 0 HD3 ARG A 86 33.708 8.738 7.974 1.00 20.77 H new ATOM 0 HE ARG A 86 35.915 10.619 8.281 1.00 24.52 H new ATOM 0 HH11 ARG A 86 35.763 12.036 10.048 1.00 26.77 H new ATOM 0 HH12 ARG A 86 34.217 12.273 10.870 1.00 26.77 H new ATOM 0 HH21 ARG A 86 32.490 10.059 8.789 1.00 26.85 H new ATOM 0 HH22 ARG A 86 32.380 11.163 10.163 1.00 26.85 H new ATOM 1284 N GLU A 87 38.575 9.789 5.239 1.00 11.87 N ATOM 1285 CA GLU A 87 39.771 10.614 5.112 1.00 11.27 C ATOM 1286 C GLU A 87 40.774 9.964 4.164 1.00 10.38 C ATOM 1287 O GLU A 87 41.134 10.539 3.137 1.00 9.38 O ATOM 1288 CB GLU A 87 40.418 10.810 6.485 1.00 11.16 C ATOM 1289 CG GLU A 87 39.505 11.670 7.361 1.00 12.67 C ATOM 1290 CD GLU A 87 40.033 13.100 7.416 1.00 13.78 C ATOM 1291 OE1 GLU A 87 40.543 13.483 8.456 1.00 15.83 O ATOM 1292 OE2 GLU A 87 39.918 13.792 6.418 1.00 16.48 O ATOM 0 H GLU A 87 38.380 9.465 6.186 1.00 11.87 H new ATOM 0 HA GLU A 87 39.479 11.582 4.705 1.00 11.27 H new ATOM 0 HB2 GLU A 87 40.590 9.844 6.959 1.00 11.16 H new ATOM 0 HB3 GLU A 87 41.391 11.289 6.375 1.00 11.16 H new ATOM 0 HG2 GLU A 87 38.491 11.663 6.961 1.00 12.67 H new ATOM 0 HG3 GLU A 87 39.454 11.253 8.367 1.00 12.67 H new ATOM 1299 N ALA A 88 41.220 8.763 4.515 1.00 9.34 N ATOM 1300 CA ALA A 88 42.182 8.043 3.688 1.00 9.01 C ATOM 1301 C ALA A 88 41.718 8.003 2.236 1.00 8.92 C ATOM 1302 O ALA A 88 42.532 8.025 1.313 1.00 8.79 O ATOM 1303 CB ALA A 88 42.354 6.616 4.210 1.00 9.91 C ATOM 0 H ALA A 88 40.933 8.270 5.361 1.00 9.34 H new ATOM 0 HA ALA A 88 43.137 8.566 3.737 1.00 9.01 H new ATOM 0 HB1 ALA A 88 43.074 6.085 3.587 1.00 9.91 H new ATOM 0 HB2 ALA A 88 42.716 6.646 5.238 1.00 9.91 H new ATOM 0 HB3 ALA A 88 41.395 6.099 4.178 1.00 9.91 H new ATOM 1309 N PHE A 89 40.405 7.943 2.040 1.00 7.54 N ATOM 1310 CA PHE A 89 39.843 7.898 0.695 1.00 7.23 C ATOM 1311 C PHE A 89 39.824 9.292 0.075 1.00 8.19 C ATOM 1312 O PHE A 89 40.458 9.534 -0.952 1.00 8.53 O ATOM 1313 CB PHE A 89 38.420 7.339 0.742 1.00 7.14 C ATOM 1314 CG PHE A 89 37.861 7.271 -0.659 1.00 5.05 C ATOM 1315 CD1 PHE A 89 37.749 6.036 -1.308 1.00 4.80 C ATOM 1316 CD2 PHE A 89 37.454 8.442 -1.308 1.00 5.56 C ATOM 1317 CE1 PHE A 89 37.231 5.972 -2.606 1.00 7.76 C ATOM 1318 CE2 PHE A 89 36.936 8.378 -2.607 1.00 2.16 C ATOM 1319 CZ PHE A 89 36.825 7.143 -3.256 1.00 6.19 C ATOM 0 H PHE A 89 39.714 7.924 2.790 1.00 7.54 H new ATOM 0 HA PHE A 89 40.468 7.249 0.082 1.00 7.23 H new ATOM 0 HB2 PHE A 89 38.422 6.347 1.193 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.789 7.972 1.367 1.00 7.14 H new ATOM 0 HD1 PHE A 89 38.063 5.132 -0.807 1.00 4.80 H new ATOM 0 HD2 PHE A 89 37.539 9.395 -0.807 1.00 5.56 H new ATOM 0 HE1 PHE A 89 37.144 5.019 -3.106 1.00 7.76 H new ATOM 0 HE2 PHE A 89 36.622 9.282 -3.108 1.00 2.16 H new ATOM 0 HZ PHE A 89 36.426 7.094 -4.258 1.00 6.19 H new ATOM 1329 N ARG A 90 39.091 10.204 0.705 1.00 8.03 N ATOM 1330 CA ARG A 90 38.994 11.571 0.206 1.00 8.76 C ATOM 1331 C ARG A 90 40.357 12.255 0.242 1.00 7.43 C ATOM 1332 O ARG A 90 40.577 13.258 -0.436 1.00 6.92 O ATOM 1333 CB ARG A 90 37.999 12.367 1.054 1.00 8.74 C ATOM 1334 CG ARG A 90 38.719 12.953 2.270 1.00 13.55 C ATOM 1335 CD ARG A 90 37.704 13.225 3.382 1.00 14.45 C ATOM 1336 NE ARG A 90 36.916 14.412 3.068 1.00 17.08 N ATOM 1337 CZ ARG A 90 36.466 15.212 4.028 1.00 17.02 C ATOM 1338 NH1 ARG A 90 35.763 16.268 3.722 1.00 17.58 N ATOM 1339 NH2 ARG A 90 36.726 14.942 5.278 1.00 17.03 N ATOM 0 H ARG A 90 38.559 10.023 1.556 1.00 8.03 H new ATOM 0 HA ARG A 90 38.646 11.536 -0.826 1.00 8.76 H new ATOM 0 HB2 ARG A 90 37.557 13.167 0.460 1.00 8.74 H new ATOM 0 HB3 ARG A 90 37.183 11.721 1.378 1.00 8.74 H new ATOM 0 HG2 ARG A 90 39.483 12.260 2.622 1.00 13.55 H new ATOM 0 HG3 ARG A 90 39.228 13.876 1.994 1.00 13.55 H new ATOM 0 HD2 ARG A 90 37.046 12.364 3.502 1.00 14.45 H new ATOM 0 HD3 ARG A 90 38.222 13.364 4.331 1.00 14.45 H new ATOM 0 HE ARG A 90 36.707 14.631 2.094 1.00 17.08 H new ATOM 0 HH11 ARG A 90 35.559 16.479 2.745 1.00 17.58 H new ATOM 0 HH12 ARG A 90 35.418 16.882 4.460 1.00 17.58 H new ATOM 0 HH21 ARG A 90 37.275 14.116 5.518 1.00 17.03 H new ATOM 0 HH22 ARG A 90 36.380 15.557 6.015 1.00 17.03 H new ATOM 1353 N VAL A 91 41.268 11.706 1.039 1.00 7.00 N ATOM 1354 CA VAL A 91 42.607 12.273 1.157 1.00 6.43 C ATOM 1355 C VAL A 91 43.330 12.231 -0.186 1.00 6.80 C ATOM 1356 O VAL A 91 44.076 13.148 -0.528 1.00 5.87 O ATOM 1357 CB VAL A 91 43.413 11.493 2.197 1.00 6.46 C ATOM 1358 CG1 VAL A 91 44.908 11.698 1.943 1.00 7.40 C ATOM 1359 CG2 VAL A 91 43.061 12.000 3.597 1.00 7.82 C ATOM 0 H VAL A 91 41.106 10.876 1.609 1.00 7.00 H new ATOM 0 HA VAL A 91 42.514 13.312 1.472 1.00 6.43 H new ATOM 0 HB VAL A 91 43.174 10.432 2.122 1.00 6.46 H new ATOM 0 HG11 VAL A 91 45.483 11.142 2.684 1.00 7.40 H new ATOM 0 HG12 VAL A 91 45.160 11.339 0.945 1.00 7.40 H new ATOM 0 HG13 VAL A 91 45.148 12.759 2.019 1.00 7.40 H new ATOM 0 HG21 VAL A 91 43.634 11.445 4.340 1.00 7.82 H new ATOM 0 HG22 VAL A 91 43.301 13.061 3.671 1.00 7.82 H new ATOM 0 HG23 VAL A 91 41.996 11.856 3.779 1.00 7.82 H new ATOM 1369 N PHE A 92 43.105 11.161 -0.942 0.50 6.77 N ATOM 1370 CA PHE A 92 43.743 11.011 -2.245 0.50 7.12 C ATOM 1371 C PHE A 92 42.855 11.578 -3.348 0.50 7.91 C ATOM 1372 O PHE A 92 43.303 11.777 -4.477 0.50 9.11 O ATOM 1373 CB PHE A 92 44.022 9.533 -2.523 0.50 7.14 C ATOM 1374 CG PHE A 92 45.084 9.034 -1.573 0.50 4.87 C ATOM 1375 CD1 PHE A 92 46.314 8.588 -2.070 0.50 6.96 C ATOM 1376 CD2 PHE A 92 44.837 9.016 -0.195 0.50 4.32 C ATOM 1377 CE1 PHE A 92 47.299 8.124 -1.189 0.50 5.48 C ATOM 1378 CE2 PHE A 92 45.821 8.553 0.686 0.50 6.74 C ATOM 1379 CZ PHE A 92 47.052 8.107 0.189 0.50 6.55 C ATOM 0 H PHE A 92 42.491 10.391 -0.678 0.50 6.77 H new ATOM 0 HA PHE A 92 44.683 11.563 -2.232 0.50 7.12 H new ATOM 0 HB2 PHE A 92 43.109 8.951 -2.403 0.50 7.14 H new ATOM 0 HB3 PHE A 92 44.350 9.402 -3.554 0.50 7.14 H new ATOM 0 HD1 PHE A 92 46.504 8.602 -3.133 0.50 6.96 H new ATOM 0 HD2 PHE A 92 43.887 9.359 0.188 0.50 4.32 H new ATOM 0 HE1 PHE A 92 48.248 7.780 -1.572 0.50 5.48 H new ATOM 0 HE2 PHE A 92 45.631 8.540 1.749 0.50 6.74 H new ATOM 0 HZ PHE A 92 47.811 7.750 0.869 0.50 6.55 H new ATOM 1389 N ASP A 93 41.594 11.835 -3.016 1.00 8.87 N ATOM 1390 CA ASP A 93 40.654 12.378 -3.991 1.00 8.42 C ATOM 1391 C ASP A 93 40.605 13.900 -3.901 1.00 8.51 C ATOM 1392 O ASP A 93 39.602 14.474 -3.477 1.00 8.68 O ATOM 1393 CB ASP A 93 39.257 11.805 -3.744 1.00 9.10 C ATOM 1394 CG ASP A 93 38.390 11.997 -4.983 1.00 10.79 C ATOM 1395 OD1 ASP A 93 37.464 12.788 -4.917 1.00 11.11 O ATOM 1396 OD2 ASP A 93 38.665 11.349 -5.980 1.00 7.32 O ATOM 0 H ASP A 93 41.201 11.678 -2.088 1.00 8.87 H new ATOM 0 HA ASP A 93 40.992 12.096 -4.988 1.00 8.42 H new ATOM 0 HB2 ASP A 93 39.327 10.745 -3.500 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.798 12.300 -2.888 1.00 9.10 H new ATOM 1401 N LYS A 94 41.696 14.546 -4.297 1.00 9.41 N ATOM 1402 CA LYS A 94 41.771 16.003 -4.252 1.00 9.18 C ATOM 1403 C LYS A 94 40.539 16.634 -4.896 1.00 9.05 C ATOM 1404 O LYS A 94 40.171 17.763 -4.572 1.00 7.14 O ATOM 1405 CB LYS A 94 43.029 16.481 -4.980 1.00 9.58 C ATOM 1406 CG LYS A 94 43.694 17.596 -4.171 1.00 10.67 C ATOM 1407 CD LYS A 94 44.689 18.348 -5.058 1.00 11.93 C ATOM 1408 CE LYS A 94 44.964 19.729 -4.461 1.00 14.25 C ATOM 1409 NZ LYS A 94 45.069 19.617 -2.978 1.00 14.57 N ATOM 0 H LYS A 94 42.536 14.088 -4.651 1.00 9.41 H new ATOM 0 HA LYS A 94 41.812 16.310 -3.207 1.00 9.18 H new ATOM 0 HB2 LYS A 94 43.722 15.651 -5.113 1.00 9.58 H new ATOM 0 HB3 LYS A 94 42.771 16.844 -5.975 1.00 9.58 H new ATOM 0 HG2 LYS A 94 42.939 18.283 -3.790 1.00 10.67 H new ATOM 0 HG3 LYS A 94 44.207 17.176 -3.306 1.00 10.67 H new ATOM 0 HD2 LYS A 94 45.618 17.784 -5.139 1.00 11.93 H new ATOM 0 HD3 LYS A 94 44.288 18.450 -6.067 1.00 11.93 H new ATOM 0 HE2 LYS A 94 45.887 20.137 -4.872 1.00 14.25 H new ATOM 0 HE3 LYS A 94 44.164 20.419 -4.729 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 45.605 20.427 -2.606 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 44.116 19.612 -2.562 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 45.559 18.734 -2.730 1.00 14.57 H new ATOM 1423 N ASP A 95 39.905 15.904 -5.809 1.00 7.02 N ATOM 1424 CA ASP A 95 38.718 16.413 -6.489 1.00 7.13 C ATOM 1425 C ASP A 95 37.506 16.366 -5.564 1.00 6.43 C ATOM 1426 O ASP A 95 36.478 16.985 -5.839 1.00 4.43 O ATOM 1427 CB ASP A 95 38.438 15.583 -7.743 1.00 6.49 C ATOM 1428 CG ASP A 95 39.750 15.189 -8.412 1.00 8.86 C ATOM 1429 OD1 ASP A 95 40.577 14.591 -7.744 1.00 6.70 O ATOM 1430 OD2 ASP A 95 39.909 15.492 -9.583 1.00 10.20 O ATOM 0 H ASP A 95 40.190 14.967 -6.093 1.00 7.02 H new ATOM 0 HA ASP A 95 38.903 17.449 -6.773 1.00 7.13 H new ATOM 0 HB2 ASP A 95 37.872 14.689 -7.479 1.00 6.49 H new ATOM 0 HB3 ASP A 95 37.823 16.155 -8.438 1.00 6.49 H new ATOM 1435 N GLY A 96 37.635 15.628 -4.468 1.00 5.66 N ATOM 1436 CA GLY A 96 36.546 15.504 -3.506 1.00 5.97 C ATOM 1437 C GLY A 96 35.308 14.894 -4.155 1.00 6.08 C ATOM 1438 O GLY A 96 34.232 14.868 -3.557 1.00 6.24 O ATOM 0 H GLY A 96 38.478 15.109 -4.224 1.00 5.66 H new ATOM 0 HA2 GLY A 96 36.865 14.883 -2.669 1.00 5.97 H new ATOM 0 HA3 GLY A 96 36.302 16.486 -3.100 1.00 5.97 H new ATOM 1442 N ASN A 97 35.466 14.401 -5.379 1.00 6.39 N ATOM 1443 CA ASN A 97 34.352 13.790 -6.094 1.00 5.87 C ATOM 1444 C ASN A 97 33.960 12.471 -5.436 1.00 5.88 C ATOM 1445 O ASN A 97 33.009 11.812 -5.857 1.00 5.75 O ATOM 1446 CB ASN A 97 34.738 13.541 -7.553 1.00 5.90 C ATOM 1447 CG ASN A 97 35.694 12.356 -7.645 1.00 4.39 C ATOM 1448 OD1 ASN A 97 36.332 11.994 -6.657 1.00 7.56 O ATOM 1449 ND2 ASN A 97 35.831 11.726 -8.780 1.00 7.07 N ATOM 0 H ASN A 97 36.347 14.412 -5.893 1.00 6.39 H new ATOM 0 HA ASN A 97 33.502 14.471 -6.058 1.00 5.87 H new ATOM 0 HB2 ASN A 97 33.845 13.345 -8.146 1.00 5.90 H new ATOM 0 HB3 ASN A 97 35.208 14.431 -7.970 1.00 5.90 H new ATOM 0 HD21 ASN A 97 36.468 10.932 -8.849 1.00 7.07 H new ATOM 0 HD22 ASN A 97 35.301 12.028 -9.598 1.00 7.07 H new ATOM 1456 N GLY A 98 34.701 12.096 -4.399 1.00 6.14 N ATOM 1457 CA GLY A 98 34.428 10.855 -3.683 1.00 6.32 C ATOM 1458 C GLY A 98 34.693 9.644 -4.570 1.00 7.08 C ATOM 1459 O GLY A 98 34.337 8.518 -4.221 1.00 6.67 O ATOM 0 H GLY A 98 35.491 12.630 -4.037 1.00 6.14 H new ATOM 0 HA2 GLY A 98 35.052 10.801 -2.791 1.00 6.32 H new ATOM 0 HA3 GLY A 98 33.391 10.845 -3.348 1.00 6.32 H new ATOM 1463 N TYR A 99 35.321 9.881 -5.717 0.50 7.47 N ATOM 1464 CA TYR A 99 35.629 8.800 -6.646 0.50 7.60 C ATOM 1465 C TYR A 99 37.103 8.832 -7.036 0.50 7.45 C ATOM 1466 O TYR A 99 37.657 9.895 -7.320 0.50 7.71 O ATOM 1467 CB TYR A 99 34.764 8.926 -7.901 0.50 7.79 C ATOM 1468 CG TYR A 99 33.445 9.567 -7.543 0.50 7.27 C ATOM 1469 CD1 TYR A 99 32.998 10.690 -8.250 0.50 9.00 C ATOM 1470 CD2 TYR A 99 32.668 9.039 -6.505 0.50 6.58 C ATOM 1471 CE1 TYR A 99 31.774 11.284 -7.919 0.50 5.79 C ATOM 1472 CE2 TYR A 99 31.445 9.633 -6.174 0.50 6.90 C ATOM 1473 CZ TYR A 99 30.998 10.756 -6.881 0.50 6.97 C ATOM 1474 OH TYR A 99 29.792 11.342 -6.554 0.50 5.02 O ATOM 0 H TYR A 99 35.625 10.805 -6.024 0.50 7.47 H new ATOM 0 HA TYR A 99 35.416 7.852 -6.153 0.50 7.60 H new ATOM 0 HB2 TYR A 99 35.279 9.525 -8.652 0.50 7.79 H new ATOM 0 HB3 TYR A 99 34.595 7.942 -8.339 0.50 7.79 H new ATOM 0 HD1 TYR A 99 33.597 11.098 -9.051 0.50 9.00 H new ATOM 0 HD2 TYR A 99 33.013 8.173 -5.960 0.50 6.58 H new ATOM 0 HE1 TYR A 99 31.429 12.150 -8.465 0.50 5.79 H new ATOM 0 HE2 TYR A 99 30.846 9.225 -5.373 0.50 6.90 H new ATOM 0 HH TYR A 99 29.380 10.851 -5.812 0.50 5.02 H new ATOM 1484 N ILE A 100 37.733 7.662 -7.050 1.00 6.94 N ATOM 1485 CA ILE A 100 39.143 7.568 -7.409 1.00 6.30 C ATOM 1486 C ILE A 100 39.328 6.646 -8.611 1.00 6.51 C ATOM 1487 O ILE A 100 39.095 5.441 -8.522 1.00 6.57 O ATOM 1488 CB ILE A 100 39.949 7.033 -6.225 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.975 8.082 -5.111 1.00 9.03 C ATOM 1490 CG2 ILE A 100 41.381 6.734 -6.674 1.00 4.76 C ATOM 1491 CD1 ILE A 100 40.844 7.581 -3.956 1.00 9.29 C ATOM 0 H ILE A 100 37.293 6.771 -6.819 1.00 6.94 H new ATOM 0 HA ILE A 100 39.500 8.564 -7.670 1.00 6.30 H new ATOM 0 HB ILE A 100 39.486 6.118 -5.855 1.00 5.54 H new ATOM 0 HG12 ILE A 100 40.368 9.024 -5.493 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.962 8.279 -4.759 1.00 9.03 H new ATOM 0 HG21 ILE A 100 41.955 6.353 -5.829 1.00 4.76 H new ATOM 0 HG22 ILE A 100 41.365 5.988 -7.468 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.845 7.648 -7.044 1.00 4.76 H new ATOM 0 HD11 ILE A 100 40.862 8.329 -3.163 1.00 9.29 H new ATOM 0 HD12 ILE A 100 40.431 6.650 -3.567 1.00 9.29 H new ATOM 0 HD13 ILE A 100 41.859 7.407 -4.313 1.00 9.29 H new ATOM 1503 N SER A 101 39.747 7.222 -9.733 1.00 6.74 N ATOM 1504 CA SER A 101 39.957 6.440 -10.947 1.00 4.65 C ATOM 1505 C SER A 101 41.383 5.900 -11.000 1.00 3.97 C ATOM 1506 O SER A 101 42.306 6.499 -10.448 1.00 7.02 O ATOM 1507 CB SER A 101 39.693 7.308 -12.178 1.00 3.29 C ATOM 1508 OG SER A 101 38.416 7.920 -12.055 1.00 2.08 O ATOM 0 H SER A 101 39.946 8.218 -9.828 1.00 6.74 H new ATOM 0 HA SER A 101 39.264 5.599 -10.938 1.00 4.65 H new ATOM 0 HB2 SER A 101 40.467 8.070 -12.273 1.00 3.29 H new ATOM 0 HB3 SER A 101 39.732 6.700 -13.082 1.00 3.29 H new ATOM 0 HG SER A 101 38.369 8.700 -12.647 1.00 2.08 H new ATOM 1514 N ALA A 102 41.553 4.765 -11.669 1.00 4.02 N ATOM 1515 CA ALA A 102 42.870 4.149 -11.790 1.00 4.82 C ATOM 1516 C ALA A 102 43.903 5.178 -12.237 1.00 5.07 C ATOM 1517 O ALA A 102 45.106 4.980 -12.064 1.00 6.41 O ATOM 1518 CB ALA A 102 42.819 3.003 -12.802 1.00 4.55 C ATOM 0 H ALA A 102 40.801 4.255 -12.133 1.00 4.02 H new ATOM 0 HA ALA A 102 43.160 3.760 -10.814 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.806 2.548 -12.887 1.00 4.55 H new ATOM 0 HB2 ALA A 102 42.102 2.254 -12.467 1.00 4.55 H new ATOM 0 HB3 ALA A 102 42.513 3.389 -13.774 1.00 4.55 H new ATOM 1524 N ALA A 103 43.427 6.278 -12.812 1.00 4.46 N ATOM 1525 CA ALA A 103 44.320 7.332 -13.279 1.00 3.90 C ATOM 1526 C ALA A 103 44.874 8.127 -12.102 1.00 3.42 C ATOM 1527 O ALA A 103 46.085 8.306 -11.976 1.00 5.01 O ATOM 1528 CB ALA A 103 43.568 8.272 -14.224 1.00 4.16 C ATOM 0 H ALA A 103 42.435 6.462 -12.965 1.00 4.46 H new ATOM 0 HA ALA A 103 45.151 6.869 -13.812 1.00 3.90 H new ATOM 0 HB1 ALA A 103 44.241 9.057 -14.569 1.00 4.16 H new ATOM 0 HB2 ALA A 103 43.199 7.708 -15.081 1.00 4.16 H new ATOM 0 HB3 ALA A 103 42.727 8.722 -13.696 1.00 4.16 H new ATOM 1534 N GLU A 104 43.979 8.601 -11.241 1.00 2.38 N ATOM 1535 CA GLU A 104 44.390 9.376 -10.076 1.00 2.94 C ATOM 1536 C GLU A 104 45.200 8.512 -9.116 1.00 3.92 C ATOM 1537 O GLU A 104 46.291 8.895 -8.691 1.00 4.76 O ATOM 1538 CB GLU A 104 43.158 9.928 -9.355 1.00 4.89 C ATOM 1539 CG GLU A 104 42.383 10.848 -10.299 1.00 2.54 C ATOM 1540 CD GLU A 104 40.922 10.926 -9.868 1.00 5.28 C ATOM 1541 OE1 GLU A 104 40.479 10.020 -9.181 1.00 6.84 O ATOM 1542 OE2 GLU A 104 40.268 11.890 -10.230 1.00 5.84 O ATOM 0 H GLU A 104 42.972 8.463 -11.327 1.00 2.38 H new ATOM 0 HA GLU A 104 45.013 10.204 -10.415 1.00 2.94 H new ATOM 0 HB2 GLU A 104 42.520 9.109 -9.024 1.00 4.89 H new ATOM 0 HB3 GLU A 104 43.461 10.477 -8.463 1.00 4.89 H new ATOM 0 HG2 GLU A 104 42.826 11.844 -10.294 1.00 2.54 H new ATOM 0 HG3 GLU A 104 42.450 10.474 -11.321 1.00 2.54 H new ATOM 1549 N LEU A 105 44.661 7.346 -8.777 1.00 4.80 N ATOM 1550 CA LEU A 105 45.343 6.435 -7.865 1.00 3.86 C ATOM 1551 C LEU A 105 46.803 6.264 -8.273 1.00 4.38 C ATOM 1552 O LEU A 105 47.707 6.383 -7.445 1.00 3.99 O ATOM 1553 CB LEU A 105 44.647 5.073 -7.868 1.00 3.53 C ATOM 1554 CG LEU A 105 45.403 4.111 -6.950 1.00 4.12 C ATOM 1555 CD1 LEU A 105 45.587 4.755 -5.575 1.00 4.73 C ATOM 1556 CD2 LEU A 105 44.602 2.815 -6.802 1.00 4.99 C ATOM 0 H LEU A 105 43.760 7.011 -9.117 1.00 4.80 H new ATOM 0 HA LEU A 105 45.304 6.859 -6.862 1.00 3.86 H new ATOM 0 HB2 LEU A 105 43.616 5.179 -7.531 1.00 3.53 H new ATOM 0 HB3 LEU A 105 44.612 4.673 -8.881 1.00 3.53 H new ATOM 0 HG LEU A 105 46.380 3.890 -7.381 1.00 4.12 H new ATOM 0 HD11 LEU A 105 46.126 4.069 -4.921 1.00 4.73 H new ATOM 0 HD12 LEU A 105 46.156 5.679 -5.679 1.00 4.73 H new ATOM 0 HD13 LEU A 105 44.611 4.976 -5.143 1.00 4.73 H new ATOM 0 HD21 LEU A 105 45.139 2.128 -6.148 1.00 4.99 H new ATOM 0 HD22 LEU A 105 43.626 3.038 -6.371 1.00 4.99 H new ATOM 0 HD23 LEU A 105 44.470 2.355 -7.781 1.00 4.99 H new ATOM 1568 N ARG A 106 47.026 5.984 -9.553 1.00 3.11 N ATOM 1569 CA ARG A 106 48.381 5.798 -10.058 1.00 5.25 C ATOM 1570 C ARG A 106 49.157 7.110 -10.003 1.00 4.62 C ATOM 1571 O ARG A 106 50.386 7.113 -9.930 1.00 4.29 O ATOM 1572 CB ARG A 106 48.336 5.290 -11.501 1.00 5.02 C ATOM 1573 CG ARG A 106 49.676 4.642 -11.856 1.00 5.93 C ATOM 1574 CD ARG A 106 49.847 4.625 -13.376 1.00 8.89 C ATOM 1575 NE ARG A 106 50.631 5.776 -13.809 1.00 11.71 N ATOM 1576 CZ ARG A 106 50.042 6.906 -14.184 1.00 13.93 C ATOM 1577 NH1 ARG A 106 50.765 7.923 -14.568 1.00 15.02 N ATOM 1578 NH2 ARG A 106 48.741 7.000 -14.169 1.00 15.24 N ATOM 0 H ARG A 106 46.292 5.882 -10.254 1.00 3.11 H new ATOM 0 HA ARG A 106 48.885 5.063 -9.430 1.00 5.25 H new ATOM 0 HB2 ARG A 106 47.528 4.568 -11.618 1.00 5.02 H new ATOM 0 HB3 ARG A 106 48.127 6.115 -12.182 1.00 5.02 H new ATOM 0 HG2 ARG A 106 50.493 5.195 -11.393 1.00 5.93 H new ATOM 0 HG3 ARG A 106 49.716 3.626 -11.463 1.00 5.93 H new ATOM 0 HD2 ARG A 106 50.341 3.703 -13.683 1.00 8.89 H new ATOM 0 HD3 ARG A 106 48.870 4.639 -13.859 1.00 8.89 H new ATOM 0 HE ARG A 106 51.649 5.712 -13.824 1.00 11.71 H new ATOM 0 HH11 ARG A 106 51.782 7.850 -14.580 1.00 15.02 H new ATOM 0 HH12 ARG A 106 50.313 8.791 -14.856 1.00 15.02 H new ATOM 0 HH21 ARG A 106 48.176 6.206 -13.869 1.00 15.24 H new ATOM 0 HH22 ARG A 106 48.289 7.868 -14.457 1.00 15.24 H new ATOM 1592 N HIS A 107 48.431 8.223 -10.037 1.00 5.92 N ATOM 1593 CA HIS A 107 49.062 9.537 -9.990 1.00 8.12 C ATOM 1594 C HIS A 107 49.814 9.722 -8.675 1.00 8.85 C ATOM 1595 O HIS A 107 50.992 10.080 -8.668 1.00 9.30 O ATOM 1596 CB HIS A 107 48.002 10.630 -10.133 1.00 10.37 C ATOM 1597 CG HIS A 107 48.629 11.861 -10.729 1.00 10.94 C ATOM 1598 ND1 HIS A 107 49.813 11.813 -11.448 1.00 14.82 N ATOM 1599 CD2 HIS A 107 48.248 13.180 -10.722 1.00 14.65 C ATOM 1600 CE1 HIS A 107 50.101 13.068 -11.840 1.00 15.69 C ATOM 1601 NE2 HIS A 107 49.179 13.940 -11.424 1.00 15.65 N ATOM 0 H HIS A 107 47.413 8.242 -10.096 1.00 5.92 H new ATOM 0 HA HIS A 107 49.771 9.610 -10.815 1.00 8.12 H new ATOM 0 HB2 HIS A 107 47.187 10.281 -10.767 1.00 10.37 H new ATOM 0 HB3 HIS A 107 47.571 10.863 -9.159 1.00 10.37 H new ATOM 0 HD2 HIS A 107 47.361 13.569 -10.244 1.00 14.65 H new ATOM 0 HE1 HIS A 107 50.971 13.337 -12.420 1.00 15.69 H new ATOM 0 HE2 HIS A 107 49.161 14.947 -11.586 1.00 15.65 H new ATOM 1610 N VAL A 108 49.125 9.477 -7.566 1.00 9.44 N ATOM 1611 CA VAL A 108 49.738 9.620 -6.250 1.00 9.72 C ATOM 1612 C VAL A 108 50.889 8.634 -6.086 1.00 9.70 C ATOM 1613 O VAL A 108 52.042 9.033 -5.919 1.00 10.80 O ATOM 1614 CB VAL A 108 48.695 9.375 -5.159 1.00 9.77 C ATOM 1615 CG1 VAL A 108 49.399 9.146 -3.821 1.00 8.84 C ATOM 1616 CG2 VAL A 108 47.776 10.594 -5.048 1.00 12.28 C ATOM 0 H VAL A 108 48.149 9.181 -7.551 1.00 9.44 H new ATOM 0 HA VAL A 108 50.127 10.634 -6.159 1.00 9.72 H new ATOM 0 HB VAL A 108 48.104 8.495 -5.414 1.00 9.77 H new ATOM 0 HG11 VAL A 108 48.655 8.971 -3.044 1.00 8.84 H new ATOM 0 HG12 VAL A 108 50.054 8.278 -3.898 1.00 8.84 H new ATOM 0 HG13 VAL A 108 49.991 10.025 -3.566 1.00 8.84 H new ATOM 0 HG21 VAL A 108 47.032 10.419 -4.270 1.00 12.28 H new ATOM 0 HG22 VAL A 108 48.367 11.474 -4.794 1.00 12.28 H new ATOM 0 HG23 VAL A 108 47.273 10.758 -6.001 1.00 12.28 H new ATOM 1626 N MET A 109 50.569 7.345 -6.135 0.50 9.38 N ATOM 1627 CA MET A 109 51.584 6.309 -5.990 0.50 9.31 C ATOM 1628 C MET A 109 52.780 6.596 -6.891 0.50 9.50 C ATOM 1629 O MET A 109 53.921 6.296 -6.539 0.50 9.53 O ATOM 1630 CB MET A 109 50.991 4.944 -6.346 0.50 8.72 C ATOM 1631 CG MET A 109 50.019 4.507 -5.248 0.50 8.81 C ATOM 1632 SD MET A 109 50.948 4.095 -3.750 0.50 6.87 S ATOM 1633 CE MET A 109 49.524 3.870 -2.655 0.50 6.63 C ATOM 0 H MET A 109 49.621 6.995 -6.273 0.50 9.38 H new ATOM 0 HA MET A 109 51.920 6.301 -4.953 0.50 9.31 H new ATOM 0 HB2 MET A 109 50.473 4.999 -7.304 0.50 8.72 H new ATOM 0 HB3 MET A 109 51.787 4.207 -6.456 0.50 8.72 H new ATOM 0 HG2 MET A 109 49.307 5.305 -5.039 0.50 8.81 H new ATOM 0 HG3 MET A 109 49.442 3.644 -5.580 0.50 8.81 H new ATOM 0 HE1 MET A 109 49.871 3.605 -1.656 0.50 6.63 H new ATOM 0 HE2 MET A 109 48.952 4.797 -2.607 0.50 6.63 H new ATOM 0 HE3 MET A 109 48.890 3.072 -3.042 0.50 6.63 H new ATOM 1643 N THR A 110 52.513 7.177 -8.056 1.00 10.17 N ATOM 1644 CA THR A 110 53.578 7.497 -9.000 1.00 11.15 C ATOM 1645 C THR A 110 54.548 8.507 -8.395 1.00 11.87 C ATOM 1646 O THR A 110 55.755 8.271 -8.347 1.00 11.30 O ATOM 1647 CB THR A 110 52.980 8.069 -10.288 1.00 11.33 C ATOM 1648 OG1 THR A 110 52.330 7.030 -11.007 1.00 9.45 O ATOM 1649 CG2 THR A 110 54.094 8.668 -11.148 1.00 11.67 C ATOM 0 H THR A 110 51.576 7.434 -8.368 1.00 10.17 H new ATOM 0 HA THR A 110 54.122 6.580 -9.227 1.00 11.15 H new ATOM 0 HB THR A 110 52.258 8.847 -10.040 1.00 11.33 H new ATOM 0 HG1 THR A 110 51.359 7.134 -10.926 1.00 9.45 H new ATOM 0 HG21 THR A 110 53.667 9.075 -12.065 1.00 11.67 H new ATOM 0 HG22 THR A 110 54.592 9.464 -10.595 1.00 11.67 H new ATOM 0 HG23 THR A 110 54.818 7.892 -11.398 1.00 11.67 H new ATOM 1657 N ASN A 111 54.013 9.634 -7.936 1.00 13.42 N ATOM 1658 CA ASN A 111 54.843 10.673 -7.337 1.00 14.75 C ATOM 1659 C ASN A 111 55.111 10.366 -5.868 1.00 15.38 C ATOM 1660 O ASN A 111 55.945 11.010 -5.231 1.00 14.61 O ATOM 1661 CB ASN A 111 54.147 12.031 -7.458 1.00 15.43 C ATOM 1662 CG ASN A 111 54.518 12.690 -8.782 1.00 16.39 C ATOM 1663 OD1 ASN A 111 53.652 12.913 -9.629 1.00 19.90 O ATOM 1664 ND2 ASN A 111 55.760 13.018 -9.013 1.00 21.65 N ATOM 0 H ASN A 111 53.017 9.850 -7.967 1.00 13.42 H new ATOM 0 HA ASN A 111 55.794 10.703 -7.869 1.00 14.75 H new ATOM 0 HB2 ASN A 111 53.066 11.902 -7.397 1.00 15.43 H new ATOM 0 HB3 ASN A 111 54.439 12.674 -6.628 1.00 15.43 H new ATOM 0 HD21 ASN A 111 56.015 13.460 -9.896 1.00 21.65 H new ATOM 0 HD22 ASN A 111 56.476 12.832 -8.310 1.00 21.65 H new ATOM 1671 N LEU A 112 54.398 9.379 -5.335 1.00 15.51 N ATOM 1672 CA LEU A 112 54.568 8.996 -3.938 1.00 17.09 C ATOM 1673 C LEU A 112 55.960 8.416 -3.707 1.00 17.64 C ATOM 1674 O LEU A 112 56.394 8.256 -2.567 1.00 19.20 O ATOM 1675 CB LEU A 112 53.509 7.962 -3.548 1.00 17.55 C ATOM 1676 CG LEU A 112 53.471 7.813 -2.027 1.00 18.70 C ATOM 1677 CD1 LEU A 112 53.128 9.160 -1.387 1.00 19.41 C ATOM 1678 CD2 LEU A 112 52.404 6.784 -1.645 1.00 19.55 C ATOM 0 H LEU A 112 53.702 8.834 -5.844 1.00 15.51 H new ATOM 0 HA LEU A 112 54.451 9.886 -3.319 1.00 17.09 H new ATOM 0 HB2 LEU A 112 52.531 8.271 -3.917 1.00 17.55 H new ATOM 0 HB3 LEU A 112 53.736 7.002 -4.012 1.00 17.55 H new ATOM 0 HG LEU A 112 54.446 7.481 -1.671 1.00 18.70 H new ATOM 0 HD11 LEU A 112 53.101 9.051 -0.303 1.00 19.41 H new ATOM 0 HD12 LEU A 112 53.885 9.896 -1.660 1.00 19.41 H new ATOM 0 HD13 LEU A 112 52.153 9.494 -1.742 1.00 19.41 H new ATOM 0 HD21 LEU A 112 52.375 6.676 -0.561 1.00 19.55 H new ATOM 0 HD22 LEU A 112 51.431 7.119 -2.003 1.00 19.55 H new ATOM 0 HD23 LEU A 112 52.646 5.823 -2.099 1.00 19.55 H new ATOM 1690 N GLY A 113 56.654 8.105 -4.797 1.00 18.31 N ATOM 1691 CA GLY A 113 57.997 7.545 -4.701 1.00 18.73 C ATOM 1692 C GLY A 113 58.029 6.111 -5.218 1.00 19.38 C ATOM 1693 O GLY A 113 59.093 5.502 -5.322 1.00 19.66 O ATOM 0 H GLY A 113 56.312 8.230 -5.750 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.692 8.158 -5.275 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.332 7.569 -3.664 1.00 18.73 H new ATOM 1697 N GLU A 114 56.856 5.578 -5.544 1.00 20.03 N ATOM 1698 CA GLU A 114 56.762 4.214 -6.051 1.00 20.93 C ATOM 1699 C GLU A 114 56.052 4.193 -7.401 1.00 21.67 C ATOM 1700 O GLU A 114 54.873 4.532 -7.498 1.00 21.82 O ATOM 1701 CB GLU A 114 55.998 3.338 -5.057 1.00 21.58 C ATOM 1702 CG GLU A 114 56.726 3.338 -3.711 1.00 22.38 C ATOM 1703 CD GLU A 114 56.700 1.939 -3.104 1.00 22.95 C ATOM 1704 OE1 GLU A 114 55.616 1.462 -2.811 1.00 21.15 O ATOM 1705 OE2 GLU A 114 57.764 1.366 -2.941 1.00 25.55 O ATOM 0 H GLU A 114 55.963 6.066 -5.467 1.00 20.03 H new ATOM 0 HA GLU A 114 57.772 3.823 -6.177 1.00 20.93 H new ATOM 0 HB2 GLU A 114 54.982 3.712 -4.933 1.00 21.58 H new ATOM 0 HB3 GLU A 114 55.918 2.320 -5.439 1.00 21.58 H new ATOM 0 HG2 GLU A 114 57.757 3.666 -3.846 1.00 22.38 H new ATOM 0 HG3 GLU A 114 56.252 4.047 -3.032 1.00 22.38 H new ATOM 1712 N LYS A 115 56.777 3.793 -8.441 1.00 21.94 N ATOM 1713 CA LYS A 115 56.203 3.733 -9.781 1.00 21.97 C ATOM 1714 C LYS A 115 55.372 2.466 -9.950 1.00 21.51 C ATOM 1715 O LYS A 115 55.891 1.354 -9.855 1.00 21.04 O ATOM 1716 CB LYS A 115 57.318 3.758 -10.828 1.00 22.09 C ATOM 1717 CG LYS A 115 58.250 4.941 -10.555 1.00 22.07 C ATOM 1718 CD LYS A 115 59.658 4.608 -11.051 1.00 22.17 C ATOM 1719 CE LYS A 115 60.505 5.881 -11.078 1.00 22.19 C ATOM 1720 NZ LYS A 115 61.782 5.613 -11.798 1.00 23.26 N ATOM 0 H LYS A 115 57.755 3.508 -8.383 1.00 21.94 H new ATOM 0 HA LYS A 115 55.556 4.600 -9.919 1.00 21.97 H new ATOM 0 HB2 LYS A 115 57.880 2.825 -10.798 1.00 22.09 H new ATOM 0 HB3 LYS A 115 56.891 3.841 -11.827 1.00 22.09 H new ATOM 0 HG2 LYS A 115 57.878 5.834 -11.057 1.00 22.07 H new ATOM 0 HG3 LYS A 115 58.272 5.161 -9.488 1.00 22.07 H new ATOM 0 HD2 LYS A 115 60.119 3.866 -10.399 1.00 22.17 H new ATOM 0 HD3 LYS A 115 59.610 4.170 -12.048 1.00 22.17 H new ATOM 0 HE2 LYS A 115 59.958 6.684 -11.572 1.00 22.19 H new ATOM 0 HE3 LYS A 115 60.712 6.215 -10.061 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 62.358 6.479 -11.817 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 62.305 4.859 -11.308 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 61.575 5.314 -12.772 1.00 23.26 H new ATOM 1734 N LEU A 116 54.079 2.642 -10.202 1.00 20.82 N ATOM 1735 CA LEU A 116 53.184 1.504 -10.383 1.00 20.59 C ATOM 1736 C LEU A 116 52.715 1.417 -11.832 1.00 20.06 C ATOM 1737 O LEU A 116 52.562 2.435 -12.507 1.00 20.89 O ATOM 1738 CB LEU A 116 51.973 1.641 -9.459 1.00 21.31 C ATOM 1739 CG LEU A 116 52.191 0.797 -8.203 1.00 21.00 C ATOM 1740 CD1 LEU A 116 51.445 1.430 -7.027 1.00 23.07 C ATOM 1741 CD2 LEU A 116 51.660 -0.618 -8.441 1.00 20.55 C ATOM 0 H LEU A 116 53.630 3.554 -10.285 1.00 20.82 H new ATOM 0 HA LEU A 116 53.729 0.593 -10.135 1.00 20.59 H new ATOM 0 HB2 LEU A 116 51.827 2.686 -9.187 1.00 21.31 H new ATOM 0 HB3 LEU A 116 51.070 1.317 -9.976 1.00 21.31 H new ATOM 0 HG LEU A 116 53.256 0.752 -7.976 1.00 21.00 H new ATOM 0 HD11 LEU A 116 51.600 0.828 -6.131 1.00 23.07 H new ATOM 0 HD12 LEU A 116 51.823 2.438 -6.857 1.00 23.07 H new ATOM 0 HD13 LEU A 116 50.380 1.475 -7.254 1.00 23.07 H new ATOM 0 HD21 LEU A 116 51.815 -1.220 -7.546 1.00 20.55 H new ATOM 0 HD22 LEU A 116 50.595 -0.573 -8.668 1.00 20.55 H new ATOM 0 HD23 LEU A 116 52.191 -1.070 -9.279 1.00 20.55 H new ATOM 1753 N THR A 117 52.488 0.195 -12.303 1.00 19.20 N ATOM 1754 CA THR A 117 52.036 -0.013 -13.673 1.00 18.69 C ATOM 1755 C THR A 117 50.524 0.162 -13.771 1.00 18.35 C ATOM 1756 O THR A 117 49.794 -0.124 -12.822 1.00 17.96 O ATOM 1757 CB THR A 117 52.421 -1.418 -14.143 1.00 18.94 C ATOM 1758 OG1 THR A 117 51.491 -2.359 -13.625 1.00 18.27 O ATOM 1759 CG2 THR A 117 53.826 -1.758 -13.644 1.00 19.41 C ATOM 0 H THR A 117 52.609 -0.660 -11.760 1.00 19.20 H new ATOM 0 HA THR A 117 52.518 0.728 -14.311 1.00 18.69 H new ATOM 0 HB THR A 117 52.407 -1.454 -15.232 1.00 18.94 H new ATOM 0 HG1 THR A 117 51.636 -3.230 -14.050 1.00 18.27 H new ATOM 0 HG21 THR A 117 54.099 -2.759 -13.979 1.00 19.41 H new ATOM 0 HG22 THR A 117 54.538 -1.035 -14.042 1.00 19.41 H new ATOM 0 HG23 THR A 117 53.844 -1.723 -12.555 1.00 19.41 H new ATOM 1767 N ASP A 118 50.061 0.632 -14.925 1.00 17.78 N ATOM 1768 CA ASP A 118 48.633 0.841 -15.135 1.00 17.28 C ATOM 1769 C ASP A 118 47.902 -0.495 -15.214 1.00 16.94 C ATOM 1770 O ASP A 118 46.762 -0.618 -14.765 1.00 16.90 O ATOM 1771 CB ASP A 118 48.405 1.627 -16.428 1.00 17.45 C ATOM 1772 CG ASP A 118 49.569 2.582 -16.669 1.00 17.24 C ATOM 1773 OD1 ASP A 118 50.454 2.225 -17.429 1.00 16.95 O ATOM 1774 OD2 ASP A 118 49.558 3.656 -16.091 1.00 18.08 O ATOM 0 H ASP A 118 50.648 0.874 -15.723 1.00 17.78 H new ATOM 0 HA ASP A 118 48.240 1.408 -14.291 1.00 17.28 H new ATOM 0 HB2 ASP A 118 48.307 0.940 -17.269 1.00 17.45 H new ATOM 0 HB3 ASP A 118 47.472 2.187 -16.364 1.00 17.45 H new ATOM 1779 N GLU A 119 48.565 -1.494 -15.787 1.00 16.47 N ATOM 1780 CA GLU A 119 47.968 -2.818 -15.919 1.00 16.08 C ATOM 1781 C GLU A 119 47.695 -3.422 -14.546 1.00 15.00 C ATOM 1782 O GLU A 119 46.588 -3.884 -14.269 1.00 14.51 O ATOM 1783 CB GLU A 119 48.904 -3.737 -16.707 1.00 16.34 C ATOM 1784 CG GLU A 119 48.078 -4.664 -17.600 1.00 17.65 C ATOM 1785 CD GLU A 119 47.275 -5.635 -16.742 1.00 18.58 C ATOM 1786 OE1 GLU A 119 46.146 -5.921 -17.104 1.00 18.43 O ATOM 1787 OE2 GLU A 119 47.801 -6.079 -15.734 1.00 20.16 O ATOM 0 H GLU A 119 49.509 -1.413 -16.165 1.00 16.47 H new ATOM 0 HA GLU A 119 47.023 -2.718 -16.453 1.00 16.08 H new ATOM 0 HB2 GLU A 119 49.587 -3.143 -17.315 1.00 16.34 H new ATOM 0 HB3 GLU A 119 49.515 -4.324 -16.022 1.00 16.34 H new ATOM 0 HG2 GLU A 119 47.406 -4.076 -18.225 1.00 17.65 H new ATOM 0 HG3 GLU A 119 48.735 -5.217 -18.271 1.00 17.65 H new ATOM 1794 N GLU A 120 48.712 -3.416 -13.689 1.00 14.19 N ATOM 1795 CA GLU A 120 48.570 -3.967 -12.347 1.00 13.46 C ATOM 1796 C GLU A 120 47.514 -3.197 -11.560 1.00 13.34 C ATOM 1797 O GLU A 120 46.625 -3.791 -10.949 1.00 13.03 O ATOM 1798 CB GLU A 120 49.909 -3.899 -11.610 1.00 13.02 C ATOM 1799 CG GLU A 120 49.923 -4.929 -10.479 1.00 11.76 C ATOM 1800 CD GLU A 120 51.337 -5.079 -9.928 1.00 11.68 C ATOM 1801 OE1 GLU A 120 51.561 -4.662 -8.804 1.00 7.04 O ATOM 1802 OE2 GLU A 120 52.175 -5.610 -10.639 1.00 10.77 O ATOM 0 H GLU A 120 49.636 -3.039 -13.898 1.00 14.19 H new ATOM 0 HA GLU A 120 48.255 -5.007 -12.433 1.00 13.46 H new ATOM 0 HB2 GLU A 120 50.728 -4.093 -12.303 1.00 13.02 H new ATOM 0 HB3 GLU A 120 50.064 -2.898 -11.207 1.00 13.02 H new ATOM 0 HG2 GLU A 120 49.245 -4.618 -9.684 1.00 11.76 H new ATOM 0 HG3 GLU A 120 49.563 -5.890 -10.847 1.00 11.76 H new ATOM 1809 N VAL A 121 47.618 -1.872 -11.580 1.00 13.10 N ATOM 1810 CA VAL A 121 46.665 -1.030 -10.865 1.00 12.97 C ATOM 1811 C VAL A 121 45.269 -1.176 -11.461 1.00 12.84 C ATOM 1812 O VAL A 121 44.273 -1.183 -10.738 1.00 13.10 O ATOM 1813 CB VAL A 121 47.104 0.433 -10.939 1.00 13.08 C ATOM 1814 CG1 VAL A 121 46.067 1.313 -10.238 1.00 12.21 C ATOM 1815 CG2 VAL A 121 48.459 0.594 -10.246 1.00 14.97 C ATOM 0 H VAL A 121 48.346 -1.361 -12.079 1.00 13.10 H new ATOM 0 HA VAL A 121 46.637 -1.348 -9.823 1.00 12.97 H new ATOM 0 HB VAL A 121 47.190 0.734 -11.983 1.00 13.08 H new ATOM 0 HG11 VAL A 121 46.380 2.356 -10.291 1.00 12.21 H new ATOM 0 HG12 VAL A 121 45.101 1.199 -10.729 1.00 12.21 H new ATOM 0 HG13 VAL A 121 45.981 1.012 -9.194 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.773 1.637 -10.298 1.00 14.97 H new ATOM 0 HG22 VAL A 121 48.372 0.293 -9.202 1.00 14.97 H new ATOM 0 HG23 VAL A 121 49.199 -0.033 -10.744 1.00 14.97 H new ATOM 1825 N ASP A 122 45.205 -1.291 -12.784 1.00 13.33 N ATOM 1826 CA ASP A 122 43.924 -1.436 -13.466 1.00 13.39 C ATOM 1827 C ASP A 122 43.358 -2.836 -13.252 1.00 12.24 C ATOM 1828 O ASP A 122 42.157 -3.004 -13.041 1.00 11.31 O ATOM 1829 CB ASP A 122 44.099 -1.178 -14.964 1.00 14.42 C ATOM 1830 CG ASP A 122 44.493 0.276 -15.200 1.00 16.19 C ATOM 1831 OD1 ASP A 122 44.586 1.009 -14.230 1.00 20.12 O ATOM 1832 OD2 ASP A 122 44.697 0.635 -16.348 1.00 19.51 O ATOM 0 H ASP A 122 46.018 -1.287 -13.400 1.00 13.33 H new ATOM 0 HA ASP A 122 43.228 -0.708 -13.050 1.00 13.39 H new ATOM 0 HB2 ASP A 122 44.864 -1.841 -15.369 1.00 14.42 H new ATOM 0 HB3 ASP A 122 43.172 -1.402 -15.491 1.00 14.42 H new ATOM 1837 N GLU A 123 44.230 -3.837 -13.307 1.00 11.13 N ATOM 1838 CA GLU A 123 43.805 -5.219 -13.117 1.00 10.29 C ATOM 1839 C GLU A 123 43.136 -5.391 -11.757 1.00 8.90 C ATOM 1840 O GLU A 123 42.026 -5.915 -11.663 1.00 7.96 O ATOM 1841 CB GLU A 123 45.011 -6.155 -13.216 1.00 10.26 C ATOM 1842 CG GLU A 123 44.527 -7.597 -13.376 1.00 12.28 C ATOM 1843 CD GLU A 123 45.655 -8.468 -13.919 1.00 13.69 C ATOM 1844 OE1 GLU A 123 45.991 -9.442 -13.266 1.00 14.38 O ATOM 1845 OE2 GLU A 123 46.165 -8.149 -14.980 1.00 15.72 O ATOM 0 H GLU A 123 45.228 -3.719 -13.480 1.00 11.13 H new ATOM 0 HA GLU A 123 43.086 -5.469 -13.898 1.00 10.29 H new ATOM 0 HB2 GLU A 123 45.634 -5.873 -14.065 1.00 10.26 H new ATOM 0 HB3 GLU A 123 45.629 -6.065 -12.323 1.00 10.26 H new ATOM 0 HG2 GLU A 123 44.188 -7.984 -12.415 1.00 12.28 H new ATOM 0 HG3 GLU A 123 43.673 -7.630 -14.053 1.00 12.28 H new ATOM 1852 N MET A 124 43.819 -4.948 -10.706 0.50 8.41 N ATOM 1853 CA MET A 124 43.280 -5.058 -9.356 0.50 7.66 C ATOM 1854 C MET A 124 41.973 -4.281 -9.235 0.50 7.37 C ATOM 1855 O MET A 124 40.956 -4.822 -8.801 0.50 7.04 O ATOM 1856 CB MET A 124 44.292 -4.518 -8.344 0.50 7.67 C ATOM 1857 CG MET A 124 44.127 -5.254 -7.013 0.50 7.34 C ATOM 1858 SD MET A 124 42.368 -5.374 -6.604 0.50 9.25 S ATOM 1859 CE MET A 124 42.565 -6.155 -4.984 0.50 9.75 C ATOM 0 H MET A 124 44.740 -4.513 -10.762 0.50 8.41 H new ATOM 0 HA MET A 124 43.084 -6.110 -9.148 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.306 -4.651 -8.722 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.143 -3.448 -8.201 0.50 7.67 H new ATOM 0 HG2 MET A 124 44.565 -6.250 -7.079 0.50 7.34 H new ATOM 0 HG3 MET A 124 44.660 -4.724 -6.224 0.50 7.34 H new ATOM 0 HE1 MET A 124 41.584 -6.325 -4.540 0.50 9.75 H new ATOM 0 HE2 MET A 124 43.081 -7.108 -5.100 0.50 9.75 H new ATOM 0 HE3 MET A 124 43.149 -5.503 -4.334 0.50 9.75 H new ATOM 1869 N ILE A 125 42.008 -3.010 -9.621 1.00 7.50 N ATOM 1870 CA ILE A 125 40.819 -2.168 -9.552 1.00 8.03 C ATOM 1871 C ILE A 125 39.715 -2.725 -10.444 1.00 8.46 C ATOM 1872 O ILE A 125 38.647 -3.104 -9.962 1.00 9.97 O ATOM 1873 CB ILE A 125 41.162 -0.744 -9.992 1.00 9.03 C ATOM 1874 CG1 ILE A 125 41.908 -0.028 -8.863 1.00 8.72 C ATOM 1875 CG2 ILE A 125 39.874 0.016 -10.312 1.00 8.18 C ATOM 1876 CD1 ILE A 125 42.593 1.223 -9.416 1.00 11.99 C ATOM 0 H ILE A 125 42.840 -2.543 -9.982 1.00 7.50 H new ATOM 0 HA ILE A 125 40.466 -2.155 -8.521 1.00 8.03 H new ATOM 0 HB ILE A 125 41.793 -0.781 -10.880 1.00 9.03 H new ATOM 0 HG12 ILE A 125 41.212 0.246 -8.070 1.00 8.72 H new ATOM 0 HG13 ILE A 125 42.648 -0.695 -8.421 1.00 8.72 H new ATOM 0 HG21 ILE A 125 40.119 1.031 -10.626 1.00 8.18 H new ATOM 0 HG22 ILE A 125 39.341 -0.493 -11.115 1.00 8.18 H new ATOM 0 HG23 ILE A 125 39.243 0.053 -9.424 1.00 8.18 H new ATOM 0 HD11 ILE A 125 43.124 1.733 -8.612 1.00 11.99 H new ATOM 0 HD12 ILE A 125 43.301 0.936 -10.194 1.00 11.99 H new ATOM 0 HD13 ILE A 125 41.843 1.893 -9.837 1.00 11.99 H new ATOM 1888 N ARG A 126 39.979 -2.773 -11.745 1.00 10.35 N ATOM 1889 CA ARG A 126 38.999 -3.287 -12.696 1.00 12.29 C ATOM 1890 C ARG A 126 38.367 -4.572 -12.171 1.00 12.05 C ATOM 1891 O ARG A 126 37.241 -4.914 -12.532 1.00 12.18 O ATOM 1892 CB ARG A 126 39.671 -3.559 -14.043 1.00 13.33 C ATOM 1893 CG ARG A 126 38.615 -3.988 -15.063 1.00 16.87 C ATOM 1894 CD ARG A 126 39.291 -4.294 -16.400 1.00 19.79 C ATOM 1895 NE ARG A 126 39.665 -5.702 -16.466 1.00 23.64 N ATOM 1896 CZ ARG A 126 40.104 -6.244 -17.598 1.00 25.37 C ATOM 1897 NH1 ARG A 126 40.433 -7.507 -17.632 1.00 25.82 N ATOM 1898 NH2 ARG A 126 40.206 -5.514 -18.674 1.00 27.23 N ATOM 0 H ARG A 126 40.857 -2.465 -12.164 1.00 10.35 H new ATOM 0 HA ARG A 126 38.218 -2.538 -12.825 1.00 12.29 H new ATOM 0 HB2 ARG A 126 40.186 -2.664 -14.392 1.00 13.33 H new ATOM 0 HB3 ARG A 126 40.425 -4.339 -13.934 1.00 13.33 H new ATOM 0 HG2 ARG A 126 38.083 -4.868 -14.703 1.00 16.87 H new ATOM 0 HG3 ARG A 126 37.875 -3.198 -15.190 1.00 16.87 H new ATOM 0 HD2 ARG A 126 38.616 -4.051 -17.221 1.00 19.79 H new ATOM 0 HD3 ARG A 126 40.176 -3.669 -16.519 1.00 19.79 H new ATOM 0 HE ARG A 126 39.589 -6.281 -15.630 1.00 23.64 H new ATOM 0 HH11 ARG A 126 40.353 -8.078 -16.790 1.00 25.82 H new ATOM 0 HH12 ARG A 126 40.770 -7.923 -18.500 1.00 25.82 H new ATOM 0 HH21 ARG A 126 39.949 -4.527 -18.647 1.00 27.23 H new ATOM 0 HH22 ARG A 126 40.543 -5.930 -19.542 1.00 27.23 H new ATOM 1912 N GLU A 127 39.099 -5.280 -11.317 1.00 11.23 N ATOM 1913 CA GLU A 127 38.600 -6.527 -10.749 1.00 11.00 C ATOM 1914 C GLU A 127 37.624 -6.243 -9.611 1.00 10.05 C ATOM 1915 O GLU A 127 36.541 -6.826 -9.550 1.00 10.87 O ATOM 1916 CB GLU A 127 39.766 -7.367 -10.226 1.00 10.54 C ATOM 1917 CG GLU A 127 39.275 -8.779 -9.902 1.00 12.15 C ATOM 1918 CD GLU A 127 40.441 -9.642 -9.433 1.00 14.58 C ATOM 1919 OE1 GLU A 127 41.493 -9.086 -9.164 1.00 15.50 O ATOM 1920 OE2 GLU A 127 40.264 -10.846 -9.350 1.00 12.21 O ATOM 0 H GLU A 127 40.033 -5.014 -11.005 1.00 11.23 H new ATOM 0 HA GLU A 127 38.079 -7.078 -11.532 1.00 11.00 H new ATOM 0 HB2 GLU A 127 40.560 -7.409 -10.971 1.00 10.54 H new ATOM 0 HB3 GLU A 127 40.190 -6.905 -9.334 1.00 10.54 H new ATOM 0 HG2 GLU A 127 38.508 -8.738 -9.128 1.00 12.15 H new ATOM 0 HG3 GLU A 127 38.814 -9.224 -10.784 1.00 12.15 H new ATOM 1927 N ALA A 128 38.015 -5.345 -8.713 1.00 9.88 N ATOM 1928 CA ALA A 128 37.165 -4.991 -7.582 1.00 9.79 C ATOM 1929 C ALA A 128 36.018 -4.094 -8.033 1.00 9.77 C ATOM 1930 O ALA A 128 35.079 -3.844 -7.278 1.00 9.01 O ATOM 1931 CB ALA A 128 37.991 -4.270 -6.515 1.00 10.50 C ATOM 0 H ALA A 128 38.908 -4.852 -8.745 1.00 9.88 H new ATOM 0 HA ALA A 128 36.750 -5.907 -7.163 1.00 9.79 H new ATOM 0 HB1 ALA A 128 37.350 -4.009 -5.673 1.00 10.50 H new ATOM 0 HB2 ALA A 128 38.792 -4.924 -6.171 1.00 10.50 H new ATOM 0 HB3 ALA A 128 38.421 -3.363 -6.939 1.00 10.50 H new ATOM 1937 N ASP A 129 36.101 -3.612 -9.269 1.00 9.64 N ATOM 1938 CA ASP A 129 35.063 -2.743 -9.811 1.00 9.00 C ATOM 1939 C ASP A 129 33.811 -3.548 -10.146 1.00 8.76 C ATOM 1940 O ASP A 129 33.686 -4.092 -11.243 1.00 10.86 O ATOM 1941 CB ASP A 129 35.574 -2.043 -11.072 1.00 7.85 C ATOM 1942 CG ASP A 129 36.625 -1.003 -10.700 1.00 9.69 C ATOM 1943 OD1 ASP A 129 36.435 -0.327 -9.702 1.00 9.05 O ATOM 1944 OD2 ASP A 129 37.605 -0.897 -11.419 1.00 6.85 O ATOM 0 H ASP A 129 36.870 -3.807 -9.910 1.00 9.64 H new ATOM 0 HA ASP A 129 34.811 -1.997 -9.058 1.00 9.00 H new ATOM 0 HB2 ASP A 129 36.001 -2.775 -11.757 1.00 7.85 H new ATOM 0 HB3 ASP A 129 34.745 -1.564 -11.594 1.00 7.85 H new ATOM 1949 N ILE A 130 32.887 -3.619 -9.193 1.00 7.88 N ATOM 1950 CA ILE A 130 31.649 -4.361 -9.399 1.00 5.73 C ATOM 1951 C ILE A 130 31.006 -3.973 -10.726 1.00 5.05 C ATOM 1952 O ILE A 130 30.516 -4.830 -11.463 1.00 5.02 O ATOM 1953 CB ILE A 130 30.674 -4.076 -8.255 1.00 6.80 C ATOM 1954 CG1 ILE A 130 31.350 -4.396 -6.919 1.00 8.06 C ATOM 1955 CG2 ILE A 130 29.428 -4.948 -8.416 1.00 4.19 C ATOM 1956 CD1 ILE A 130 30.603 -3.690 -5.787 1.00 12.26 C ATOM 0 H ILE A 130 32.971 -3.176 -8.278 1.00 7.88 H new ATOM 0 HA ILE A 130 31.884 -5.425 -9.420 1.00 5.73 H new ATOM 0 HB ILE A 130 30.386 -3.025 -8.276 1.00 6.80 H new ATOM 0 HG12 ILE A 130 31.354 -5.473 -6.750 1.00 8.06 H new ATOM 0 HG13 ILE A 130 32.391 -4.073 -6.939 1.00 8.06 H new ATOM 0 HG21 ILE A 130 28.734 -4.745 -7.601 1.00 4.19 H new ATOM 0 HG22 ILE A 130 28.946 -4.722 -9.367 1.00 4.19 H new ATOM 0 HG23 ILE A 130 29.715 -5.999 -8.395 1.00 4.19 H new ATOM 0 HD11 ILE A 130 31.084 -3.918 -4.836 1.00 12.26 H new ATOM 0 HD12 ILE A 130 30.622 -2.613 -5.955 1.00 12.26 H new ATOM 0 HD13 ILE A 130 29.569 -4.035 -5.762 1.00 12.26 H new ATOM 1968 N ASP A 131 31.011 -2.678 -11.026 1.00 3.37 N ATOM 1969 CA ASP A 131 30.425 -2.190 -12.269 1.00 3.41 C ATOM 1970 C ASP A 131 31.441 -2.258 -13.405 1.00 3.42 C ATOM 1971 O ASP A 131 31.076 -2.208 -14.580 1.00 5.27 O ATOM 1972 CB ASP A 131 29.952 -0.746 -12.091 1.00 3.12 C ATOM 1973 CG ASP A 131 30.997 0.054 -11.321 1.00 5.63 C ATOM 1974 OD1 ASP A 131 32.173 -0.157 -11.564 1.00 7.79 O ATOM 1975 OD2 ASP A 131 30.605 0.867 -10.500 1.00 5.83 O ATOM 0 H ASP A 131 31.411 -1.953 -10.431 1.00 3.37 H new ATOM 0 HA ASP A 131 29.574 -2.823 -12.520 1.00 3.41 H new ATOM 0 HB2 ASP A 131 29.777 -0.289 -13.065 1.00 3.12 H new ATOM 0 HB3 ASP A 131 29.002 -0.729 -11.556 1.00 3.12 H new ATOM 1980 N GLY A 132 32.715 -2.373 -13.047 1.00 3.22 N ATOM 1981 CA GLY A 132 33.775 -2.447 -14.046 1.00 3.08 C ATOM 1982 C GLY A 132 33.772 -1.209 -14.936 1.00 3.63 C ATOM 1983 O GLY A 132 33.677 -1.312 -16.159 1.00 3.93 O ATOM 0 H GLY A 132 33.037 -2.417 -12.080 1.00 3.22 H new ATOM 0 HA2 GLY A 132 34.741 -2.541 -13.550 1.00 3.08 H new ATOM 0 HA3 GLY A 132 33.642 -3.340 -14.657 1.00 3.08 H new ATOM 1987 N ASP A 133 33.878 -0.039 -14.315 1.00 3.43 N ATOM 1988 CA ASP A 133 33.886 1.213 -15.062 1.00 4.62 C ATOM 1989 C ASP A 133 35.309 1.742 -15.208 1.00 4.97 C ATOM 1990 O ASP A 133 35.576 2.615 -16.034 1.00 5.60 O ATOM 1991 CB ASP A 133 33.024 2.255 -14.345 1.00 4.81 C ATOM 1992 CG ASP A 133 33.317 2.232 -12.848 1.00 6.31 C ATOM 1993 OD1 ASP A 133 32.393 1.993 -12.088 1.00 9.56 O ATOM 1994 OD2 ASP A 133 34.460 2.453 -12.484 1.00 5.38 O ATOM 0 H ASP A 133 33.959 0.068 -13.304 1.00 3.43 H new ATOM 0 HA ASP A 133 33.477 1.024 -16.055 1.00 4.62 H new ATOM 0 HB2 ASP A 133 33.227 3.247 -14.749 1.00 4.81 H new ATOM 0 HB3 ASP A 133 31.968 2.049 -14.521 1.00 4.81 H new ATOM 1999 N GLY A 134 36.220 1.207 -14.401 1.00 5.35 N ATOM 2000 CA GLY A 134 37.613 1.634 -14.449 1.00 5.78 C ATOM 2001 C GLY A 134 37.951 2.525 -13.259 1.00 6.89 C ATOM 2002 O GLY A 134 39.001 3.167 -13.229 1.00 7.32 O ATOM 0 H GLY A 134 36.021 0.483 -13.711 1.00 5.35 H new ATOM 0 HA2 GLY A 134 38.265 0.761 -14.451 1.00 5.78 H new ATOM 0 HA3 GLY A 134 37.800 2.174 -15.377 1.00 5.78 H new ATOM 2006 N GLN A 135 37.053 2.559 -12.279 1.00 8.76 N ATOM 2007 CA GLN A 135 37.265 3.376 -11.090 1.00 10.22 C ATOM 2008 C GLN A 135 36.611 2.727 -9.874 1.00 10.54 C ATOM 2009 O GLN A 135 35.826 1.788 -10.008 1.00 9.45 O ATOM 2010 CB GLN A 135 36.678 4.772 -11.303 1.00 11.41 C ATOM 2011 CG GLN A 135 37.006 5.253 -12.718 1.00 15.22 C ATOM 2012 CD GLN A 135 36.481 6.670 -12.922 1.00 14.99 C ATOM 2013 OE1 GLN A 135 35.897 7.254 -12.009 1.00 22.05 O ATOM 2014 NE2 GLN A 135 36.656 7.262 -14.072 1.00 21.85 N ATOM 0 H GLN A 135 36.178 2.034 -12.284 1.00 8.76 H new ATOM 0 HA GLN A 135 38.338 3.458 -10.913 1.00 10.22 H new ATOM 0 HB2 GLN A 135 35.598 4.750 -11.156 1.00 11.41 H new ATOM 0 HB3 GLN A 135 37.086 5.466 -10.568 1.00 11.41 H new ATOM 0 HG2 GLN A 135 38.084 5.229 -12.878 1.00 15.22 H new ATOM 0 HG3 GLN A 135 36.560 4.582 -13.452 1.00 15.22 H new ATOM 0 HE21 GLN A 135 37.140 6.776 -14.827 1.00 21.85 H new ATOM 0 HE22 GLN A 135 36.309 8.210 -14.216 1.00 21.85 H new ATOM 2023 N VAL A 136 36.937 3.234 -8.689 1.00 10.23 N ATOM 2024 CA VAL A 136 36.372 2.693 -7.459 1.00 8.85 C ATOM 2025 C VAL A 136 35.627 3.778 -6.688 1.00 7.34 C ATOM 2026 O VAL A 136 36.238 4.593 -5.997 1.00 7.03 O ATOM 2027 CB VAL A 136 37.485 2.115 -6.583 1.00 7.54 C ATOM 2028 CG1 VAL A 136 36.870 1.424 -5.365 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.292 1.097 -7.392 1.00 10.34 C ATOM 0 H VAL A 136 37.583 4.012 -8.555 1.00 10.23 H new ATOM 0 HA VAL A 136 35.669 1.903 -7.722 1.00 8.85 H new ATOM 0 HB VAL A 136 38.141 2.920 -6.251 1.00 7.54 H new ATOM 0 HG11 VAL A 136 37.663 1.012 -4.741 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.294 2.148 -4.789 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.214 0.619 -5.696 1.00 8.16 H new ATOM 0 HG21 VAL A 136 39.086 0.684 -6.769 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.635 0.293 -7.723 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.731 1.588 -8.261 1.00 10.34 H new ATOM 2039 N ASN A 137 34.304 3.782 -6.813 1.00 6.53 N ATOM 2040 CA ASN A 137 33.485 4.772 -6.124 1.00 7.00 C ATOM 2041 C ASN A 137 33.458 4.498 -4.624 1.00 7.22 C ATOM 2042 O ASN A 137 33.790 3.400 -4.177 1.00 10.52 O ATOM 2043 CB ASN A 137 32.058 4.743 -6.675 1.00 6.31 C ATOM 2044 CG ASN A 137 31.668 3.314 -7.038 1.00 7.74 C ATOM 2045 OD1 ASN A 137 32.405 2.631 -7.750 1.00 12.02 O ATOM 2046 ND2 ASN A 137 30.547 2.819 -6.590 1.00 9.78 N ATOM 0 H ASN A 137 33.779 3.116 -7.380 1.00 6.53 H new ATOM 0 HA ASN A 137 33.921 5.757 -6.293 1.00 7.00 H new ATOM 0 HB2 ASN A 137 31.365 5.141 -5.934 1.00 6.31 H new ATOM 0 HB3 ASN A 137 31.986 5.383 -7.554 1.00 6.31 H new ATOM 0 HD21 ASN A 137 30.279 1.864 -6.829 1.00 9.78 H new ATOM 0 HD22 ASN A 137 29.938 3.387 -6.000 1.00 9.78 H new ATOM 2053 N TYR A 138 33.061 5.504 -3.852 0.50 8.14 N ATOM 2054 CA TYR A 138 32.994 5.361 -2.402 0.50 7.95 C ATOM 2055 C TYR A 138 32.199 4.113 -2.026 0.50 8.75 C ATOM 2056 O TYR A 138 32.507 3.443 -1.040 0.50 8.62 O ATOM 2057 CB TYR A 138 32.331 6.598 -1.785 0.50 7.85 C ATOM 2058 CG TYR A 138 33.330 7.337 -0.925 0.50 6.95 C ATOM 2059 CD1 TYR A 138 34.015 6.660 0.091 0.50 6.52 C ATOM 2060 CD2 TYR A 138 33.569 8.699 -1.145 0.50 5.59 C ATOM 2061 CE1 TYR A 138 34.939 7.345 0.888 0.50 7.79 C ATOM 2062 CE2 TYR A 138 34.494 9.384 -0.347 0.50 5.99 C ATOM 2063 CZ TYR A 138 35.179 8.707 0.669 0.50 6.26 C ATOM 2064 OH TYR A 138 36.090 9.383 1.455 0.50 6.33 O ATOM 0 H TYR A 138 32.783 6.421 -4.202 0.50 8.14 H new ATOM 0 HA TYR A 138 34.009 5.263 -2.016 0.50 7.95 H new ATOM 0 HB2 TYR A 138 31.959 7.254 -2.572 0.50 7.85 H new ATOM 0 HB3 TYR A 138 31.471 6.300 -1.185 0.50 7.85 H new ATOM 0 HD1 TYR A 138 33.830 5.609 0.260 0.50 6.52 H new ATOM 0 HD2 TYR A 138 33.041 9.221 -1.929 0.50 5.59 H new ATOM 0 HE1 TYR A 138 35.467 6.823 1.672 0.50 7.79 H new ATOM 0 HE2 TYR A 138 34.679 10.435 -0.515 0.50 5.99 H new ATOM 0 HH TYR A 138 35.682 10.207 1.794 0.50 6.33 H new ATOM 2074 N GLU A 139 31.177 3.808 -2.819 1.00 9.07 N ATOM 2075 CA GLU A 139 30.345 2.639 -2.561 1.00 10.59 C ATOM 2076 C GLU A 139 31.185 1.366 -2.590 1.00 9.77 C ATOM 2077 O GLU A 139 31.030 0.489 -1.741 1.00 11.13 O ATOM 2078 CB GLU A 139 29.236 2.545 -3.610 1.00 10.86 C ATOM 2079 CG GLU A 139 28.036 1.802 -3.020 1.00 14.67 C ATOM 2080 CD GLU A 139 27.034 2.800 -2.449 1.00 16.27 C ATOM 2081 OE1 GLU A 139 25.872 2.446 -2.339 1.00 22.33 O ATOM 2082 OE2 GLU A 139 27.444 3.904 -2.129 1.00 20.01 O ATOM 0 H GLU A 139 30.907 4.350 -3.640 1.00 9.07 H new ATOM 0 HA GLU A 139 29.900 2.745 -1.571 1.00 10.59 H new ATOM 0 HB2 GLU A 139 28.938 3.544 -3.929 1.00 10.86 H new ATOM 0 HB3 GLU A 139 29.601 2.023 -4.495 1.00 10.86 H new ATOM 0 HG2 GLU A 139 27.559 1.195 -3.790 1.00 14.67 H new ATOM 0 HG3 GLU A 139 28.369 1.120 -2.237 1.00 14.67 H new ATOM 2089 N GLU A 140 32.074 1.273 -3.573 1.00 10.22 N ATOM 2090 CA GLU A 140 32.934 0.101 -3.703 1.00 8.98 C ATOM 2091 C GLU A 140 33.872 -0.008 -2.505 1.00 8.77 C ATOM 2092 O GLU A 140 34.157 -1.105 -2.026 1.00 8.82 O ATOM 2093 CB GLU A 140 33.756 0.196 -4.990 1.00 9.71 C ATOM 2094 CG GLU A 140 33.207 -0.790 -6.023 1.00 8.70 C ATOM 2095 CD GLU A 140 31.849 -0.314 -6.527 1.00 9.57 C ATOM 2096 OE1 GLU A 140 31.452 0.779 -6.158 1.00 13.45 O ATOM 2097 OE2 GLU A 140 31.225 -1.049 -7.275 1.00 10.05 O ATOM 0 H GLU A 140 32.218 1.988 -4.286 1.00 10.22 H new ATOM 0 HA GLU A 140 32.304 -0.788 -3.740 1.00 8.98 H new ATOM 0 HB2 GLU A 140 33.717 1.211 -5.385 1.00 9.71 H new ATOM 0 HB3 GLU A 140 34.803 -0.025 -4.782 1.00 9.71 H new ATOM 0 HG2 GLU A 140 33.903 -0.880 -6.857 1.00 8.70 H new ATOM 0 HG3 GLU A 140 33.112 -1.781 -5.578 1.00 8.70 H new ATOM 2104 N PHE A 141 34.347 1.137 -2.026 1.00 7.84 N ATOM 2105 CA PHE A 141 35.251 1.158 -0.882 1.00 6.81 C ATOM 2106 C PHE A 141 34.610 0.469 0.318 1.00 7.49 C ATOM 2107 O PHE A 141 35.299 -0.127 1.146 1.00 8.25 O ATOM 2108 CB PHE A 141 35.600 2.605 -0.520 1.00 7.47 C ATOM 2109 CG PHE A 141 37.100 2.781 -0.504 1.00 5.76 C ATOM 2110 CD1 PHE A 141 37.807 2.870 -1.710 1.00 6.47 C ATOM 2111 CD2 PHE A 141 37.784 2.855 0.715 1.00 4.85 C ATOM 2112 CE1 PHE A 141 39.197 3.034 -1.695 1.00 2.00 C ATOM 2113 CE2 PHE A 141 39.174 3.018 0.729 1.00 4.27 C ATOM 2114 CZ PHE A 141 39.881 3.108 -0.476 1.00 2.00 C ATOM 0 H PHE A 141 34.123 2.056 -2.409 1.00 7.84 H new ATOM 0 HA PHE A 141 36.162 0.622 -1.150 1.00 6.81 H new ATOM 0 HB2 PHE A 141 35.152 3.288 -1.242 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.185 2.856 0.456 1.00 7.47 H new ATOM 0 HD1 PHE A 141 37.280 2.812 -2.651 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.239 2.786 1.645 1.00 4.85 H new ATOM 0 HE1 PHE A 141 39.742 3.103 -2.625 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.701 3.074 1.670 1.00 4.27 H new ATOM 0 HZ PHE A 141 40.954 3.234 -0.465 1.00 2.00 H new ATOM 2124 N VAL A 142 33.286 0.556 0.406 1.00 5.97 N ATOM 2125 CA VAL A 142 32.561 -0.063 1.509 1.00 6.53 C ATOM 2126 C VAL A 142 32.626 -1.583 1.406 1.00 5.16 C ATOM 2127 O VAL A 142 32.440 -2.290 2.397 1.00 5.28 O ATOM 2128 CB VAL A 142 31.100 0.389 1.492 1.00 7.17 C ATOM 2129 CG1 VAL A 142 30.286 -0.477 2.455 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.015 1.853 1.929 1.00 7.96 C ATOM 0 H VAL A 142 32.698 1.045 -0.268 1.00 5.97 H new ATOM 0 HA VAL A 142 33.026 0.247 2.445 1.00 6.53 H new ATOM 0 HB VAL A 142 30.700 0.285 0.483 1.00 7.17 H new ATOM 0 HG11 VAL A 142 29.245 -0.155 2.443 1.00 10.15 H new ATOM 0 HG12 VAL A 142 30.347 -1.520 2.146 1.00 10.15 H new ATOM 0 HG13 VAL A 142 30.686 -0.374 3.464 1.00 10.15 H new ATOM 0 HG21 VAL A 142 29.974 2.176 1.917 1.00 7.96 H new ATOM 0 HG22 VAL A 142 31.415 1.955 2.938 1.00 7.96 H new ATOM 0 HG23 VAL A 142 31.595 2.471 1.244 1.00 7.96 H new ATOM 2140 N GLN A 143 32.892 -2.079 0.202 0.50 5.93 N ATOM 2141 CA GLN A 143 32.979 -3.518 -0.018 0.50 5.91 C ATOM 2142 C GLN A 143 34.349 -4.041 0.401 0.50 5.69 C ATOM 2143 O GLN A 143 34.480 -5.182 0.844 0.50 5.40 O ATOM 2144 CB GLN A 143 32.740 -3.835 -1.495 0.50 5.96 C ATOM 2145 CG GLN A 143 31.329 -3.393 -1.890 0.50 6.79 C ATOM 2146 CD GLN A 143 30.304 -4.397 -1.372 0.50 8.07 C ATOM 2147 OE1 GLN A 143 29.335 -4.014 -0.717 0.50 7.89 O ATOM 2148 NE2 GLN A 143 30.461 -5.667 -1.628 0.50 8.24 N ATOM 0 H GLN A 143 33.050 -1.511 -0.630 0.50 5.93 H new ATOM 0 HA GLN A 143 32.215 -4.007 0.587 0.50 5.91 H new ATOM 0 HB2 GLN A 143 33.479 -3.324 -2.112 0.50 5.96 H new ATOM 0 HB3 GLN A 143 32.861 -4.904 -1.673 0.50 5.96 H new ATOM 0 HG2 GLN A 143 31.121 -2.404 -1.481 0.50 6.79 H new ATOM 0 HG3 GLN A 143 31.255 -3.311 -2.974 0.50 6.79 H new ATOM 0 HE21 GLN A 143 31.265 -5.982 -2.171 0.50 8.24 H new ATOM 0 HE22 GLN A 143 29.780 -6.344 -1.285 0.50 8.24 H new ATOM 2157 N MET A 144 35.368 -3.200 0.258 0.50 6.59 N ATOM 2158 CA MET A 144 36.725 -3.588 0.625 0.50 5.84 C ATOM 2159 C MET A 144 36.926 -3.475 2.133 0.50 6.04 C ATOM 2160 O MET A 144 37.943 -3.917 2.667 0.50 6.68 O ATOM 2161 CB MET A 144 37.736 -2.695 -0.096 0.50 5.76 C ATOM 2162 CG MET A 144 39.142 -2.983 0.435 0.50 5.91 C ATOM 2163 SD MET A 144 39.521 -1.844 1.790 0.50 4.59 S ATOM 2164 CE MET A 144 41.022 -2.672 2.369 0.50 2.00 C ATOM 0 H MET A 144 35.281 -2.251 -0.107 0.50 6.59 H new ATOM 0 HA MET A 144 36.880 -4.625 0.327 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.697 -2.877 -1.170 0.50 5.76 H new ATOM 0 HB3 MET A 144 37.485 -1.646 0.059 0.50 5.76 H new ATOM 0 HG2 MET A 144 39.207 -4.014 0.783 0.50 5.91 H new ATOM 0 HG3 MET A 144 39.874 -2.870 -0.364 0.50 5.91 H new ATOM 0 HE1 MET A 144 41.433 -2.128 3.219 0.50 2.00 H new ATOM 0 HE2 MET A 144 40.781 -3.691 2.673 0.50 2.00 H new ATOM 0 HE3 MET A 144 41.757 -2.697 1.565 0.50 2.00 H new ATOM 2174 N MET A 145 35.951 -2.881 2.812 0.50 6.29 N ATOM 2175 CA MET A 145 36.032 -2.716 4.259 0.50 7.25 C ATOM 2176 C MET A 145 35.540 -3.972 4.971 0.50 7.30 C ATOM 2177 O MET A 145 35.703 -4.114 6.183 0.50 6.60 O ATOM 2178 CB MET A 145 35.190 -1.515 4.696 0.50 7.65 C ATOM 2179 CG MET A 145 33.743 -1.959 4.918 0.50 9.43 C ATOM 2180 SD MET A 145 33.527 -2.473 6.640 0.50 13.37 S ATOM 2181 CE MET A 145 31.728 -2.661 6.597 0.50 13.25 C ATOM 0 H MET A 145 35.101 -2.508 2.388 0.50 6.29 H new ATOM 0 HA MET A 145 37.074 -2.545 4.528 0.50 7.25 H new ATOM 0 HB2 MET A 145 35.595 -1.088 5.613 0.50 7.65 H new ATOM 0 HB3 MET A 145 35.229 -0.734 3.936 0.50 7.65 H new ATOM 0 HG2 MET A 145 33.061 -1.142 4.683 0.50 9.43 H new ATOM 0 HG3 MET A 145 33.497 -2.783 4.248 0.50 9.43 H new ATOM 0 HE1 MET A 145 31.372 -2.979 7.577 0.50 13.25 H new ATOM 0 HE2 MET A 145 31.269 -1.708 6.336 0.50 13.25 H new ATOM 0 HE3 MET A 145 31.458 -3.410 5.852 0.50 13.25 H new