USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 98 SER OG : rot -140:sc= -0.318 USER MOD Set 1.2: A 107 HIS : no HD1:sc= -2.5! C(o=-2.8!,f=-6.6!) USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= -0.246 (180deg=-1.52!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 179:sc= 0 (180deg=-0.0036) USER MOD Single : A 75 SER OG : rot 88:sc= 1.23 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.28 F(o=-4.1,f=-2.3) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.476 F(o=-1.1,f=-0.48) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -43:sc= -0.863 USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.12) USER MOD Single : A 103 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.58) USER MOD Single : A 106 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.5) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -33:sc= 0.0938 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.191 F(o=-1.6!,f=-0.19) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= 0.0572 K(o=0.057,f=-2.1!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= -0.344 USER MOD Single : A 141 SER OG : rot -28:sc= 0.485 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.8!) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 153 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 0.781 1.559 -3.561 1.00 1.32 N ATOM 2 CA TRP A 60 1.463 0.877 -2.467 1.00 30.21 C ATOM 3 C TRP A 60 1.701 -0.591 -2.805 1.00 14.11 C ATOM 4 O TRP A 60 2.831 -1.003 -3.066 1.00 41.43 O ATOM 5 CB TRP A 60 0.646 0.990 -1.179 1.00 55.51 C ATOM 6 CG TRP A 60 1.477 0.887 0.063 1.00 2.14 C ATOM 7 CD1 TRP A 60 1.704 1.872 0.982 1.00 34.34 C ATOM 8 CD2 TRP A 60 2.194 -0.264 0.521 1.00 21.54 C ATOM 9 NE1 TRP A 60 2.518 1.401 1.984 1.00 2.51 N ATOM 10 CE2 TRP A 60 2.832 0.094 1.725 1.00 23.41 C ATOM 11 CE3 TRP A 60 2.357 -1.564 0.033 1.00 4.43 C ATOM 12 CZ2 TRP A 60 3.621 -0.801 2.444 1.00 15.01 C ATOM 13 CZ3 TRP A 60 3.140 -2.450 0.748 1.00 63.22 C ATOM 14 CH2 TRP A 60 3.763 -2.066 1.943 1.00 63.32 C ATOM 0 HA TRP A 60 2.430 1.358 -2.319 1.00 30.21 H new ATOM 0 HB2 TRP A 60 0.117 1.943 -1.175 1.00 55.51 H new ATOM 0 HB3 TRP A 60 -0.111 0.205 -1.167 1.00 55.51 H new ATOM 0 HD1 TRP A 60 1.303 2.873 0.929 1.00 34.34 H new ATOM 0 HE1 TRP A 60 2.837 1.938 2.790 1.00 2.51 H new ATOM 0 HE3 TRP A 60 1.880 -1.870 -0.886 1.00 4.43 H new ATOM 0 HZ2 TRP A 60 4.103 -0.507 3.364 1.00 15.01 H new ATOM 0 HZ3 TRP A 60 3.274 -3.456 0.379 1.00 63.22 H new ATOM 0 HH2 TRP A 60 4.367 -2.783 2.479 1.00 63.32 H new ATOM 25 N PHE A 61 0.629 -1.376 -2.798 1.00 74.23 N ATOM 26 CA PHE A 61 0.721 -2.799 -3.104 1.00 24.13 C ATOM 27 C PHE A 61 -0.280 -3.189 -4.187 1.00 20.31 C ATOM 28 O PHE A 61 -1.324 -2.555 -4.340 1.00 71.33 O ATOM 29 CB PHE A 61 0.476 -3.630 -1.843 1.00 34.23 C ATOM 30 CG PHE A 61 -0.109 -4.985 -2.122 1.00 70.24 C ATOM 31 CD1 PHE A 61 0.665 -5.985 -2.689 1.00 50.34 C ATOM 32 CD2 PHE A 61 -1.433 -5.259 -1.819 1.00 21.14 C ATOM 33 CE1 PHE A 61 0.130 -7.233 -2.948 1.00 2.13 C ATOM 34 CE2 PHE A 61 -1.973 -6.505 -2.074 1.00 61.42 C ATOM 35 CZ PHE A 61 -1.191 -7.493 -2.641 1.00 21.05 C ATOM 0 H PHE A 61 -0.314 -1.051 -2.584 1.00 74.23 H new ATOM 0 HA PHE A 61 1.726 -3.001 -3.474 1.00 24.13 H new ATOM 0 HB2 PHE A 61 1.419 -3.753 -1.310 1.00 34.23 H new ATOM 0 HB3 PHE A 61 -0.195 -3.082 -1.181 1.00 34.23 H new ATOM 0 HD1 PHE A 61 1.699 -5.787 -2.931 1.00 50.34 H new ATOM 0 HD2 PHE A 61 -2.050 -4.490 -1.378 1.00 21.14 H new ATOM 0 HE1 PHE A 61 0.744 -8.004 -3.390 1.00 2.13 H new ATOM 0 HE2 PHE A 61 -3.006 -6.707 -1.830 1.00 61.42 H new ATOM 0 HZ PHE A 61 -1.612 -8.467 -2.844 1.00 21.05 H new ATOM 45 N PHE A 62 0.046 -4.237 -4.936 1.00 65.13 N ATOM 46 CA PHE A 62 -0.823 -4.712 -6.007 1.00 3.04 C ATOM 47 C PHE A 62 -0.904 -6.236 -6.006 1.00 10.34 C ATOM 48 O PHE A 62 0.114 -6.923 -6.080 1.00 12.33 O ATOM 49 CB PHE A 62 -0.314 -4.218 -7.363 1.00 22.15 C ATOM 50 CG PHE A 62 -1.071 -3.034 -7.892 1.00 2.33 C ATOM 51 CD1 PHE A 62 -0.800 -1.757 -7.426 1.00 61.20 C ATOM 52 CD2 PHE A 62 -2.054 -3.197 -8.854 1.00 41.14 C ATOM 53 CE1 PHE A 62 -1.494 -0.665 -7.911 1.00 54.01 C ATOM 54 CE2 PHE A 62 -2.751 -2.109 -9.344 1.00 13.45 C ATOM 55 CZ PHE A 62 -2.472 -0.841 -8.870 1.00 71.34 C ATOM 0 H PHE A 62 0.906 -4.774 -4.821 1.00 65.13 H new ATOM 0 HA PHE A 62 -1.822 -4.312 -5.834 1.00 3.04 H new ATOM 0 HB2 PHE A 62 0.740 -3.955 -7.273 1.00 22.15 H new ATOM 0 HB3 PHE A 62 -0.378 -5.032 -8.085 1.00 22.15 H new ATOM 0 HD1 PHE A 62 -0.037 -1.614 -6.675 1.00 61.20 H new ATOM 0 HD2 PHE A 62 -2.278 -4.186 -9.226 1.00 41.14 H new ATOM 0 HE1 PHE A 62 -1.272 0.325 -7.541 1.00 54.01 H new ATOM 0 HE2 PHE A 62 -3.513 -2.249 -10.096 1.00 13.45 H new ATOM 0 HZ PHE A 62 -3.018 0.010 -9.249 1.00 71.34 H new ATOM 65 N GLY A 63 -2.124 -6.757 -5.920 1.00 72.32 N ATOM 66 CA GLY A 63 -2.317 -8.196 -5.910 1.00 40.41 C ATOM 67 C GLY A 63 -1.409 -8.909 -6.892 1.00 24.24 C ATOM 68 O GLY A 63 -0.267 -9.238 -6.567 1.00 74.23 O ATOM 0 H GLY A 63 -2.982 -6.209 -5.857 1.00 72.32 H new ATOM 0 HA2 GLY A 63 -2.132 -8.577 -4.906 1.00 40.41 H new ATOM 0 HA3 GLY A 63 -3.356 -8.422 -6.150 1.00 40.41 H new ATOM 72 N LYS A 64 -1.915 -9.151 -8.096 1.00 35.52 N ATOM 73 CA LYS A 64 -1.143 -9.831 -9.129 1.00 32.31 C ATOM 74 C LYS A 64 -1.225 -9.079 -10.453 1.00 42.41 C ATOM 75 O LYS A 64 -2.235 -9.146 -11.155 1.00 4.15 O ATOM 76 CB LYS A 64 -1.648 -11.264 -9.313 1.00 35.15 C ATOM 77 CG LYS A 64 -1.720 -12.055 -8.018 1.00 4.45 C ATOM 78 CD LYS A 64 -0.362 -12.617 -7.632 1.00 45.21 C ATOM 79 CE LYS A 64 -0.119 -12.511 -6.134 1.00 51.43 C ATOM 80 NZ LYS A 64 -0.366 -13.804 -5.439 1.00 72.34 N ATOM 0 H LYS A 64 -2.858 -8.886 -8.381 1.00 35.52 H new ATOM 0 HA LYS A 64 -0.101 -9.858 -8.810 1.00 32.31 H new ATOM 0 HB2 LYS A 64 -2.639 -11.236 -9.767 1.00 35.15 H new ATOM 0 HB3 LYS A 64 -0.992 -11.785 -10.011 1.00 35.15 H new ATOM 0 HG2 LYS A 64 -2.090 -11.413 -7.218 1.00 4.45 H new ATOM 0 HG3 LYS A 64 -2.435 -12.871 -8.128 1.00 4.45 H new ATOM 0 HD2 LYS A 64 -0.299 -13.661 -7.939 1.00 45.21 H new ATOM 0 HD3 LYS A 64 0.421 -12.080 -8.167 1.00 45.21 H new ATOM 0 HE2 LYS A 64 0.908 -12.193 -5.954 1.00 51.43 H new ATOM 0 HE3 LYS A 64 -0.769 -11.743 -5.714 1.00 51.43 H new ATOM 0 HZ1 LYS A 64 -1.070 -13.665 -4.687 1.00 72.34 H new ATOM 0 HZ2 LYS A 64 -0.722 -14.503 -6.122 1.00 72.34 H new ATOM 0 HZ3 LYS A 64 0.522 -14.149 -5.022 1.00 72.34 H new ATOM 94 N ILE A 65 -0.156 -8.364 -10.789 1.00 71.21 N ATOM 95 CA ILE A 65 -0.107 -7.602 -12.030 1.00 40.44 C ATOM 96 C ILE A 65 1.214 -7.823 -12.759 1.00 40.54 C ATOM 97 O ILE A 65 2.283 -7.891 -12.152 1.00 51.01 O ATOM 98 CB ILE A 65 -0.293 -6.095 -11.773 1.00 4.40 C ATOM 99 CG1 ILE A 65 0.828 -5.567 -10.874 1.00 55.32 C ATOM 100 CG2 ILE A 65 -1.653 -5.828 -11.146 1.00 3.05 C ATOM 101 CD1 ILE A 65 1.474 -4.302 -11.394 1.00 13.42 C ATOM 0 H ILE A 65 0.687 -8.297 -10.219 1.00 71.21 H new ATOM 0 HA ILE A 65 -0.927 -7.960 -12.653 1.00 40.44 H new ATOM 0 HB ILE A 65 -0.246 -5.570 -12.727 1.00 4.40 H new ATOM 0 HG12 ILE A 65 0.426 -5.377 -9.879 1.00 55.32 H new ATOM 0 HG13 ILE A 65 1.591 -6.338 -10.768 1.00 55.32 H new ATOM 0 HG21 ILE A 65 -1.769 -4.758 -10.971 1.00 3.05 H new ATOM 0 HG22 ILE A 65 -2.438 -6.173 -11.819 1.00 3.05 H new ATOM 0 HG23 ILE A 65 -1.728 -6.361 -10.198 1.00 3.05 H new ATOM 0 HD11 ILE A 65 2.259 -3.985 -10.707 1.00 13.42 H new ATOM 0 HD12 ILE A 65 1.906 -4.492 -12.376 1.00 13.42 H new ATOM 0 HD13 ILE A 65 0.723 -3.516 -11.474 1.00 13.42 H new ATOM 113 N PRO A 66 1.142 -7.935 -14.094 1.00 33.30 N ATOM 114 CA PRO A 66 2.323 -8.148 -14.936 1.00 11.43 C ATOM 115 C PRO A 66 3.224 -6.919 -14.990 1.00 43.22 C ATOM 116 O PRO A 66 2.744 -5.787 -15.040 1.00 54.50 O ATOM 117 CB PRO A 66 1.728 -8.436 -16.316 1.00 53.21 C ATOM 118 CG PRO A 66 0.396 -7.769 -16.301 1.00 54.10 C ATOM 119 CD PRO A 66 -0.099 -7.864 -14.884 1.00 41.41 C ATOM 0 HA PRO A 66 2.957 -8.949 -14.555 1.00 11.43 H new ATOM 0 HB2 PRO A 66 2.360 -8.039 -17.110 1.00 53.21 H new ATOM 0 HB3 PRO A 66 1.632 -9.508 -16.490 1.00 53.21 H new ATOM 0 HG2 PRO A 66 0.477 -6.729 -16.617 1.00 54.10 H new ATOM 0 HG3 PRO A 66 -0.293 -8.259 -16.989 1.00 54.10 H new ATOM 0 HD2 PRO A 66 -0.701 -6.998 -14.610 1.00 41.41 H new ATOM 0 HD3 PRO A 66 -0.722 -8.746 -14.734 1.00 41.41 H new ATOM 127 N ARG A 67 4.533 -7.150 -14.981 1.00 0.21 N ATOM 128 CA ARG A 67 5.501 -6.061 -15.029 1.00 4.04 C ATOM 129 C ARG A 67 4.972 -4.899 -15.864 1.00 11.22 C ATOM 130 O ARG A 67 5.103 -3.737 -15.481 1.00 52.53 O ATOM 131 CB ARG A 67 6.829 -6.555 -15.607 1.00 34.42 C ATOM 132 CG ARG A 67 6.665 -7.492 -16.793 1.00 1.13 C ATOM 133 CD ARG A 67 7.845 -8.443 -16.918 1.00 71.20 C ATOM 134 NE ARG A 67 9.076 -7.862 -16.389 1.00 54.50 N ATOM 135 CZ ARG A 67 10.218 -8.531 -16.283 1.00 3.52 C ATOM 136 NH1 ARG A 67 10.287 -9.797 -16.668 1.00 33.54 N ATOM 137 NH2 ARG A 67 11.296 -7.932 -15.791 1.00 73.03 N ATOM 0 H ARG A 67 4.947 -8.081 -14.941 1.00 0.21 H new ATOM 0 HA ARG A 67 5.664 -5.709 -14.010 1.00 4.04 H new ATOM 0 HB2 ARG A 67 7.425 -5.695 -15.914 1.00 34.42 H new ATOM 0 HB3 ARG A 67 7.388 -7.067 -14.824 1.00 34.42 H new ATOM 0 HG2 ARG A 67 5.745 -8.065 -16.681 1.00 1.13 H new ATOM 0 HG3 ARG A 67 6.568 -6.909 -17.709 1.00 1.13 H new ATOM 0 HD2 ARG A 67 7.623 -9.368 -16.386 1.00 71.20 H new ATOM 0 HD3 ARG A 67 7.989 -8.705 -17.966 1.00 71.20 H new ATOM 0 HE ARG A 67 9.057 -6.889 -16.084 1.00 54.50 H new ATOM 0 HH11 ARG A 67 9.461 -10.260 -17.047 1.00 33.54 H new ATOM 0 HH12 ARG A 67 11.166 -10.308 -16.585 1.00 33.54 H new ATOM 0 HH21 ARG A 67 11.247 -6.957 -15.494 1.00 73.03 H new ATOM 0 HH22 ARG A 67 12.173 -8.446 -15.710 1.00 73.03 H new ATOM 151 N ALA A 68 4.374 -5.222 -17.006 1.00 44.31 N ATOM 152 CA ALA A 68 3.824 -4.205 -17.894 1.00 62.43 C ATOM 153 C ALA A 68 2.833 -3.311 -17.158 1.00 11.03 C ATOM 154 O ALA A 68 3.015 -2.096 -17.082 1.00 13.45 O ATOM 155 CB ALA A 68 3.157 -4.859 -19.095 1.00 72.32 C ATOM 0 H ALA A 68 4.258 -6.179 -17.338 1.00 44.31 H new ATOM 0 HA ALA A 68 4.646 -3.580 -18.244 1.00 62.43 H new ATOM 0 HB1 ALA A 68 2.751 -4.088 -19.750 1.00 72.32 H new ATOM 0 HB2 ALA A 68 3.892 -5.450 -19.642 1.00 72.32 H new ATOM 0 HB3 ALA A 68 2.350 -5.508 -18.754 1.00 72.32 H new ATOM 161 N LYS A 69 1.783 -3.920 -16.617 1.00 11.53 N ATOM 162 CA LYS A 69 0.762 -3.179 -15.885 1.00 71.11 C ATOM 163 C LYS A 69 1.398 -2.220 -14.884 1.00 32.02 C ATOM 164 O LYS A 69 1.012 -1.055 -14.795 1.00 41.11 O ATOM 165 CB LYS A 69 -0.175 -4.146 -15.157 1.00 51.42 C ATOM 166 CG LYS A 69 -1.647 -3.883 -15.425 1.00 30.13 C ATOM 167 CD LYS A 69 -2.202 -4.836 -16.470 1.00 53.44 C ATOM 168 CE LYS A 69 -3.569 -5.368 -16.069 1.00 73.22 C ATOM 169 NZ LYS A 69 -3.861 -6.683 -16.705 1.00 42.10 N ATOM 0 H LYS A 69 1.617 -4.925 -16.672 1.00 11.53 H new ATOM 0 HA LYS A 69 0.186 -2.596 -16.604 1.00 71.11 H new ATOM 0 HB2 LYS A 69 0.064 -5.166 -15.458 1.00 51.42 H new ATOM 0 HB3 LYS A 69 0.008 -4.079 -14.085 1.00 51.42 H new ATOM 0 HG2 LYS A 69 -2.211 -3.989 -14.498 1.00 30.13 H new ATOM 0 HG3 LYS A 69 -1.778 -2.855 -15.762 1.00 30.13 H new ATOM 0 HD2 LYS A 69 -2.277 -4.323 -17.429 1.00 53.44 H new ATOM 0 HD3 LYS A 69 -1.512 -5.669 -16.607 1.00 53.44 H new ATOM 0 HE2 LYS A 69 -3.615 -5.471 -14.985 1.00 73.22 H new ATOM 0 HE3 LYS A 69 -4.337 -4.648 -16.354 1.00 73.22 H new ATOM 0 HZ1 LYS A 69 -4.802 -7.012 -16.407 1.00 42.10 H new ATOM 0 HZ2 LYS A 69 -3.842 -6.580 -17.740 1.00 42.10 H new ATOM 0 HZ3 LYS A 69 -3.143 -7.377 -16.413 1.00 42.10 H new ATOM 183 N ALA A 70 2.375 -2.718 -14.133 1.00 11.11 N ATOM 184 CA ALA A 70 3.066 -1.904 -13.141 1.00 3.01 C ATOM 185 C ALA A 70 3.525 -0.579 -13.741 1.00 32.11 C ATOM 186 O ALA A 70 3.230 0.489 -13.207 1.00 14.25 O ATOM 187 CB ALA A 70 4.253 -2.665 -12.568 1.00 52.01 C ATOM 0 H ALA A 70 2.706 -3.681 -14.193 1.00 11.11 H new ATOM 0 HA ALA A 70 2.365 -1.685 -12.335 1.00 3.01 H new ATOM 0 HB1 ALA A 70 4.760 -2.045 -11.828 1.00 52.01 H new ATOM 0 HB2 ALA A 70 3.903 -3.582 -12.094 1.00 52.01 H new ATOM 0 HB3 ALA A 70 4.948 -2.914 -13.370 1.00 52.01 H new ATOM 193 N GLU A 71 4.248 -0.657 -14.853 1.00 64.43 N ATOM 194 CA GLU A 71 4.749 0.537 -15.524 1.00 34.10 C ATOM 195 C GLU A 71 3.598 1.449 -15.940 1.00 3.53 C ATOM 196 O GLU A 71 3.759 2.666 -16.026 1.00 52.44 O ATOM 197 CB GLU A 71 5.577 0.151 -16.751 1.00 72.42 C ATOM 198 CG GLU A 71 6.454 -1.071 -16.534 1.00 2.45 C ATOM 199 CD GLU A 71 7.218 -1.015 -15.225 1.00 13.44 C ATOM 200 OE1 GLU A 71 6.585 -0.752 -14.180 1.00 41.43 O ATOM 201 OE2 GLU A 71 8.447 -1.233 -15.244 1.00 71.23 O ATOM 0 H GLU A 71 4.500 -1.534 -15.309 1.00 64.43 H new ATOM 0 HA GLU A 71 5.384 1.078 -14.822 1.00 34.10 H new ATOM 0 HB2 GLU A 71 4.904 -0.039 -17.588 1.00 72.42 H new ATOM 0 HB3 GLU A 71 6.207 0.994 -17.034 1.00 72.42 H new ATOM 0 HG2 GLU A 71 5.833 -1.967 -16.550 1.00 2.45 H new ATOM 0 HG3 GLU A 71 7.161 -1.158 -17.359 1.00 2.45 H new ATOM 208 N GLU A 72 2.439 0.851 -16.196 1.00 41.41 N ATOM 209 CA GLU A 72 1.263 1.610 -16.604 1.00 54.12 C ATOM 210 C GLU A 72 0.652 2.348 -15.416 1.00 42.22 C ATOM 211 O GLU A 72 0.291 3.520 -15.519 1.00 44.22 O ATOM 212 CB GLU A 72 0.221 0.681 -17.231 1.00 62.21 C ATOM 213 CG GLU A 72 0.528 0.306 -18.671 1.00 42.23 C ATOM 214 CD GLU A 72 0.289 1.452 -19.636 1.00 35.53 C ATOM 215 OE1 GLU A 72 1.190 2.303 -19.783 1.00 21.33 O ATOM 216 OE2 GLU A 72 -0.801 1.496 -20.244 1.00 35.11 O ATOM 0 H GLU A 72 2.289 -0.156 -16.128 1.00 41.41 H new ATOM 0 HA GLU A 72 1.577 2.346 -17.345 1.00 54.12 H new ATOM 0 HB2 GLU A 72 0.152 -0.229 -16.634 1.00 62.21 H new ATOM 0 HB3 GLU A 72 -0.755 1.164 -17.190 1.00 62.21 H new ATOM 0 HG2 GLU A 72 1.567 -0.016 -18.745 1.00 42.23 H new ATOM 0 HG3 GLU A 72 -0.090 -0.543 -18.961 1.00 42.23 H new ATOM 223 N MET A 73 0.540 1.653 -14.289 1.00 72.43 N ATOM 224 CA MET A 73 -0.026 2.242 -13.081 1.00 73.33 C ATOM 225 C MET A 73 0.778 3.462 -12.643 1.00 75.14 C ATOM 226 O MET A 73 0.214 4.458 -12.188 1.00 3.21 O ATOM 227 CB MET A 73 -0.063 1.209 -11.953 1.00 62.13 C ATOM 228 CG MET A 73 -0.923 -0.004 -12.268 1.00 33.14 C ATOM 229 SD MET A 73 -2.632 0.434 -12.642 1.00 44.54 S ATOM 230 CE MET A 73 -2.676 0.144 -14.409 1.00 43.33 C ATOM 0 H MET A 73 0.834 0.682 -14.187 1.00 72.43 H new ATOM 0 HA MET A 73 -1.044 2.561 -13.305 1.00 73.33 H new ATOM 0 HB2 MET A 73 0.954 0.878 -11.741 1.00 62.13 H new ATOM 0 HB3 MET A 73 -0.439 1.685 -11.047 1.00 62.13 H new ATOM 0 HG2 MET A 73 -0.495 -0.538 -13.117 1.00 33.14 H new ATOM 0 HG3 MET A 73 -0.905 -0.688 -11.419 1.00 33.14 H new ATOM 0 HE1 MET A 73 -3.676 0.354 -14.787 1.00 43.33 H new ATOM 0 HE2 MET A 73 -1.957 0.797 -14.903 1.00 43.33 H new ATOM 0 HE3 MET A 73 -2.422 -0.896 -14.613 1.00 43.33 H new ATOM 240 N LEU A 74 2.096 3.378 -12.784 1.00 32.23 N ATOM 241 CA LEU A 74 2.977 4.476 -12.402 1.00 65.42 C ATOM 242 C LEU A 74 3.034 5.535 -13.498 1.00 55.02 C ATOM 243 O LEU A 74 3.033 6.734 -13.217 1.00 73.54 O ATOM 244 CB LEU A 74 4.384 3.949 -12.114 1.00 4.25 C ATOM 245 CG LEU A 74 4.463 2.649 -11.312 1.00 43.22 C ATOM 246 CD1 LEU A 74 5.809 1.973 -11.523 1.00 2.21 C ATOM 247 CD2 LEU A 74 4.226 2.919 -9.834 1.00 35.14 C ATOM 0 H LEU A 74 2.578 2.561 -13.160 1.00 32.23 H new ATOM 0 HA LEU A 74 2.575 4.935 -11.499 1.00 65.42 H new ATOM 0 HB2 LEU A 74 4.895 3.798 -13.065 1.00 4.25 H new ATOM 0 HB3 LEU A 74 4.935 4.719 -11.575 1.00 4.25 H new ATOM 0 HG LEU A 74 3.682 1.977 -11.668 1.00 43.22 H new ATOM 0 HD11 LEU A 74 5.847 1.050 -10.945 1.00 2.21 H new ATOM 0 HD12 LEU A 74 5.939 1.744 -12.581 1.00 2.21 H new ATOM 0 HD13 LEU A 74 6.606 2.640 -11.195 1.00 2.21 H new ATOM 0 HD21 LEU A 74 4.286 1.983 -9.279 1.00 35.14 H new ATOM 0 HD22 LEU A 74 4.984 3.609 -9.464 1.00 35.14 H new ATOM 0 HD23 LEU A 74 3.238 3.359 -9.698 1.00 35.14 H new ATOM 259 N SER A 75 3.080 5.084 -14.748 1.00 1.52 N ATOM 260 CA SER A 75 3.138 5.994 -15.886 1.00 71.45 C ATOM 261 C SER A 75 1.928 6.922 -15.902 1.00 54.31 C ATOM 262 O SER A 75 2.052 8.119 -16.162 1.00 13.40 O ATOM 263 CB SER A 75 3.205 5.203 -17.194 1.00 62.15 C ATOM 264 OG SER A 75 4.519 4.732 -17.439 1.00 3.22 O ATOM 0 H SER A 75 3.078 4.095 -14.998 1.00 1.52 H new ATOM 0 HA SER A 75 4.038 6.601 -15.789 1.00 71.45 H new ATOM 0 HB2 SER A 75 2.516 4.360 -17.148 1.00 62.15 H new ATOM 0 HB3 SER A 75 2.882 5.835 -18.021 1.00 62.15 H new ATOM 0 HG SER A 75 4.639 3.860 -17.009 1.00 3.22 H new ATOM 270 N LYS A 76 0.756 6.362 -15.622 1.00 60.31 N ATOM 271 CA LYS A 76 -0.479 7.137 -15.602 1.00 4.20 C ATOM 272 C LYS A 76 -0.412 8.239 -14.549 1.00 31.42 C ATOM 273 O LYS A 76 -1.097 9.255 -14.658 1.00 13.13 O ATOM 274 CB LYS A 76 -1.675 6.223 -15.325 1.00 5.41 C ATOM 275 CG LYS A 76 -1.599 5.511 -13.985 1.00 45.35 C ATOM 276 CD LYS A 76 -2.978 5.125 -13.480 1.00 75.23 C ATOM 277 CE LYS A 76 -3.305 3.675 -13.806 1.00 13.44 C ATOM 278 NZ LYS A 76 -4.649 3.537 -14.433 1.00 44.23 N ATOM 0 H LYS A 76 0.635 5.373 -15.405 1.00 60.31 H new ATOM 0 HA LYS A 76 -0.604 7.601 -16.580 1.00 4.20 H new ATOM 0 HB2 LYS A 76 -2.590 6.815 -15.361 1.00 5.41 H new ATOM 0 HB3 LYS A 76 -1.745 5.479 -16.119 1.00 5.41 H new ATOM 0 HG2 LYS A 76 -0.983 4.617 -14.081 1.00 45.35 H new ATOM 0 HG3 LYS A 76 -1.111 6.158 -13.256 1.00 45.35 H new ATOM 0 HD2 LYS A 76 -3.028 5.277 -12.402 1.00 75.23 H new ATOM 0 HD3 LYS A 76 -3.727 5.778 -13.929 1.00 75.23 H new ATOM 0 HE2 LYS A 76 -2.547 3.274 -14.479 1.00 13.44 H new ATOM 0 HE3 LYS A 76 -3.267 3.080 -12.893 1.00 13.44 H new ATOM 0 HZ1 LYS A 76 -4.834 2.535 -14.640 1.00 44.23 H new ATOM 0 HZ2 LYS A 76 -5.375 3.896 -13.780 1.00 44.23 H new ATOM 0 HZ3 LYS A 76 -4.677 4.084 -15.317 1.00 44.23 H new ATOM 292 N GLN A 77 0.418 8.029 -13.532 1.00 14.42 N ATOM 293 CA GLN A 77 0.573 9.006 -12.460 1.00 61.12 C ATOM 294 C GLN A 77 1.041 10.349 -13.011 1.00 64.20 C ATOM 295 O GLN A 77 1.421 10.454 -14.177 1.00 60.24 O ATOM 296 CB GLN A 77 1.567 8.495 -11.416 1.00 64.22 C ATOM 297 CG GLN A 77 1.271 7.084 -10.933 1.00 40.21 C ATOM 298 CD GLN A 77 -0.033 6.992 -10.165 1.00 3.31 C ATOM 299 OE1 GLN A 77 -0.522 5.773 -9.972 1.00 54.11 O flip ATOM 300 NE2 GLN A 77 -0.594 8.006 -9.749 1.00 61.13 N flip ATOM 0 H GLN A 77 0.993 7.193 -13.428 1.00 14.42 H new ATOM 0 HA GLN A 77 -0.399 9.147 -11.987 1.00 61.12 H new ATOM 0 HB2 GLN A 77 2.571 8.522 -11.839 1.00 64.22 H new ATOM 0 HB3 GLN A 77 1.563 9.171 -10.561 1.00 64.22 H new ATOM 0 HG2 GLN A 77 1.232 6.411 -11.790 1.00 40.21 H new ATOM 0 HG3 GLN A 77 2.088 6.743 -10.297 1.00 40.21 H new ATOM 0 HE21 GLN A 77 -0.182 8.923 -9.920 1.00 61.13 H new ATOM 0 HE22 GLN A 77 -1.470 7.929 -9.233 1.00 61.13 H new ATOM 309 N ARG A 78 1.011 11.373 -12.165 1.00 22.14 N ATOM 310 CA ARG A 78 1.431 12.710 -12.567 1.00 62.45 C ATOM 311 C ARG A 78 2.765 13.077 -11.925 1.00 2.35 C ATOM 312 O ARG A 78 3.489 13.941 -12.422 1.00 21.43 O ATOM 313 CB ARG A 78 0.367 13.739 -12.183 1.00 52.14 C ATOM 314 CG ARG A 78 -1.057 13.237 -12.359 1.00 12.41 C ATOM 315 CD ARG A 78 -1.405 13.050 -13.827 1.00 42.24 C ATOM 316 NE ARG A 78 -2.672 13.687 -14.175 1.00 75.42 N ATOM 317 CZ ARG A 78 -3.045 13.948 -15.423 1.00 14.30 C ATOM 318 NH1 ARG A 78 -2.252 13.630 -16.436 1.00 61.42 N ATOM 319 NH2 ARG A 78 -4.215 14.530 -15.659 1.00 64.32 N ATOM 0 H ARG A 78 0.700 11.302 -11.196 1.00 22.14 H new ATOM 0 HA ARG A 78 1.556 12.714 -13.650 1.00 62.45 H new ATOM 0 HB2 ARG A 78 0.514 14.031 -11.143 1.00 52.14 H new ATOM 0 HB3 ARG A 78 0.505 14.635 -12.788 1.00 52.14 H new ATOM 0 HG2 ARG A 78 -1.178 12.291 -11.832 1.00 12.41 H new ATOM 0 HG3 ARG A 78 -1.752 13.945 -11.907 1.00 12.41 H new ATOM 0 HD2 ARG A 78 -0.609 13.466 -14.444 1.00 42.24 H new ATOM 0 HD3 ARG A 78 -1.460 11.985 -14.054 1.00 42.24 H new ATOM 0 HE ARG A 78 -3.305 13.946 -13.418 1.00 75.42 H new ATOM 0 HH11 ARG A 78 -1.352 13.183 -16.259 1.00 61.42 H new ATOM 0 HH12 ARG A 78 -2.541 13.832 -17.393 1.00 61.42 H new ATOM 0 HH21 ARG A 78 -4.828 14.777 -14.882 1.00 64.32 H new ATOM 0 HH22 ARG A 78 -4.501 14.730 -16.617 1.00 64.32 H new ATOM 333 N HIS A 79 3.084 12.417 -10.816 1.00 20.31 N ATOM 334 CA HIS A 79 4.331 12.674 -10.105 1.00 22.04 C ATOM 335 C HIS A 79 5.488 11.911 -10.743 1.00 41.20 C ATOM 336 O HIS A 79 5.380 11.431 -11.872 1.00 2.43 O ATOM 337 CB HIS A 79 4.195 12.279 -8.634 1.00 12.23 C ATOM 338 CG HIS A 79 2.788 12.347 -8.123 1.00 44.42 C ATOM 339 ND1 HIS A 79 1.785 13.210 -8.406 1.00 71.21 N flip ATOM 340 CD2 HIS A 79 2.277 11.455 -7.205 1.00 54.25 C flip ATOM 341 CE1 HIS A 79 0.696 12.826 -7.663 1.00 11.40 C flip ATOM 342 NE2 HIS A 79 1.019 11.764 -6.947 1.00 12.31 N flip ATOM 0 H HIS A 79 2.496 11.700 -10.390 1.00 20.31 H new ATOM 0 HA HIS A 79 4.543 13.741 -10.169 1.00 22.04 H new ATOM 0 HB2 HIS A 79 4.572 11.265 -8.502 1.00 12.23 H new ATOM 0 HB3 HIS A 79 4.824 12.934 -8.031 1.00 12.23 H new ATOM 0 HD2 HIS A 79 2.820 10.632 -6.765 1.00 54.25 H new ATOM 0 HE1 HIS A 79 -0.268 13.313 -7.664 1.00 11.40 H new ATOM 0 HE2 HIS A 79 0.402 11.267 -6.304 1.00 12.31 H new ATOM 350 N ASP A 80 6.593 11.804 -10.014 1.00 45.32 N ATOM 351 CA ASP A 80 7.770 11.100 -10.509 1.00 65.31 C ATOM 352 C ASP A 80 8.409 10.264 -9.404 1.00 15.23 C ATOM 353 O ASP A 80 8.862 10.797 -8.392 1.00 0.30 O ATOM 354 CB ASP A 80 8.790 12.095 -11.066 1.00 72.55 C ATOM 355 CG ASP A 80 8.137 13.211 -11.857 1.00 15.34 C ATOM 356 OD1 ASP A 80 7.144 12.936 -12.562 1.00 52.31 O ATOM 357 OD2 ASP A 80 8.619 14.360 -11.770 1.00 54.42 O ATOM 0 H ASP A 80 6.698 12.196 -9.078 1.00 45.32 H new ATOM 0 HA ASP A 80 7.452 10.431 -11.309 1.00 65.31 H new ATOM 0 HB2 ASP A 80 9.362 12.523 -10.243 1.00 72.55 H new ATOM 0 HB3 ASP A 80 9.497 11.566 -11.705 1.00 72.55 H new ATOM 362 N GLY A 81 8.439 8.950 -9.604 1.00 52.14 N ATOM 363 CA GLY A 81 9.022 8.062 -8.616 1.00 31.01 C ATOM 364 C GLY A 81 7.982 7.207 -7.919 1.00 11.40 C ATOM 365 O GLY A 81 8.210 6.718 -6.813 1.00 45.32 O ATOM 0 H GLY A 81 8.070 8.485 -10.433 1.00 52.14 H new ATOM 0 HA2 GLY A 81 9.754 7.416 -9.100 1.00 31.01 H new ATOM 0 HA3 GLY A 81 9.559 8.652 -7.874 1.00 31.01 H new ATOM 369 N ALA A 82 6.835 7.028 -8.566 1.00 41.34 N ATOM 370 CA ALA A 82 5.756 6.227 -8.002 1.00 24.10 C ATOM 371 C ALA A 82 6.217 4.798 -7.733 1.00 53.20 C ATOM 372 O ALA A 82 6.777 4.140 -8.610 1.00 41.40 O ATOM 373 CB ALA A 82 4.554 6.229 -8.934 1.00 52.30 C ATOM 0 H ALA A 82 6.629 7.427 -9.482 1.00 41.34 H new ATOM 0 HA ALA A 82 5.465 6.673 -7.051 1.00 24.10 H new ATOM 0 HB1 ALA A 82 3.756 5.627 -8.500 1.00 52.30 H new ATOM 0 HB2 ALA A 82 4.203 7.251 -9.072 1.00 52.30 H new ATOM 0 HB3 ALA A 82 4.841 5.810 -9.899 1.00 52.30 H new ATOM 379 N PHE A 83 5.977 4.324 -6.515 1.00 25.20 N ATOM 380 CA PHE A 83 6.369 2.973 -6.130 1.00 63.10 C ATOM 381 C PHE A 83 5.150 2.060 -6.031 1.00 43.41 C ATOM 382 O PHE A 83 4.062 2.498 -5.656 1.00 33.12 O ATOM 383 CB PHE A 83 7.113 2.996 -4.793 1.00 11.20 C ATOM 384 CG PHE A 83 6.210 2.848 -3.602 1.00 54.51 C ATOM 385 CD1 PHE A 83 5.766 1.598 -3.203 1.00 60.25 C ATOM 386 CD2 PHE A 83 5.805 3.960 -2.881 1.00 34.01 C ATOM 387 CE1 PHE A 83 4.934 1.459 -2.108 1.00 42.25 C ATOM 388 CE2 PHE A 83 4.973 3.828 -1.785 1.00 21.43 C ATOM 389 CZ PHE A 83 4.538 2.575 -1.397 1.00 43.35 C ATOM 0 H PHE A 83 5.513 4.855 -5.778 1.00 25.20 H new ATOM 0 HA PHE A 83 7.033 2.581 -6.901 1.00 63.10 H new ATOM 0 HB2 PHE A 83 7.850 2.193 -4.782 1.00 11.20 H new ATOM 0 HB3 PHE A 83 7.662 3.934 -4.708 1.00 11.20 H new ATOM 0 HD1 PHE A 83 6.074 0.722 -3.754 1.00 60.25 H new ATOM 0 HD2 PHE A 83 6.143 4.941 -3.179 1.00 34.01 H new ATOM 0 HE1 PHE A 83 4.594 0.479 -1.809 1.00 42.25 H new ATOM 0 HE2 PHE A 83 4.663 4.703 -1.233 1.00 21.43 H new ATOM 0 HZ PHE A 83 3.890 2.469 -0.540 1.00 43.35 H new ATOM 399 N LEU A 84 5.341 0.790 -6.371 1.00 13.33 N ATOM 400 CA LEU A 84 4.257 -0.186 -6.321 1.00 44.51 C ATOM 401 C LEU A 84 4.804 -1.596 -6.124 1.00 53.02 C ATOM 402 O LEU A 84 5.486 -2.135 -6.996 1.00 61.00 O ATOM 403 CB LEU A 84 3.428 -0.122 -7.605 1.00 63.00 C ATOM 404 CG LEU A 84 2.460 -1.283 -7.837 1.00 0.43 C ATOM 405 CD1 LEU A 84 1.397 -0.896 -8.853 1.00 14.22 C ATOM 406 CD2 LEU A 84 3.214 -2.522 -8.296 1.00 74.23 C ATOM 0 H LEU A 84 6.235 0.412 -6.684 1.00 13.33 H new ATOM 0 HA LEU A 84 3.619 0.058 -5.472 1.00 44.51 H new ATOM 0 HB2 LEU A 84 2.856 0.806 -7.599 1.00 63.00 H new ATOM 0 HB3 LEU A 84 4.111 -0.070 -8.453 1.00 63.00 H new ATOM 0 HG LEU A 84 1.965 -1.513 -6.894 1.00 0.43 H new ATOM 0 HD11 LEU A 84 0.717 -1.734 -9.006 1.00 14.22 H new ATOM 0 HD12 LEU A 84 0.837 -0.037 -8.484 1.00 14.22 H new ATOM 0 HD13 LEU A 84 1.874 -0.639 -9.799 1.00 14.22 H new ATOM 0 HD21 LEU A 84 2.509 -3.338 -8.456 1.00 74.23 H new ATOM 0 HD22 LEU A 84 3.737 -2.306 -9.228 1.00 74.23 H new ATOM 0 HD23 LEU A 84 3.937 -2.811 -7.533 1.00 74.23 H new ATOM 418 N ILE A 85 4.497 -2.188 -4.975 1.00 63.41 N ATOM 419 CA ILE A 85 4.955 -3.537 -4.666 1.00 32.41 C ATOM 420 C ILE A 85 3.922 -4.578 -5.085 1.00 51.10 C ATOM 421 O ILE A 85 2.824 -4.636 -4.531 1.00 2.13 O ATOM 422 CB ILE A 85 5.251 -3.701 -3.163 1.00 41.24 C ATOM 423 CG1 ILE A 85 6.298 -2.680 -2.714 1.00 1.33 C ATOM 424 CG2 ILE A 85 5.723 -5.117 -2.867 1.00 52.45 C ATOM 425 CD1 ILE A 85 6.792 -2.902 -1.301 1.00 73.43 C ATOM 0 H ILE A 85 3.934 -1.755 -4.243 1.00 63.41 H new ATOM 0 HA ILE A 85 5.875 -3.694 -5.229 1.00 32.41 H new ATOM 0 HB ILE A 85 4.332 -3.522 -2.605 1.00 41.24 H new ATOM 0 HG12 ILE A 85 7.147 -2.718 -3.397 1.00 1.33 H new ATOM 0 HG13 ILE A 85 5.873 -1.679 -2.789 1.00 1.33 H new ATOM 0 HG21 ILE A 85 5.928 -5.217 -1.801 1.00 52.45 H new ATOM 0 HG22 ILE A 85 4.948 -5.827 -3.155 1.00 52.45 H new ATOM 0 HG23 ILE A 85 6.632 -5.323 -3.432 1.00 52.45 H new ATOM 0 HD11 ILE A 85 7.532 -2.142 -1.050 1.00 73.43 H new ATOM 0 HD12 ILE A 85 5.954 -2.835 -0.608 1.00 73.43 H new ATOM 0 HD13 ILE A 85 7.247 -3.890 -1.226 1.00 73.43 H new ATOM 437 N ARG A 86 4.282 -5.399 -6.066 1.00 33.10 N ATOM 438 CA ARG A 86 3.386 -6.439 -6.559 1.00 43.53 C ATOM 439 C ARG A 86 3.879 -7.822 -6.145 1.00 61.13 C ATOM 440 O ARG A 86 5.076 -8.032 -5.949 1.00 14.52 O ATOM 441 CB ARG A 86 3.271 -6.361 -8.083 1.00 30.32 C ATOM 442 CG ARG A 86 4.570 -6.670 -8.808 1.00 63.24 C ATOM 443 CD ARG A 86 4.809 -5.705 -9.959 1.00 2.33 C ATOM 444 NE ARG A 86 5.078 -6.403 -11.213 1.00 31.23 N ATOM 445 CZ ARG A 86 6.282 -6.835 -11.570 1.00 22.21 C ATOM 446 NH1 ARG A 86 7.323 -6.642 -10.772 1.00 2.42 N ATOM 447 NH2 ARG A 86 6.447 -7.463 -12.727 1.00 40.34 N ATOM 0 H ARG A 86 5.187 -5.365 -6.535 1.00 33.10 H new ATOM 0 HA ARG A 86 2.402 -6.276 -6.118 1.00 43.53 H new ATOM 0 HB2 ARG A 86 2.503 -7.059 -8.417 1.00 30.32 H new ATOM 0 HB3 ARG A 86 2.937 -5.362 -8.363 1.00 30.32 H new ATOM 0 HG2 ARG A 86 5.402 -6.614 -8.106 1.00 63.24 H new ATOM 0 HG3 ARG A 86 4.542 -7.691 -9.188 1.00 63.24 H new ATOM 0 HD2 ARG A 86 3.936 -5.064 -10.081 1.00 2.33 H new ATOM 0 HD3 ARG A 86 5.650 -5.055 -9.718 1.00 2.33 H new ATOM 0 HE ARG A 86 4.298 -6.568 -11.850 1.00 31.23 H new ATOM 0 HH11 ARG A 86 7.200 -6.161 -9.881 1.00 2.42 H new ATOM 0 HH12 ARG A 86 8.247 -6.975 -11.049 1.00 2.42 H new ATOM 0 HH21 ARG A 86 5.649 -7.614 -13.343 1.00 40.34 H new ATOM 0 HH22 ARG A 86 7.372 -7.794 -13.000 1.00 40.34 H new ATOM 461 N GLU A 87 2.948 -8.762 -6.015 1.00 11.24 N ATOM 462 CA GLU A 87 3.288 -10.124 -5.623 1.00 24.44 C ATOM 463 C GLU A 87 3.152 -11.080 -6.804 1.00 65.51 C ATOM 464 O GLU A 87 2.247 -10.943 -7.627 1.00 30.15 O ATOM 465 CB GLU A 87 2.392 -10.587 -4.472 1.00 53.03 C ATOM 466 CG GLU A 87 2.771 -11.948 -3.914 1.00 65.21 C ATOM 467 CD GLU A 87 1.573 -12.724 -3.403 1.00 21.11 C ATOM 468 OE1 GLU A 87 0.584 -12.083 -2.990 1.00 41.32 O ATOM 469 OE2 GLU A 87 1.624 -13.972 -3.415 1.00 40.43 O ATOM 0 H GLU A 87 1.953 -8.605 -6.175 1.00 11.24 H new ATOM 0 HA GLU A 87 4.326 -10.130 -5.290 1.00 24.44 H new ATOM 0 HB2 GLU A 87 2.436 -9.850 -3.670 1.00 53.03 H new ATOM 0 HB3 GLU A 87 1.359 -10.621 -4.818 1.00 53.03 H new ATOM 0 HG2 GLU A 87 3.271 -12.528 -4.690 1.00 65.21 H new ATOM 0 HG3 GLU A 87 3.487 -11.817 -3.103 1.00 65.21 H new ATOM 476 N SER A 88 4.060 -12.049 -6.881 1.00 54.05 N ATOM 477 CA SER A 88 4.044 -13.026 -7.964 1.00 45.21 C ATOM 478 C SER A 88 2.887 -14.005 -7.796 1.00 20.42 C ATOM 479 O SER A 88 2.325 -14.137 -6.709 1.00 52.32 O ATOM 480 CB SER A 88 5.370 -13.788 -8.010 1.00 61.11 C ATOM 481 OG SER A 88 6.373 -13.028 -8.661 1.00 3.31 O ATOM 0 H SER A 88 4.815 -12.178 -6.207 1.00 54.05 H new ATOM 0 HA SER A 88 3.908 -12.489 -8.903 1.00 45.21 H new ATOM 0 HB2 SER A 88 5.691 -14.027 -6.996 1.00 61.11 H new ATOM 0 HB3 SER A 88 5.231 -14.735 -8.532 1.00 61.11 H new ATOM 0 HG SER A 88 7.211 -13.536 -8.676 1.00 3.31 H new ATOM 487 N GLU A 89 2.537 -14.691 -8.880 1.00 44.51 N ATOM 488 CA GLU A 89 1.446 -15.658 -8.853 1.00 5.31 C ATOM 489 C GLU A 89 1.981 -17.076 -8.672 1.00 52.44 C ATOM 490 O GLU A 89 1.375 -17.896 -7.983 1.00 53.21 O ATOM 491 CB GLU A 89 0.626 -15.570 -10.141 1.00 73.33 C ATOM 492 CG GLU A 89 1.392 -14.979 -11.312 1.00 41.42 C ATOM 493 CD GLU A 89 0.570 -14.936 -12.586 1.00 21.32 C ATOM 494 OE1 GLU A 89 0.270 -16.017 -13.135 1.00 15.32 O ATOM 495 OE2 GLU A 89 0.227 -13.822 -13.033 1.00 44.31 O ATOM 0 H GLU A 89 2.993 -14.595 -9.787 1.00 44.51 H new ATOM 0 HA GLU A 89 0.803 -15.420 -8.005 1.00 5.31 H new ATOM 0 HB2 GLU A 89 0.281 -16.568 -10.411 1.00 73.33 H new ATOM 0 HB3 GLU A 89 -0.261 -14.965 -9.956 1.00 73.33 H new ATOM 0 HG2 GLU A 89 1.714 -13.969 -11.058 1.00 41.42 H new ATOM 0 HG3 GLU A 89 2.293 -15.567 -11.485 1.00 41.42 H new ATOM 502 N SER A 90 3.120 -17.357 -9.298 1.00 14.43 N ATOM 503 CA SER A 90 3.734 -18.676 -9.210 1.00 62.14 C ATOM 504 C SER A 90 4.906 -18.666 -8.234 1.00 21.04 C ATOM 505 O SER A 90 5.599 -19.669 -8.069 1.00 25.23 O ATOM 506 CB SER A 90 4.210 -19.133 -10.591 1.00 0.32 C ATOM 507 OG SER A 90 3.276 -20.017 -11.185 1.00 62.43 O ATOM 0 H SER A 90 3.635 -16.689 -9.871 1.00 14.43 H new ATOM 0 HA SER A 90 2.983 -19.375 -8.842 1.00 62.14 H new ATOM 0 HB2 SER A 90 4.355 -18.265 -11.235 1.00 0.32 H new ATOM 0 HB3 SER A 90 5.177 -19.628 -10.501 1.00 0.32 H new ATOM 0 HG SER A 90 3.602 -20.293 -12.067 1.00 62.43 H new ATOM 513 N ALA A 91 5.121 -17.524 -7.588 1.00 73.15 N ATOM 514 CA ALA A 91 6.207 -17.382 -6.627 1.00 34.55 C ATOM 515 C ALA A 91 5.695 -16.839 -5.297 1.00 12.30 C ATOM 516 O ALA A 91 5.555 -15.631 -5.105 1.00 44.42 O ATOM 517 CB ALA A 91 7.293 -16.476 -7.187 1.00 31.34 C ATOM 0 H ALA A 91 4.557 -16.684 -7.713 1.00 73.15 H new ATOM 0 HA ALA A 91 6.631 -18.370 -6.447 1.00 34.55 H new ATOM 0 HB1 ALA A 91 8.098 -16.379 -6.458 1.00 31.34 H new ATOM 0 HB2 ALA A 91 7.687 -16.907 -8.108 1.00 31.34 H new ATOM 0 HB3 ALA A 91 6.873 -15.492 -7.397 1.00 31.34 H new ATOM 523 N PRO A 92 5.407 -17.750 -4.356 1.00 10.24 N ATOM 524 CA PRO A 92 4.906 -17.384 -3.027 1.00 72.44 C ATOM 525 C PRO A 92 5.968 -16.697 -2.176 1.00 54.41 C ATOM 526 O PRO A 92 7.154 -17.004 -2.279 1.00 4.03 O ATOM 527 CB PRO A 92 4.517 -18.731 -2.412 1.00 70.01 C ATOM 528 CG PRO A 92 5.369 -19.730 -3.117 1.00 10.52 C ATOM 529 CD PRO A 92 5.549 -19.207 -4.515 1.00 42.31 C ATOM 0 HA PRO A 92 4.083 -16.672 -3.083 1.00 72.44 H new ATOM 0 HB2 PRO A 92 4.700 -18.743 -1.337 1.00 70.01 H new ATOM 0 HB3 PRO A 92 3.457 -18.941 -2.558 1.00 70.01 H new ATOM 0 HG2 PRO A 92 6.330 -19.845 -2.617 1.00 10.52 H new ATOM 0 HG3 PRO A 92 4.894 -20.711 -3.125 1.00 10.52 H new ATOM 0 HD2 PRO A 92 6.525 -19.474 -4.921 1.00 42.31 H new ATOM 0 HD3 PRO A 92 4.799 -19.612 -5.195 1.00 42.31 H new ATOM 537 N GLY A 93 5.532 -15.764 -1.335 1.00 2.44 N ATOM 538 CA GLY A 93 6.459 -15.047 -0.477 1.00 74.24 C ATOM 539 C GLY A 93 7.470 -14.238 -1.265 1.00 61.50 C ATOM 540 O GLY A 93 8.564 -13.955 -0.776 1.00 51.54 O ATOM 0 H GLY A 93 4.554 -15.492 -1.232 1.00 2.44 H new ATOM 0 HA2 GLY A 93 5.900 -14.382 0.181 1.00 74.24 H new ATOM 0 HA3 GLY A 93 6.984 -15.759 0.160 1.00 74.24 H new ATOM 544 N ASP A 94 7.106 -13.868 -2.488 1.00 10.14 N ATOM 545 CA ASP A 94 7.990 -13.087 -3.345 1.00 62.42 C ATOM 546 C ASP A 94 7.445 -11.677 -3.548 1.00 20.21 C ATOM 547 O ASP A 94 6.328 -11.496 -4.033 1.00 10.11 O ATOM 548 CB ASP A 94 8.165 -13.779 -4.698 1.00 61.30 C ATOM 549 CG ASP A 94 9.610 -13.797 -5.157 1.00 11.21 C ATOM 550 OD1 ASP A 94 10.341 -14.738 -4.782 1.00 14.23 O ATOM 551 OD2 ASP A 94 10.010 -12.870 -5.892 1.00 32.11 O ATOM 0 H ASP A 94 6.205 -14.096 -2.908 1.00 10.14 H new ATOM 0 HA ASP A 94 8.960 -13.014 -2.854 1.00 62.42 H new ATOM 0 HB2 ASP A 94 7.796 -14.802 -4.630 1.00 61.30 H new ATOM 0 HB3 ASP A 94 7.556 -13.270 -5.445 1.00 61.30 H new ATOM 556 N PHE A 95 8.241 -10.681 -3.172 1.00 75.13 N ATOM 557 CA PHE A 95 7.837 -9.287 -3.311 1.00 0.41 C ATOM 558 C PHE A 95 8.734 -8.557 -4.307 1.00 74.42 C ATOM 559 O PHE A 95 9.947 -8.765 -4.335 1.00 34.21 O ATOM 560 CB PHE A 95 7.886 -8.582 -1.953 1.00 75.34 C ATOM 561 CG PHE A 95 6.723 -8.916 -1.063 1.00 53.21 C ATOM 562 CD1 PHE A 95 5.488 -8.319 -1.261 1.00 61.11 C ATOM 563 CD2 PHE A 95 6.865 -9.826 -0.028 1.00 14.32 C ATOM 564 CE1 PHE A 95 4.416 -8.624 -0.444 1.00 32.11 C ATOM 565 CE2 PHE A 95 5.796 -10.135 0.792 1.00 10.13 C ATOM 566 CZ PHE A 95 4.570 -9.532 0.585 1.00 64.52 C ATOM 0 H PHE A 95 9.169 -10.813 -2.769 1.00 75.13 H new ATOM 0 HA PHE A 95 6.814 -9.267 -3.687 1.00 0.41 H new ATOM 0 HB2 PHE A 95 8.812 -8.853 -1.445 1.00 75.34 H new ATOM 0 HB3 PHE A 95 7.913 -7.504 -2.113 1.00 75.34 H new ATOM 0 HD1 PHE A 95 5.362 -7.607 -2.063 1.00 61.11 H new ATOM 0 HD2 PHE A 95 7.821 -10.299 0.140 1.00 14.32 H new ATOM 0 HE1 PHE A 95 3.459 -8.153 -0.610 1.00 32.11 H new ATOM 0 HE2 PHE A 95 5.919 -10.848 1.594 1.00 10.13 H new ATOM 0 HZ PHE A 95 3.734 -9.770 1.226 1.00 64.52 H new ATOM 576 N SER A 96 8.127 -7.702 -5.124 1.00 60.44 N ATOM 577 CA SER A 96 8.869 -6.945 -6.126 1.00 33.12 C ATOM 578 C SER A 96 8.373 -5.504 -6.193 1.00 44.45 C ATOM 579 O SER A 96 7.201 -5.250 -6.474 1.00 41.10 O ATOM 580 CB SER A 96 8.735 -7.607 -7.499 1.00 23.14 C ATOM 581 OG SER A 96 7.388 -7.604 -7.937 1.00 71.15 O ATOM 0 H SER A 96 7.124 -7.516 -5.112 1.00 60.44 H new ATOM 0 HA SER A 96 9.920 -6.937 -5.836 1.00 33.12 H new ATOM 0 HB2 SER A 96 9.357 -7.080 -8.223 1.00 23.14 H new ATOM 0 HB3 SER A 96 9.102 -8.632 -7.449 1.00 23.14 H new ATOM 0 HG SER A 96 6.801 -7.850 -7.192 1.00 71.15 H new ATOM 587 N LEU A 97 9.274 -4.563 -5.934 1.00 45.44 N ATOM 588 CA LEU A 97 8.931 -3.145 -5.965 1.00 60.14 C ATOM 589 C LEU A 97 9.113 -2.571 -7.367 1.00 32.31 C ATOM 590 O LEU A 97 10.101 -2.858 -8.043 1.00 31.43 O ATOM 591 CB LEU A 97 9.794 -2.369 -4.968 1.00 75.24 C ATOM 592 CG LEU A 97 9.657 -0.847 -5.005 1.00 50.34 C ATOM 593 CD1 LEU A 97 10.285 -0.285 -6.272 1.00 13.05 C ATOM 594 CD2 LEU A 97 8.194 -0.440 -4.908 1.00 11.15 C ATOM 0 H LEU A 97 10.248 -4.756 -5.700 1.00 45.44 H new ATOM 0 HA LEU A 97 7.883 -3.044 -5.684 1.00 60.14 H new ATOM 0 HB2 LEU A 97 9.549 -2.712 -3.963 1.00 75.24 H new ATOM 0 HB3 LEU A 97 10.839 -2.624 -5.146 1.00 75.24 H new ATOM 0 HG LEU A 97 10.186 -0.433 -4.147 1.00 50.34 H new ATOM 0 HD11 LEU A 97 10.178 0.800 -6.281 1.00 13.05 H new ATOM 0 HD12 LEU A 97 11.343 -0.545 -6.300 1.00 13.05 H new ATOM 0 HD13 LEU A 97 9.784 -0.706 -7.144 1.00 13.05 H new ATOM 0 HD21 LEU A 97 8.116 0.647 -4.936 1.00 11.15 H new ATOM 0 HD22 LEU A 97 7.642 -0.865 -5.746 1.00 11.15 H new ATOM 0 HD23 LEU A 97 7.775 -0.810 -3.972 1.00 11.15 H new ATOM 606 N SER A 98 8.154 -1.757 -7.797 1.00 31.34 N ATOM 607 CA SER A 98 8.207 -1.144 -9.118 1.00 42.14 C ATOM 608 C SER A 98 8.186 0.378 -9.012 1.00 61.13 C ATOM 609 O SER A 98 7.154 0.977 -8.711 1.00 34.44 O ATOM 610 CB SER A 98 7.033 -1.623 -9.974 1.00 61.21 C ATOM 611 OG SER A 98 6.893 -3.032 -9.905 1.00 12.43 O ATOM 0 H SER A 98 7.331 -1.507 -7.249 1.00 31.34 H new ATOM 0 HA SER A 98 9.140 -1.445 -9.593 1.00 42.14 H new ATOM 0 HB2 SER A 98 6.113 -1.146 -9.635 1.00 61.21 H new ATOM 0 HB3 SER A 98 7.186 -1.320 -11.010 1.00 61.21 H new ATOM 0 HG SER A 98 6.668 -3.382 -10.792 1.00 12.43 H new ATOM 617 N VAL A 99 9.335 0.998 -9.263 1.00 12.33 N ATOM 618 CA VAL A 99 9.450 2.450 -9.197 1.00 13.31 C ATOM 619 C VAL A 99 9.599 3.053 -10.589 1.00 52.51 C ATOM 620 O VAL A 99 10.341 2.538 -11.425 1.00 43.11 O ATOM 621 CB VAL A 99 10.650 2.880 -8.332 1.00 73.31 C ATOM 622 CG1 VAL A 99 11.533 3.857 -9.092 1.00 63.03 C ATOM 623 CG2 VAL A 99 10.172 3.488 -7.022 1.00 55.25 C ATOM 0 H VAL A 99 10.199 0.517 -9.514 1.00 12.33 H new ATOM 0 HA VAL A 99 8.532 2.820 -8.740 1.00 13.31 H new ATOM 0 HB VAL A 99 11.244 1.996 -8.100 1.00 73.31 H new ATOM 0 HG11 VAL A 99 12.375 4.150 -8.465 1.00 63.03 H new ATOM 0 HG12 VAL A 99 11.904 3.382 -10.000 1.00 63.03 H new ATOM 0 HG13 VAL A 99 10.953 4.741 -9.357 1.00 63.03 H new ATOM 0 HG21 VAL A 99 11.033 3.786 -6.424 1.00 55.25 H new ATOM 0 HG22 VAL A 99 9.555 4.362 -7.230 1.00 55.25 H new ATOM 0 HG23 VAL A 99 9.585 2.752 -6.472 1.00 55.25 H new ATOM 633 N LYS A 100 8.888 4.150 -10.832 1.00 61.51 N ATOM 634 CA LYS A 100 8.941 4.826 -12.123 1.00 5.14 C ATOM 635 C LYS A 100 10.108 5.807 -12.175 1.00 4.02 C ATOM 636 O LYS A 100 10.392 6.503 -11.199 1.00 73.33 O ATOM 637 CB LYS A 100 7.628 5.565 -12.389 1.00 20.11 C ATOM 638 CG LYS A 100 7.661 6.435 -13.633 1.00 43.42 C ATOM 639 CD LYS A 100 6.335 7.142 -13.855 1.00 14.21 C ATOM 640 CE LYS A 100 6.247 8.429 -13.049 1.00 31.25 C ATOM 641 NZ LYS A 100 5.912 9.599 -13.906 1.00 41.22 N ATOM 0 H LYS A 100 8.268 4.589 -10.151 1.00 61.51 H new ATOM 0 HA LYS A 100 9.089 4.071 -12.895 1.00 5.14 H new ATOM 0 HB2 LYS A 100 6.824 4.836 -12.487 1.00 20.11 H new ATOM 0 HB3 LYS A 100 7.390 6.188 -11.527 1.00 20.11 H new ATOM 0 HG2 LYS A 100 8.457 7.174 -13.540 1.00 43.42 H new ATOM 0 HG3 LYS A 100 7.896 5.820 -14.502 1.00 43.42 H new ATOM 0 HD2 LYS A 100 6.214 7.366 -14.915 1.00 14.21 H new ATOM 0 HD3 LYS A 100 5.517 6.479 -13.574 1.00 14.21 H new ATOM 0 HE2 LYS A 100 5.490 8.320 -12.272 1.00 31.25 H new ATOM 0 HE3 LYS A 100 7.197 8.608 -12.546 1.00 31.25 H new ATOM 0 HZ1 LYS A 100 5.597 10.389 -13.307 1.00 41.22 H new ATOM 0 HZ2 LYS A 100 6.754 9.887 -14.445 1.00 41.22 H new ATOM 0 HZ3 LYS A 100 5.151 9.340 -14.565 1.00 41.22 H new ATOM 655 N PHE A 101 10.781 5.859 -13.320 1.00 24.44 N ATOM 656 CA PHE A 101 11.917 6.755 -13.499 1.00 4.11 C ATOM 657 C PHE A 101 11.851 7.453 -14.854 1.00 53.30 C ATOM 658 O PHE A 101 12.331 6.930 -15.859 1.00 11.05 O ATOM 659 CB PHE A 101 13.231 5.979 -13.376 1.00 54.42 C ATOM 660 CG PHE A 101 13.613 5.669 -11.957 1.00 61.23 C ATOM 661 CD1 PHE A 101 13.788 6.687 -11.034 1.00 55.11 C ATOM 662 CD2 PHE A 101 13.799 4.358 -11.547 1.00 13.50 C ATOM 663 CE1 PHE A 101 14.139 6.405 -9.727 1.00 61.25 C ATOM 664 CE2 PHE A 101 14.150 4.070 -10.242 1.00 11.13 C ATOM 665 CZ PHE A 101 14.322 5.094 -9.331 1.00 55.42 C ATOM 0 H PHE A 101 10.559 5.291 -14.138 1.00 24.44 H new ATOM 0 HA PHE A 101 11.876 7.513 -12.717 1.00 4.11 H new ATOM 0 HB2 PHE A 101 13.146 5.046 -13.933 1.00 54.42 H new ATOM 0 HB3 PHE A 101 14.030 6.557 -13.841 1.00 54.42 H new ATOM 0 HD1 PHE A 101 13.649 7.714 -11.339 1.00 55.11 H new ATOM 0 HD2 PHE A 101 13.668 3.553 -12.255 1.00 13.50 H new ATOM 0 HE1 PHE A 101 14.270 7.208 -9.017 1.00 61.25 H new ATOM 0 HE2 PHE A 101 14.290 3.044 -9.934 1.00 11.13 H new ATOM 0 HZ PHE A 101 14.599 4.870 -8.311 1.00 55.42 H new ATOM 675 N GLY A 102 11.250 8.640 -14.873 1.00 64.41 N ATOM 676 CA GLY A 102 11.131 9.390 -16.109 1.00 55.52 C ATOM 677 C GLY A 102 10.237 8.702 -17.122 1.00 31.24 C ATOM 678 O GLY A 102 9.041 8.532 -16.889 1.00 71.32 O ATOM 0 H GLY A 102 10.844 9.094 -14.055 1.00 64.41 H new ATOM 0 HA2 GLY A 102 10.733 10.381 -15.892 1.00 55.52 H new ATOM 0 HA3 GLY A 102 12.122 9.532 -16.541 1.00 55.52 H new ATOM 682 N ASN A 103 10.818 8.306 -18.249 1.00 64.03 N ATOM 683 CA ASN A 103 10.066 7.634 -19.302 1.00 73.03 C ATOM 684 C ASN A 103 10.287 6.125 -19.251 1.00 11.30 C ATOM 685 O ASN A 103 9.835 5.391 -20.130 1.00 44.11 O ATOM 686 CB ASN A 103 10.474 8.174 -20.674 1.00 43.32 C ATOM 687 CG ASN A 103 11.843 8.826 -20.655 1.00 5.15 C ATOM 688 OD1 ASN A 103 11.995 9.964 -20.210 1.00 40.23 O ATOM 689 ND2 ASN A 103 12.849 8.105 -21.138 1.00 13.33 N ATOM 0 H ASN A 103 11.808 8.439 -18.457 1.00 64.03 H new ATOM 0 HA ASN A 103 9.007 7.834 -19.141 1.00 73.03 H new ATOM 0 HB2 ASN A 103 10.473 7.359 -21.397 1.00 43.32 H new ATOM 0 HB3 ASN A 103 9.734 8.900 -21.011 1.00 43.32 H new ATOM 0 HD21 ASN A 103 13.793 8.491 -21.150 1.00 13.33 H new ATOM 0 HD22 ASN A 103 12.677 7.166 -21.497 1.00 13.33 H new ATOM 696 N ASP A 104 10.984 5.670 -18.216 1.00 12.13 N ATOM 697 CA ASP A 104 11.264 4.249 -18.048 1.00 72.21 C ATOM 698 C ASP A 104 11.050 3.820 -16.600 1.00 35.21 C ATOM 699 O ASP A 104 11.529 4.470 -15.671 1.00 45.12 O ATOM 700 CB ASP A 104 12.697 3.935 -18.479 1.00 45.30 C ATOM 701 CG ASP A 104 12.949 4.265 -19.937 1.00 50.52 C ATOM 702 OD1 ASP A 104 12.578 3.446 -20.803 1.00 55.31 O ATOM 703 OD2 ASP A 104 13.518 5.343 -20.212 1.00 60.23 O ATOM 0 H ASP A 104 11.366 6.265 -17.480 1.00 12.13 H new ATOM 0 HA ASP A 104 10.572 3.691 -18.679 1.00 72.21 H new ATOM 0 HB2 ASP A 104 13.392 4.499 -17.857 1.00 45.30 H new ATOM 0 HB3 ASP A 104 12.901 2.878 -18.308 1.00 45.30 H new ATOM 708 N VAL A 105 10.324 2.721 -16.414 1.00 45.25 N ATOM 709 CA VAL A 105 10.046 2.205 -15.080 1.00 3.15 C ATOM 710 C VAL A 105 10.983 1.055 -14.729 1.00 23.22 C ATOM 711 O VAL A 105 11.242 0.179 -15.554 1.00 44.40 O ATOM 712 CB VAL A 105 8.589 1.721 -14.957 1.00 41.23 C ATOM 713 CG1 VAL A 105 8.328 1.158 -13.569 1.00 21.23 C ATOM 714 CG2 VAL A 105 7.624 2.854 -15.272 1.00 51.11 C ATOM 0 H VAL A 105 9.918 2.172 -17.171 1.00 45.25 H new ATOM 0 HA VAL A 105 10.208 3.027 -14.383 1.00 3.15 H new ATOM 0 HB VAL A 105 8.427 0.923 -15.682 1.00 41.23 H new ATOM 0 HG11 VAL A 105 7.294 0.821 -13.502 1.00 21.23 H new ATOM 0 HG12 VAL A 105 8.996 0.316 -13.386 1.00 21.23 H new ATOM 0 HG13 VAL A 105 8.507 1.932 -12.823 1.00 21.23 H new ATOM 0 HG21 VAL A 105 6.599 2.495 -15.180 1.00 51.11 H new ATOM 0 HG22 VAL A 105 7.785 3.674 -14.572 1.00 51.11 H new ATOM 0 HG23 VAL A 105 7.796 3.206 -16.289 1.00 51.11 H new ATOM 724 N GLN A 106 11.488 1.064 -13.499 1.00 73.41 N ATOM 725 CA GLN A 106 12.397 0.020 -13.039 1.00 54.33 C ATOM 726 C GLN A 106 11.791 -0.754 -11.874 1.00 31.43 C ATOM 727 O GLN A 106 10.729 -0.398 -11.363 1.00 12.33 O ATOM 728 CB GLN A 106 13.736 0.629 -12.621 1.00 41.42 C ATOM 729 CG GLN A 106 14.300 1.612 -13.635 1.00 25.14 C ATOM 730 CD GLN A 106 15.549 2.313 -13.136 1.00 33.45 C ATOM 731 OE1 GLN A 106 16.017 2.055 -12.026 1.00 45.53 O ATOM 732 NE2 GLN A 106 16.095 3.204 -13.954 1.00 52.22 N ATOM 0 H GLN A 106 11.283 1.782 -12.804 1.00 73.41 H new ATOM 0 HA GLN A 106 12.563 -0.673 -13.864 1.00 54.33 H new ATOM 0 HB2 GLN A 106 13.612 1.137 -11.665 1.00 41.42 H new ATOM 0 HB3 GLN A 106 14.457 -0.173 -12.465 1.00 41.42 H new ATOM 0 HG2 GLN A 106 14.530 1.083 -14.560 1.00 25.14 H new ATOM 0 HG3 GLN A 106 13.541 2.357 -13.874 1.00 25.14 H new ATOM 0 HE21 GLN A 106 15.673 3.386 -14.865 1.00 52.22 H new ATOM 0 HE22 GLN A 106 16.936 3.707 -13.672 1.00 52.22 H new ATOM 741 N HIS A 107 12.473 -1.817 -11.458 1.00 12.14 N ATOM 742 CA HIS A 107 12.002 -2.643 -10.351 1.00 53.43 C ATOM 743 C HIS A 107 13.154 -3.017 -9.424 1.00 13.03 C ATOM 744 O HIS A 107 14.318 -2.757 -9.727 1.00 42.13 O ATOM 745 CB HIS A 107 11.328 -3.908 -10.883 1.00 15.14 C ATOM 746 CG HIS A 107 10.512 -3.679 -12.118 1.00 3.40 C ATOM 747 ND1 HIS A 107 10.780 -4.296 -13.322 1.00 11.04 N ATOM 748 CD2 HIS A 107 9.429 -2.895 -12.331 1.00 63.22 C ATOM 749 CE1 HIS A 107 9.898 -3.901 -14.222 1.00 51.12 C ATOM 750 NE2 HIS A 107 9.067 -3.051 -13.647 1.00 13.05 N ATOM 0 H HIS A 107 13.353 -2.127 -11.870 1.00 12.14 H new ATOM 0 HA HIS A 107 11.274 -2.065 -9.782 1.00 53.43 H new ATOM 0 HB2 HIS A 107 12.093 -4.655 -11.096 1.00 15.14 H new ATOM 0 HB3 HIS A 107 10.686 -4.322 -10.105 1.00 15.14 H new ATOM 0 HD2 HIS A 107 8.941 -2.265 -11.602 1.00 63.22 H new ATOM 0 HE1 HIS A 107 9.862 -4.219 -15.253 1.00 51.12 H new ATOM 0 HE2 HIS A 107 8.284 -2.586 -14.105 1.00 13.05 H new ATOM 758 N PHE A 108 12.821 -3.628 -8.292 1.00 32.14 N ATOM 759 CA PHE A 108 13.827 -4.037 -7.319 1.00 4.42 C ATOM 760 C PHE A 108 13.438 -5.353 -6.653 1.00 72.22 C ATOM 761 O PHE A 108 12.396 -5.450 -6.004 1.00 40.01 O ATOM 762 CB PHE A 108 14.012 -2.950 -6.257 1.00 74.21 C ATOM 763 CG PHE A 108 14.684 -1.712 -6.777 1.00 24.02 C ATOM 764 CD1 PHE A 108 13.955 -0.737 -7.437 1.00 41.52 C ATOM 765 CD2 PHE A 108 16.046 -1.524 -6.605 1.00 45.14 C ATOM 766 CE1 PHE A 108 14.571 0.404 -7.916 1.00 41.34 C ATOM 767 CE2 PHE A 108 16.668 -0.385 -7.082 1.00 33.10 C ATOM 768 CZ PHE A 108 15.929 0.580 -7.739 1.00 65.44 C ATOM 0 H PHE A 108 11.862 -3.851 -8.026 1.00 32.14 H new ATOM 0 HA PHE A 108 14.769 -4.183 -7.848 1.00 4.42 H new ATOM 0 HB2 PHE A 108 13.037 -2.681 -5.850 1.00 74.21 H new ATOM 0 HB3 PHE A 108 14.600 -3.354 -5.433 1.00 74.21 H new ATOM 0 HD1 PHE A 108 12.893 -0.870 -7.579 1.00 41.52 H new ATOM 0 HD2 PHE A 108 16.628 -2.276 -6.093 1.00 45.14 H new ATOM 0 HE1 PHE A 108 13.991 1.157 -8.428 1.00 41.34 H new ATOM 0 HE2 PHE A 108 17.730 -0.250 -6.941 1.00 33.10 H new ATOM 0 HZ PHE A 108 16.413 1.470 -8.113 1.00 65.44 H new ATOM 778 N LYS A 109 14.282 -6.366 -6.820 1.00 12.35 N ATOM 779 CA LYS A 109 14.028 -7.678 -6.236 1.00 5.55 C ATOM 780 C LYS A 109 14.187 -7.638 -4.719 1.00 13.41 C ATOM 781 O LYS A 109 15.281 -7.406 -4.205 1.00 11.33 O ATOM 782 CB LYS A 109 14.981 -8.716 -6.831 1.00 64.42 C ATOM 783 CG LYS A 109 14.327 -9.624 -7.858 1.00 34.21 C ATOM 784 CD LYS A 109 13.680 -10.833 -7.202 1.00 3.11 C ATOM 785 CE LYS A 109 14.723 -11.833 -6.726 1.00 51.03 C ATOM 786 NZ LYS A 109 14.596 -13.142 -7.426 1.00 11.44 N ATOM 0 H LYS A 109 15.148 -6.303 -7.355 1.00 12.35 H new ATOM 0 HA LYS A 109 13.001 -7.960 -6.469 1.00 5.55 H new ATOM 0 HB2 LYS A 109 15.821 -8.201 -7.297 1.00 64.42 H new ATOM 0 HB3 LYS A 109 15.388 -9.327 -6.025 1.00 64.42 H new ATOM 0 HG2 LYS A 109 13.575 -9.064 -8.413 1.00 34.21 H new ATOM 0 HG3 LYS A 109 15.074 -9.956 -8.579 1.00 34.21 H new ATOM 0 HD2 LYS A 109 13.073 -10.508 -6.357 1.00 3.11 H new ATOM 0 HD3 LYS A 109 13.007 -11.316 -7.911 1.00 3.11 H new ATOM 0 HE2 LYS A 109 15.720 -11.426 -6.895 1.00 51.03 H new ATOM 0 HE3 LYS A 109 14.618 -11.984 -5.652 1.00 51.03 H new ATOM 0 HZ1 LYS A 109 15.324 -13.796 -7.074 1.00 11.44 H new ATOM 0 HZ2 LYS A 109 13.654 -13.543 -7.244 1.00 11.44 H new ATOM 0 HZ3 LYS A 109 14.722 -13.002 -8.449 1.00 11.44 H new ATOM 800 N VAL A 110 13.087 -7.867 -4.008 1.00 4.35 N ATOM 801 CA VAL A 110 13.105 -7.860 -2.550 1.00 11.54 C ATOM 802 C VAL A 110 13.696 -9.153 -2.001 1.00 31.22 C ATOM 803 O VAL A 110 13.271 -10.249 -2.370 1.00 52.31 O ATOM 804 CB VAL A 110 11.690 -7.669 -1.972 1.00 53.02 C ATOM 805 CG1 VAL A 110 11.676 -7.969 -0.481 1.00 63.52 C ATOM 806 CG2 VAL A 110 11.189 -6.259 -2.245 1.00 0.42 C ATOM 0 H VAL A 110 12.173 -8.059 -4.418 1.00 4.35 H new ATOM 0 HA VAL A 110 13.730 -7.021 -2.246 1.00 11.54 H new ATOM 0 HB VAL A 110 11.018 -8.371 -2.465 1.00 53.02 H new ATOM 0 HG11 VAL A 110 10.668 -7.828 -0.091 1.00 63.52 H new ATOM 0 HG12 VAL A 110 11.989 -9.000 -0.314 1.00 63.52 H new ATOM 0 HG13 VAL A 110 12.361 -7.294 0.032 1.00 63.52 H new ATOM 0 HG21 VAL A 110 10.188 -6.142 -1.830 1.00 0.42 H new ATOM 0 HG22 VAL A 110 11.861 -5.538 -1.780 1.00 0.42 H new ATOM 0 HG23 VAL A 110 11.158 -6.086 -3.321 1.00 0.42 H new ATOM 816 N LEU A 111 14.678 -9.020 -1.117 1.00 3.25 N ATOM 817 CA LEU A 111 15.329 -10.179 -0.515 1.00 13.32 C ATOM 818 C LEU A 111 14.662 -10.553 0.805 1.00 5.44 C ATOM 819 O LEU A 111 14.335 -9.685 1.615 1.00 43.53 O ATOM 820 CB LEU A 111 16.814 -9.893 -0.287 1.00 21.32 C ATOM 821 CG LEU A 111 17.712 -9.983 -1.521 1.00 62.41 C ATOM 822 CD1 LEU A 111 17.532 -11.324 -2.216 1.00 34.22 C ATOM 823 CD2 LEU A 111 17.417 -8.840 -2.480 1.00 53.43 C ATOM 0 H LEU A 111 15.042 -8.121 -0.801 1.00 3.25 H new ATOM 0 HA LEU A 111 15.229 -11.019 -1.202 1.00 13.32 H new ATOM 0 HB2 LEU A 111 16.910 -8.893 0.135 1.00 21.32 H new ATOM 0 HB3 LEU A 111 17.187 -10.592 0.461 1.00 21.32 H new ATOM 0 HG LEU A 111 18.750 -9.901 -1.198 1.00 62.41 H new ATOM 0 HD11 LEU A 111 18.179 -11.370 -3.092 1.00 34.22 H new ATOM 0 HD12 LEU A 111 17.795 -12.128 -1.529 1.00 34.22 H new ATOM 0 HD13 LEU A 111 16.493 -11.437 -2.526 1.00 34.22 H new ATOM 0 HD21 LEU A 111 18.066 -8.920 -3.352 1.00 53.43 H new ATOM 0 HD22 LEU A 111 16.375 -8.890 -2.797 1.00 53.43 H new ATOM 0 HD23 LEU A 111 17.599 -7.889 -1.979 1.00 53.43 H new ATOM 835 N ARG A 112 14.467 -11.850 1.017 1.00 75.03 N ATOM 836 CA ARG A 112 13.840 -12.339 2.239 1.00 5.12 C ATOM 837 C ARG A 112 14.643 -13.491 2.838 1.00 54.33 C ATOM 838 O ARG A 112 15.035 -14.420 2.132 1.00 52.02 O ATOM 839 CB ARG A 112 12.407 -12.794 1.957 1.00 44.11 C ATOM 840 CG ARG A 112 11.529 -11.705 1.362 1.00 32.44 C ATOM 841 CD ARG A 112 10.482 -12.285 0.424 1.00 42.03 C ATOM 842 NE ARG A 112 9.209 -12.517 1.100 1.00 53.31 N ATOM 843 CZ ARG A 112 8.939 -13.610 1.804 1.00 31.04 C ATOM 844 NH1 ARG A 112 9.849 -14.567 1.925 1.00 42.53 N ATOM 845 NH2 ARG A 112 7.757 -13.748 2.391 1.00 54.02 N ATOM 0 H ARG A 112 14.734 -12.581 0.358 1.00 75.03 H new ATOM 0 HA ARG A 112 13.818 -11.521 2.959 1.00 5.12 H new ATOM 0 HB2 ARG A 112 12.432 -13.643 1.274 1.00 44.11 H new ATOM 0 HB3 ARG A 112 11.957 -13.145 2.885 1.00 44.11 H new ATOM 0 HG2 ARG A 112 11.036 -11.155 2.164 1.00 32.44 H new ATOM 0 HG3 ARG A 112 12.149 -10.991 0.820 1.00 32.44 H new ATOM 0 HD2 ARG A 112 10.329 -11.604 -0.413 1.00 42.03 H new ATOM 0 HD3 ARG A 112 10.848 -13.224 0.009 1.00 42.03 H new ATOM 0 HE ARG A 112 8.487 -11.800 1.028 1.00 53.31 H new ATOM 0 HH11 ARG A 112 10.759 -14.465 1.477 1.00 42.53 H new ATOM 0 HH12 ARG A 112 9.639 -15.405 2.466 1.00 42.53 H new ATOM 0 HH21 ARG A 112 7.054 -13.014 2.302 1.00 54.02 H new ATOM 0 HH22 ARG A 112 7.551 -14.588 2.931 1.00 54.02 H new ATOM 859 N ASP A 113 14.883 -13.422 4.142 1.00 31.24 N ATOM 860 CA ASP A 113 15.638 -14.459 4.836 1.00 32.14 C ATOM 861 C ASP A 113 15.267 -14.503 6.315 1.00 20.45 C ATOM 862 O ASP A 113 14.549 -13.637 6.812 1.00 12.30 O ATOM 863 CB ASP A 113 17.140 -14.216 4.681 1.00 31.54 C ATOM 864 CG ASP A 113 17.871 -15.434 4.151 1.00 43.34 C ATOM 865 OD1 ASP A 113 17.215 -16.298 3.532 1.00 12.21 O ATOM 866 OD2 ASP A 113 19.100 -15.522 4.353 1.00 42.12 O ATOM 0 H ASP A 113 14.566 -12.659 4.740 1.00 31.24 H new ATOM 0 HA ASP A 113 15.385 -15.420 4.388 1.00 32.14 H new ATOM 0 HB2 ASP A 113 17.302 -13.376 4.005 1.00 31.54 H new ATOM 0 HB3 ASP A 113 17.561 -13.934 5.646 1.00 31.54 H new ATOM 871 N GLY A 114 15.762 -15.521 7.014 1.00 14.34 N ATOM 872 CA GLY A 114 15.470 -15.660 8.429 1.00 4.23 C ATOM 873 C GLY A 114 14.111 -16.281 8.683 1.00 0.41 C ATOM 874 O GLY A 114 13.978 -17.182 9.510 1.00 73.53 O ATOM 0 H GLY A 114 16.359 -16.251 6.626 1.00 14.34 H new ATOM 0 HA2 GLY A 114 16.240 -16.274 8.897 1.00 4.23 H new ATOM 0 HA3 GLY A 114 15.512 -14.680 8.903 1.00 4.23 H new ATOM 878 N ALA A 115 13.099 -15.796 7.972 1.00 53.34 N ATOM 879 CA ALA A 115 11.743 -16.309 8.124 1.00 70.12 C ATOM 880 C ALA A 115 10.731 -15.400 7.434 1.00 62.50 C ATOM 881 O ALA A 115 9.853 -15.869 6.711 1.00 31.21 O ATOM 882 CB ALA A 115 11.399 -16.462 9.598 1.00 11.00 C ATOM 0 H ALA A 115 13.192 -15.048 7.285 1.00 53.34 H new ATOM 0 HA ALA A 115 11.696 -17.288 7.648 1.00 70.12 H new ATOM 0 HB1 ALA A 115 10.384 -16.846 9.697 1.00 11.00 H new ATOM 0 HB2 ALA A 115 12.097 -17.158 10.064 1.00 11.00 H new ATOM 0 HB3 ALA A 115 11.470 -15.492 10.091 1.00 11.00 H new ATOM 888 N GLY A 116 10.860 -14.097 7.663 1.00 22.00 N ATOM 889 CA GLY A 116 9.950 -13.144 7.057 1.00 55.42 C ATOM 890 C GLY A 116 10.513 -11.736 7.036 1.00 72.53 C ATOM 891 O GLY A 116 9.770 -10.764 6.905 1.00 14.41 O ATOM 0 H GLY A 116 11.579 -13.685 8.258 1.00 22.00 H new ATOM 0 HA2 GLY A 116 9.727 -13.458 6.037 1.00 55.42 H new ATOM 0 HA3 GLY A 116 9.008 -13.147 7.605 1.00 55.42 H new ATOM 895 N LYS A 117 11.830 -11.626 7.166 1.00 25.43 N ATOM 896 CA LYS A 117 12.494 -10.328 7.162 1.00 25.33 C ATOM 897 C LYS A 117 12.934 -9.946 5.753 1.00 64.54 C ATOM 898 O LYS A 117 13.519 -10.757 5.034 1.00 44.04 O ATOM 899 CB LYS A 117 13.705 -10.349 8.098 1.00 43.11 C ATOM 900 CG LYS A 117 13.419 -10.979 9.450 1.00 53.11 C ATOM 901 CD LYS A 117 13.054 -9.931 10.488 1.00 40.44 C ATOM 902 CE LYS A 117 14.131 -9.805 11.555 1.00 55.53 C ATOM 903 NZ LYS A 117 15.326 -9.072 11.053 1.00 70.02 N ATOM 0 H LYS A 117 12.460 -12.421 7.276 1.00 25.43 H new ATOM 0 HA LYS A 117 11.782 -9.582 7.516 1.00 25.33 H new ATOM 0 HB2 LYS A 117 14.516 -10.895 7.617 1.00 43.11 H new ATOM 0 HB3 LYS A 117 14.054 -9.328 8.249 1.00 43.11 H new ATOM 0 HG2 LYS A 117 12.604 -11.696 9.353 1.00 53.11 H new ATOM 0 HG3 LYS A 117 14.294 -11.535 9.786 1.00 53.11 H new ATOM 0 HD2 LYS A 117 12.910 -8.968 9.999 1.00 40.44 H new ATOM 0 HD3 LYS A 117 12.106 -10.196 10.956 1.00 40.44 H new ATOM 0 HE2 LYS A 117 13.724 -9.285 12.422 1.00 55.53 H new ATOM 0 HE3 LYS A 117 14.429 -10.799 11.890 1.00 55.53 H new ATOM 0 HZ1 LYS A 117 16.037 -9.007 11.810 1.00 70.02 H new ATOM 0 HZ2 LYS A 117 15.730 -9.581 10.241 1.00 70.02 H new ATOM 0 HZ3 LYS A 117 15.047 -8.115 10.757 1.00 70.02 H new ATOM 917 N TYR A 118 12.651 -8.708 5.364 1.00 33.33 N ATOM 918 CA TYR A 118 13.017 -8.220 4.040 1.00 15.21 C ATOM 919 C TYR A 118 14.267 -7.349 4.107 1.00 1.51 C ATOM 920 O TYR A 118 14.637 -6.853 5.172 1.00 32.40 O ATOM 921 CB TYR A 118 11.861 -7.426 3.429 1.00 35.01 C ATOM 922 CG TYR A 118 10.509 -8.072 3.632 1.00 15.43 C ATOM 923 CD1 TYR A 118 10.012 -8.992 2.717 1.00 30.25 C ATOM 924 CD2 TYR A 118 9.727 -7.761 4.738 1.00 2.33 C ATOM 925 CE1 TYR A 118 8.777 -9.584 2.899 1.00 71.24 C ATOM 926 CE2 TYR A 118 8.492 -8.349 4.928 1.00 12.22 C ATOM 927 CZ TYR A 118 8.021 -9.260 4.006 1.00 51.44 C ATOM 928 OH TYR A 118 6.790 -9.847 4.190 1.00 1.45 O ATOM 0 H TYR A 118 12.169 -8.024 5.947 1.00 33.33 H new ATOM 0 HA TYR A 118 13.231 -9.083 3.409 1.00 15.21 H new ATOM 0 HB2 TYR A 118 11.846 -6.427 3.866 1.00 35.01 H new ATOM 0 HB3 TYR A 118 12.039 -7.304 2.361 1.00 35.01 H new ATOM 0 HD1 TYR A 118 10.601 -9.249 1.849 1.00 30.25 H new ATOM 0 HD2 TYR A 118 10.092 -7.047 5.462 1.00 2.33 H new ATOM 0 HE1 TYR A 118 8.405 -10.297 2.178 1.00 71.24 H new ATOM 0 HE2 TYR A 118 7.898 -8.097 5.794 1.00 12.22 H new ATOM 0 HH TYR A 118 6.372 -10.011 3.319 1.00 1.45 H new ATOM 938 N PHE A 119 14.914 -7.165 2.961 1.00 25.12 N ATOM 939 CA PHE A 119 16.124 -6.354 2.888 1.00 62.12 C ATOM 940 C PHE A 119 16.543 -6.132 1.437 1.00 12.24 C ATOM 941 O PHE A 119 16.142 -6.877 0.542 1.00 24.33 O ATOM 942 CB PHE A 119 17.261 -7.025 3.661 1.00 1.15 C ATOM 943 CG PHE A 119 17.461 -8.469 3.301 1.00 34.45 C ATOM 944 CD1 PHE A 119 16.585 -9.439 3.762 1.00 31.22 C ATOM 945 CD2 PHE A 119 18.524 -8.857 2.503 1.00 62.43 C ATOM 946 CE1 PHE A 119 16.765 -10.769 3.432 1.00 23.45 C ATOM 947 CE2 PHE A 119 18.709 -10.186 2.169 1.00 4.24 C ATOM 948 CZ PHE A 119 17.830 -11.143 2.636 1.00 73.12 C ATOM 0 H PHE A 119 14.621 -7.566 2.070 1.00 25.12 H new ATOM 0 HA PHE A 119 15.909 -5.385 3.339 1.00 62.12 H new ATOM 0 HB2 PHE A 119 18.187 -6.481 3.474 1.00 1.15 H new ATOM 0 HB3 PHE A 119 17.057 -6.950 4.729 1.00 1.15 H new ATOM 0 HD1 PHE A 119 15.752 -9.152 4.387 1.00 31.22 H new ATOM 0 HD2 PHE A 119 19.216 -8.113 2.137 1.00 62.43 H new ATOM 0 HE1 PHE A 119 16.074 -11.515 3.796 1.00 23.45 H new ATOM 0 HE2 PHE A 119 19.540 -10.475 1.543 1.00 4.24 H new ATOM 0 HZ PHE A 119 17.975 -12.182 2.379 1.00 73.12 H new ATOM 958 N LEU A 120 17.350 -5.101 1.212 1.00 22.25 N ATOM 959 CA LEU A 120 17.824 -4.779 -0.129 1.00 52.22 C ATOM 960 C LEU A 120 19.075 -3.909 -0.070 1.00 43.35 C ATOM 961 O LEU A 120 19.360 -3.282 0.950 1.00 12.10 O ATOM 962 CB LEU A 120 16.728 -4.063 -0.920 1.00 15.41 C ATOM 963 CG LEU A 120 16.101 -2.843 -0.244 1.00 53.53 C ATOM 964 CD1 LEU A 120 15.431 -3.241 1.062 1.00 52.24 C ATOM 965 CD2 LEU A 120 17.151 -1.769 -0.001 1.00 65.01 C ATOM 0 H LEU A 120 17.690 -4.474 1.941 1.00 22.25 H new ATOM 0 HA LEU A 120 18.076 -5.712 -0.632 1.00 52.22 H new ATOM 0 HB2 LEU A 120 17.144 -3.749 -1.877 1.00 15.41 H new ATOM 0 HB3 LEU A 120 15.936 -4.780 -1.137 1.00 15.41 H new ATOM 0 HG LEU A 120 15.340 -2.435 -0.909 1.00 53.53 H new ATOM 0 HD11 LEU A 120 14.991 -2.360 1.528 1.00 52.24 H new ATOM 0 HD12 LEU A 120 14.650 -3.974 0.861 1.00 52.24 H new ATOM 0 HD13 LEU A 120 16.172 -3.675 1.734 1.00 52.24 H new ATOM 0 HD21 LEU A 120 16.687 -0.909 0.481 1.00 65.01 H new ATOM 0 HD22 LEU A 120 17.935 -2.166 0.643 1.00 65.01 H new ATOM 0 HD23 LEU A 120 17.584 -1.462 -0.953 1.00 65.01 H new ATOM 977 N TRP A 121 19.817 -3.874 -1.171 1.00 62.03 N ATOM 978 CA TRP A 121 21.037 -3.079 -1.246 1.00 4.54 C ATOM 979 C TRP A 121 21.827 -3.170 0.055 1.00 21.24 C ATOM 980 O TRP A 121 22.648 -4.070 0.232 1.00 23.14 O ATOM 981 CB TRP A 121 20.701 -1.618 -1.550 1.00 52.05 C ATOM 982 CG TRP A 121 20.152 -1.410 -2.930 1.00 23.23 C ATOM 983 CD1 TRP A 121 18.858 -1.128 -3.263 1.00 63.43 C ATOM 984 CD2 TRP A 121 20.882 -1.470 -4.160 1.00 50.11 C ATOM 985 NE1 TRP A 121 18.740 -1.009 -4.627 1.00 74.41 N ATOM 986 CE2 TRP A 121 19.967 -1.214 -5.200 1.00 10.40 C ATOM 987 CE3 TRP A 121 22.219 -1.713 -4.485 1.00 3.15 C ATOM 988 CZ2 TRP A 121 20.348 -1.195 -6.539 1.00 23.21 C ATOM 989 CZ3 TRP A 121 22.596 -1.695 -5.814 1.00 1.41 C ATOM 990 CH2 TRP A 121 21.664 -1.436 -6.828 1.00 30.52 C ATOM 0 H TRP A 121 19.595 -4.387 -2.024 1.00 62.03 H new ATOM 0 HA TRP A 121 21.652 -3.479 -2.052 1.00 4.54 H new ATOM 0 HB2 TRP A 121 19.975 -1.260 -0.820 1.00 52.05 H new ATOM 0 HB3 TRP A 121 21.600 -1.013 -1.429 1.00 52.05 H new ATOM 0 HD1 TRP A 121 18.047 -1.015 -2.559 1.00 63.43 H new ATOM 0 HE1 TRP A 121 17.878 -0.802 -5.131 1.00 74.41 H new ATOM 0 HE3 TRP A 121 22.945 -1.911 -3.711 1.00 3.15 H new ATOM 0 HZ2 TRP A 121 19.631 -0.997 -7.322 1.00 23.21 H new ATOM 0 HZ3 TRP A 121 23.627 -1.884 -6.076 1.00 1.41 H new ATOM 0 HH2 TRP A 121 21.990 -1.426 -7.857 1.00 30.52 H new ATOM 1001 N VAL A 122 21.573 -2.234 0.964 1.00 4.30 N ATOM 1002 CA VAL A 122 22.260 -2.210 2.250 1.00 62.20 C ATOM 1003 C VAL A 122 21.310 -1.810 3.373 1.00 30.41 C ATOM 1004 O VAL A 122 21.424 -0.723 3.940 1.00 73.33 O ATOM 1005 CB VAL A 122 23.454 -1.237 2.231 1.00 13.12 C ATOM 1006 CG1 VAL A 122 24.313 -1.422 3.473 1.00 41.55 C ATOM 1007 CG2 VAL A 122 24.279 -1.430 0.968 1.00 73.52 C ATOM 0 H VAL A 122 20.896 -1.482 0.834 1.00 4.30 H new ATOM 0 HA VAL A 122 22.627 -3.220 2.431 1.00 62.20 H new ATOM 0 HB VAL A 122 23.069 -0.217 2.233 1.00 13.12 H new ATOM 0 HG11 VAL A 122 25.152 -0.726 3.442 1.00 41.55 H new ATOM 0 HG12 VAL A 122 23.713 -1.228 4.362 1.00 41.55 H new ATOM 0 HG13 VAL A 122 24.690 -2.444 3.505 1.00 41.55 H new ATOM 0 HG21 VAL A 122 25.118 -0.734 0.972 1.00 73.52 H new ATOM 0 HG22 VAL A 122 24.655 -2.452 0.932 1.00 73.52 H new ATOM 0 HG23 VAL A 122 23.656 -1.242 0.094 1.00 73.52 H new ATOM 1017 N VAL A 123 20.372 -2.697 3.691 1.00 20.02 N ATOM 1018 CA VAL A 123 19.402 -2.438 4.748 1.00 0.24 C ATOM 1019 C VAL A 123 18.443 -3.612 4.915 1.00 45.45 C ATOM 1020 O VAL A 123 18.183 -4.354 3.968 1.00 64.43 O ATOM 1021 CB VAL A 123 18.589 -1.161 4.463 1.00 34.32 C ATOM 1022 CG1 VAL A 123 17.437 -1.462 3.517 1.00 73.45 C ATOM 1023 CG2 VAL A 123 18.078 -0.554 5.761 1.00 21.32 C ATOM 0 H VAL A 123 20.264 -3.601 3.231 1.00 20.02 H new ATOM 0 HA VAL A 123 19.968 -2.302 5.670 1.00 0.24 H new ATOM 0 HB VAL A 123 19.243 -0.434 3.981 1.00 34.32 H new ATOM 0 HG11 VAL A 123 16.874 -0.548 3.327 1.00 73.45 H new ATOM 0 HG12 VAL A 123 17.830 -1.848 2.576 1.00 73.45 H new ATOM 0 HG13 VAL A 123 16.780 -2.206 3.968 1.00 73.45 H new ATOM 0 HG21 VAL A 123 17.506 0.347 5.541 1.00 21.32 H new ATOM 0 HG22 VAL A 123 17.439 -1.274 6.272 1.00 21.32 H new ATOM 0 HG23 VAL A 123 18.923 -0.300 6.401 1.00 21.32 H new ATOM 1033 N LYS A 124 17.919 -3.774 6.125 1.00 44.53 N ATOM 1034 CA LYS A 124 16.987 -4.856 6.417 1.00 42.12 C ATOM 1035 C LYS A 124 15.879 -4.382 7.352 1.00 24.43 C ATOM 1036 O LYS A 124 16.051 -3.415 8.094 1.00 52.53 O ATOM 1037 CB LYS A 124 17.728 -6.039 7.044 1.00 72.20 C ATOM 1038 CG LYS A 124 18.522 -5.671 8.285 1.00 1.21 C ATOM 1039 CD LYS A 124 17.983 -6.372 9.521 1.00 60.13 C ATOM 1040 CE LYS A 124 19.033 -7.273 10.153 1.00 72.13 C ATOM 1041 NZ LYS A 124 19.659 -6.642 11.347 1.00 44.40 N ATOM 0 H LYS A 124 18.124 -3.169 6.920 1.00 44.53 H new ATOM 0 HA LYS A 124 16.534 -5.175 5.479 1.00 42.12 H new ATOM 0 HB2 LYS A 124 17.006 -6.814 7.302 1.00 72.20 H new ATOM 0 HB3 LYS A 124 18.404 -6.467 6.304 1.00 72.20 H new ATOM 0 HG2 LYS A 124 19.569 -5.939 8.141 1.00 1.21 H new ATOM 0 HG3 LYS A 124 18.487 -4.592 8.434 1.00 1.21 H new ATOM 0 HD2 LYS A 124 17.654 -5.629 10.248 1.00 60.13 H new ATOM 0 HD3 LYS A 124 17.108 -6.964 9.252 1.00 60.13 H new ATOM 0 HE2 LYS A 124 18.574 -8.219 10.441 1.00 72.13 H new ATOM 0 HE3 LYS A 124 19.804 -7.503 9.418 1.00 72.13 H new ATOM 0 HZ1 LYS A 124 20.369 -7.287 11.749 1.00 44.40 H new ATOM 0 HZ2 LYS A 124 20.119 -5.752 11.068 1.00 44.40 H new ATOM 0 HZ3 LYS A 124 18.927 -6.445 12.059 1.00 44.40 H new ATOM 1055 N PHE A 125 14.744 -5.071 7.314 1.00 73.34 N ATOM 1056 CA PHE A 125 13.608 -4.721 8.159 1.00 71.25 C ATOM 1057 C PHE A 125 12.697 -5.926 8.372 1.00 73.42 C ATOM 1058 O PHE A 125 12.953 -7.011 7.852 1.00 70.34 O ATOM 1059 CB PHE A 125 12.815 -3.572 7.533 1.00 74.24 C ATOM 1060 CG PHE A 125 13.527 -2.251 7.590 1.00 73.01 C ATOM 1061 CD1 PHE A 125 13.721 -1.605 8.800 1.00 34.55 C ATOM 1062 CD2 PHE A 125 14.003 -1.655 6.433 1.00 12.13 C ATOM 1063 CE1 PHE A 125 14.375 -0.389 8.856 1.00 72.33 C ATOM 1064 CE2 PHE A 125 14.658 -0.439 6.482 1.00 2.03 C ATOM 1065 CZ PHE A 125 14.845 0.194 7.695 1.00 3.14 C ATOM 0 H PHE A 125 14.586 -5.875 6.707 1.00 73.34 H new ATOM 0 HA PHE A 125 13.992 -4.403 9.128 1.00 71.25 H new ATOM 0 HB2 PHE A 125 12.599 -3.815 6.493 1.00 74.24 H new ATOM 0 HB3 PHE A 125 11.857 -3.482 8.045 1.00 74.24 H new ATOM 0 HD1 PHE A 125 13.357 -2.057 9.711 1.00 34.55 H new ATOM 0 HD2 PHE A 125 13.860 -2.146 5.482 1.00 12.13 H new ATOM 0 HE1 PHE A 125 14.518 0.105 9.806 1.00 72.33 H new ATOM 0 HE2 PHE A 125 15.023 0.016 5.573 1.00 2.03 H new ATOM 0 HZ PHE A 125 15.358 1.144 7.736 1.00 3.14 H new ATOM 1075 N ASN A 126 11.632 -5.727 9.142 1.00 52.34 N ATOM 1076 CA ASN A 126 10.682 -6.797 9.426 1.00 44.35 C ATOM 1077 C ASN A 126 9.471 -6.708 8.503 1.00 52.14 C ATOM 1078 O ASN A 126 9.005 -7.717 7.974 1.00 33.22 O ATOM 1079 CB ASN A 126 10.231 -6.732 10.886 1.00 71.00 C ATOM 1080 CG ASN A 126 11.357 -7.041 11.853 1.00 20.35 C ATOM 1081 OD1 ASN A 126 12.433 -6.268 11.775 1.00 52.13 O flip ATOM 1082 ND2 ASN A 126 11.260 -7.965 12.662 1.00 4.41 N flip ATOM 0 H ASN A 126 11.405 -4.835 9.581 1.00 52.34 H new ATOM 0 HA ASN A 126 11.182 -7.750 9.249 1.00 44.35 H new ATOM 0 HB2 ASN A 126 9.836 -5.738 11.098 1.00 71.00 H new ATOM 0 HB3 ASN A 126 9.416 -7.439 11.044 1.00 71.00 H new ATOM 0 HD21 ASN A 126 10.414 -8.534 12.687 1.00 4.41 H new ATOM 0 HD22 ASN A 126 12.026 -8.161 13.307 1.00 4.41 H new ATOM 1089 N SER A 127 8.966 -5.493 8.313 1.00 11.01 N ATOM 1090 CA SER A 127 7.807 -5.272 7.457 1.00 75.13 C ATOM 1091 C SER A 127 8.208 -4.548 6.175 1.00 31.01 C ATOM 1092 O SER A 127 9.229 -3.861 6.130 1.00 1.42 O ATOM 1093 CB SER A 127 6.743 -4.463 8.201 1.00 13.02 C ATOM 1094 OG SER A 127 5.466 -5.067 8.081 1.00 3.33 O ATOM 0 H SER A 127 9.342 -4.647 8.741 1.00 11.01 H new ATOM 0 HA SER A 127 7.393 -6.245 7.190 1.00 75.13 H new ATOM 0 HB2 SER A 127 7.013 -4.383 9.254 1.00 13.02 H new ATOM 0 HB3 SER A 127 6.708 -3.449 7.803 1.00 13.02 H new ATOM 0 HG SER A 127 4.804 -4.532 8.567 1.00 3.33 H new ATOM 1100 N LEU A 128 7.398 -4.707 5.135 1.00 75.33 N ATOM 1101 CA LEU A 128 7.667 -4.069 3.851 1.00 75.34 C ATOM 1102 C LEU A 128 7.518 -2.555 3.953 1.00 1.34 C ATOM 1103 O LEU A 128 8.244 -1.805 3.303 1.00 42.42 O ATOM 1104 CB LEU A 128 6.720 -4.615 2.780 1.00 40.52 C ATOM 1105 CG LEU A 128 7.169 -5.896 2.077 1.00 34.41 C ATOM 1106 CD1 LEU A 128 6.111 -6.361 1.088 1.00 32.44 C ATOM 1107 CD2 LEU A 128 8.501 -5.681 1.374 1.00 53.34 C ATOM 0 H LEU A 128 6.549 -5.272 5.155 1.00 75.33 H new ATOM 0 HA LEU A 128 8.695 -4.296 3.569 1.00 75.34 H new ATOM 0 HB2 LEU A 128 5.750 -4.798 3.241 1.00 40.52 H new ATOM 0 HB3 LEU A 128 6.573 -3.842 2.025 1.00 40.52 H new ATOM 0 HG LEU A 128 7.300 -6.673 2.830 1.00 34.41 H new ATOM 0 HD11 LEU A 128 6.448 -7.274 0.597 1.00 32.44 H new ATOM 0 HD12 LEU A 128 5.179 -6.557 1.618 1.00 32.44 H new ATOM 0 HD13 LEU A 128 5.947 -5.586 0.339 1.00 32.44 H new ATOM 0 HD21 LEU A 128 8.804 -6.604 0.879 1.00 53.34 H new ATOM 0 HD22 LEU A 128 8.397 -4.889 0.632 1.00 53.34 H new ATOM 0 HD23 LEU A 128 9.257 -5.396 2.106 1.00 53.34 H new ATOM 1119 N ASN A 129 6.573 -2.112 4.777 1.00 62.51 N ATOM 1120 CA ASN A 129 6.331 -0.687 4.966 1.00 14.14 C ATOM 1121 C ASN A 129 7.623 0.043 5.318 1.00 64.10 C ATOM 1122 O ASN A 129 7.867 1.154 4.849 1.00 13.45 O ATOM 1123 CB ASN A 129 5.292 -0.467 6.068 1.00 31.22 C ATOM 1124 CG ASN A 129 4.990 1.002 6.294 1.00 64.21 C ATOM 1125 OD1 ASN A 129 4.113 1.573 5.647 1.00 52.32 O ATOM 1126 ND2 ASN A 129 5.719 1.620 7.216 1.00 41.32 N ATOM 0 H ASN A 129 5.963 -2.720 5.324 1.00 62.51 H new ATOM 0 HA ASN A 129 5.950 -0.282 4.029 1.00 14.14 H new ATOM 0 HB2 ASN A 129 4.371 -0.988 5.805 1.00 31.22 H new ATOM 0 HB3 ASN A 129 5.653 -0.908 6.997 1.00 31.22 H new ATOM 0 HD21 ASN A 129 5.562 2.609 7.412 1.00 41.32 H new ATOM 0 HD22 ASN A 129 6.436 1.106 7.728 1.00 41.32 H new ATOM 1133 N GLU A 130 8.448 -0.591 6.145 1.00 25.22 N ATOM 1134 CA GLU A 130 9.716 -0.002 6.559 1.00 2.43 C ATOM 1135 C GLU A 130 10.593 0.309 5.349 1.00 13.14 C ATOM 1136 O GLU A 130 11.427 1.214 5.389 1.00 43.21 O ATOM 1137 CB GLU A 130 10.456 -0.945 7.510 1.00 3.53 C ATOM 1138 CG GLU A 130 10.162 -0.683 8.978 1.00 70.11 C ATOM 1139 CD GLU A 130 9.167 -1.669 9.558 1.00 55.01 C ATOM 1140 OE1 GLU A 130 7.961 -1.543 9.257 1.00 44.14 O ATOM 1141 OE2 GLU A 130 9.594 -2.567 10.313 1.00 34.15 O ATOM 0 H GLU A 130 8.261 -1.512 6.541 1.00 25.22 H new ATOM 0 HA GLU A 130 9.500 0.931 7.079 1.00 2.43 H new ATOM 0 HB2 GLU A 130 10.185 -1.974 7.272 1.00 3.53 H new ATOM 0 HB3 GLU A 130 11.529 -0.850 7.340 1.00 3.53 H new ATOM 0 HG2 GLU A 130 11.091 -0.734 9.546 1.00 70.11 H new ATOM 0 HG3 GLU A 130 9.774 0.329 9.092 1.00 70.11 H new ATOM 1148 N LEU A 131 10.398 -0.448 4.275 1.00 13.23 N ATOM 1149 CA LEU A 131 11.170 -0.255 3.053 1.00 40.22 C ATOM 1150 C LEU A 131 10.612 0.904 2.233 1.00 0.44 C ATOM 1151 O LEU A 131 11.362 1.741 1.731 1.00 43.20 O ATOM 1152 CB LEU A 131 11.165 -1.535 2.216 1.00 61.04 C ATOM 1153 CG LEU A 131 12.266 -2.548 2.531 1.00 3.24 C ATOM 1154 CD1 LEU A 131 11.961 -3.282 3.828 1.00 53.32 C ATOM 1155 CD2 LEU A 131 12.429 -3.534 1.384 1.00 42.22 C ATOM 0 H LEU A 131 9.712 -1.201 4.226 1.00 13.23 H new ATOM 0 HA LEU A 131 12.195 -0.016 3.335 1.00 40.22 H new ATOM 0 HB2 LEU A 131 10.200 -2.026 2.345 1.00 61.04 H new ATOM 0 HB3 LEU A 131 11.244 -1.258 1.165 1.00 61.04 H new ATOM 0 HG LEU A 131 13.205 -2.008 2.655 1.00 3.24 H new ATOM 0 HD11 LEU A 131 12.755 -3.999 4.036 1.00 53.32 H new ATOM 0 HD12 LEU A 131 11.897 -2.564 4.646 1.00 53.32 H new ATOM 0 HD13 LEU A 131 11.012 -3.810 3.733 1.00 53.32 H new ATOM 0 HD21 LEU A 131 13.217 -4.247 1.626 1.00 42.22 H new ATOM 0 HD22 LEU A 131 11.492 -4.068 1.227 1.00 42.22 H new ATOM 0 HD23 LEU A 131 12.695 -2.994 0.475 1.00 42.22 H new ATOM 1167 N VAL A 132 9.290 0.949 2.104 1.00 33.42 N ATOM 1168 CA VAL A 132 8.630 2.007 1.349 1.00 43.12 C ATOM 1169 C VAL A 132 8.987 3.382 1.903 1.00 30.21 C ATOM 1170 O VAL A 132 9.370 4.283 1.157 1.00 55.21 O ATOM 1171 CB VAL A 132 7.099 1.840 1.367 1.00 23.43 C ATOM 1172 CG1 VAL A 132 6.415 3.138 0.967 1.00 21.13 C ATOM 1173 CG2 VAL A 132 6.677 0.701 0.451 1.00 23.34 C ATOM 0 H VAL A 132 8.654 0.264 2.513 1.00 33.42 H new ATOM 0 HA VAL A 132 8.984 1.929 0.321 1.00 43.12 H new ATOM 0 HB VAL A 132 6.790 1.593 2.383 1.00 23.43 H new ATOM 0 HG11 VAL A 132 5.334 3.000 0.986 1.00 21.13 H new ATOM 0 HG12 VAL A 132 6.692 3.926 1.667 1.00 21.13 H new ATOM 0 HG13 VAL A 132 6.728 3.419 -0.039 1.00 21.13 H new ATOM 0 HG21 VAL A 132 5.592 0.597 0.476 1.00 23.34 H new ATOM 0 HG22 VAL A 132 6.998 0.916 -0.568 1.00 23.34 H new ATOM 0 HG23 VAL A 132 7.138 -0.227 0.788 1.00 23.34 H new ATOM 1183 N ASP A 133 8.860 3.535 3.216 1.00 15.15 N ATOM 1184 CA ASP A 133 9.170 4.800 3.872 1.00 10.12 C ATOM 1185 C ASP A 133 10.658 5.117 3.765 1.00 43.14 C ATOM 1186 O ASP A 133 11.043 6.190 3.299 1.00 13.35 O ATOM 1187 CB ASP A 133 8.751 4.753 5.342 1.00 11.34 C ATOM 1188 CG ASP A 133 8.242 6.091 5.842 1.00 11.02 C ATOM 1189 OD1 ASP A 133 8.880 7.120 5.537 1.00 25.33 O ATOM 1190 OD2 ASP A 133 7.206 6.109 6.539 1.00 14.22 O ATOM 0 H ASP A 133 8.544 2.799 3.847 1.00 15.15 H new ATOM 0 HA ASP A 133 8.611 5.589 3.368 1.00 10.12 H new ATOM 0 HB2 ASP A 133 7.973 4.000 5.471 1.00 11.34 H new ATOM 0 HB3 ASP A 133 9.601 4.441 5.949 1.00 11.34 H new ATOM 1195 N TYR A 134 11.491 4.177 4.198 1.00 12.34 N ATOM 1196 CA TYR A 134 12.937 4.358 4.154 1.00 20.32 C ATOM 1197 C TYR A 134 13.375 4.918 2.804 1.00 1.15 C ATOM 1198 O TYR A 134 14.070 5.933 2.736 1.00 32.40 O ATOM 1199 CB TYR A 134 13.646 3.029 4.422 1.00 42.21 C ATOM 1200 CG TYR A 134 15.153 3.144 4.456 1.00 25.54 C ATOM 1201 CD1 TYR A 134 15.875 3.428 3.303 1.00 34.21 C ATOM 1202 CD2 TYR A 134 15.857 2.967 5.641 1.00 34.55 C ATOM 1203 CE1 TYR A 134 17.252 3.533 3.330 1.00 71.45 C ATOM 1204 CE2 TYR A 134 17.234 3.071 5.678 1.00 75.14 C ATOM 1205 CZ TYR A 134 17.927 3.354 4.519 1.00 33.11 C ATOM 1206 OH TYR A 134 19.298 3.457 4.551 1.00 45.34 O ATOM 0 H TYR A 134 11.190 3.282 4.583 1.00 12.34 H new ATOM 0 HA TYR A 134 13.213 5.072 4.930 1.00 20.32 H new ATOM 0 HB2 TYR A 134 13.299 2.627 5.374 1.00 42.21 H new ATOM 0 HB3 TYR A 134 13.362 2.313 3.651 1.00 42.21 H new ATOM 0 HD1 TYR A 134 15.350 3.569 2.370 1.00 34.21 H new ATOM 0 HD2 TYR A 134 15.318 2.744 6.550 1.00 34.55 H new ATOM 0 HE1 TYR A 134 17.797 3.754 2.424 1.00 71.45 H new ATOM 0 HE2 TYR A 134 17.765 2.932 6.608 1.00 75.14 H new ATOM 0 HH TYR A 134 19.616 3.304 5.465 1.00 45.34 H new ATOM 1216 N HIS A 135 12.963 4.250 1.732 1.00 61.22 N ATOM 1217 CA HIS A 135 13.311 4.680 0.382 1.00 2.54 C ATOM 1218 C HIS A 135 12.650 6.015 0.051 1.00 42.03 C ATOM 1219 O HIS A 135 13.133 6.764 -0.799 1.00 62.51 O ATOM 1220 CB HIS A 135 12.891 3.622 -0.638 1.00 14.31 C ATOM 1221 CG HIS A 135 13.815 2.445 -0.696 1.00 43.50 C ATOM 1222 ND1 HIS A 135 13.546 1.245 -0.072 1.00 43.43 N ATOM 1223 CD2 HIS A 135 15.011 2.289 -1.310 1.00 61.34 C ATOM 1224 CE1 HIS A 135 14.537 0.402 -0.299 1.00 44.01 C ATOM 1225 NE2 HIS A 135 15.439 1.010 -1.048 1.00 41.44 N ATOM 0 H HIS A 135 12.388 3.409 1.771 1.00 61.22 H new ATOM 0 HA HIS A 135 14.392 4.808 0.335 1.00 2.54 H new ATOM 0 HB2 HIS A 135 11.887 3.274 -0.395 1.00 14.31 H new ATOM 0 HB3 HIS A 135 12.839 4.081 -1.625 1.00 14.31 H new ATOM 0 HD1 HIS A 135 12.712 1.040 0.479 1.00 43.43 H new ATOM 0 HD2 HIS A 135 15.532 3.031 -1.897 1.00 61.34 H new ATOM 0 HE1 HIS A 135 14.599 -0.613 0.066 1.00 44.01 H new ATOM 1233 N ARG A 136 11.543 6.306 0.726 1.00 22.41 N ATOM 1234 CA ARG A 136 10.815 7.549 0.501 1.00 22.44 C ATOM 1235 C ARG A 136 11.597 8.742 1.042 1.00 3.11 C ATOM 1236 O ARG A 136 11.392 9.877 0.613 1.00 11.41 O ATOM 1237 CB ARG A 136 9.438 7.485 1.164 1.00 1.15 C ATOM 1238 CG ARG A 136 8.309 7.973 0.272 1.00 41.43 C ATOM 1239 CD ARG A 136 7.126 7.019 0.298 1.00 74.23 C ATOM 1240 NE ARG A 136 5.976 7.552 -0.428 1.00 41.31 N ATOM 1241 CZ ARG A 136 5.195 8.519 0.041 1.00 34.40 C ATOM 1242 NH1 ARG A 136 5.438 9.055 1.229 1.00 63.21 N ATOM 1243 NH2 ARG A 136 4.167 8.951 -0.679 1.00 22.12 N ATOM 0 H ARG A 136 11.130 5.698 1.433 1.00 22.41 H new ATOM 0 HA ARG A 136 10.688 7.677 -0.574 1.00 22.44 H new ATOM 0 HB2 ARG A 136 9.235 6.456 1.462 1.00 1.15 H new ATOM 0 HB3 ARG A 136 9.455 8.084 2.075 1.00 1.15 H new ATOM 0 HG2 ARG A 136 7.987 8.962 0.599 1.00 41.43 H new ATOM 0 HG3 ARG A 136 8.671 8.077 -0.751 1.00 41.43 H new ATOM 0 HD2 ARG A 136 7.420 6.065 -0.139 1.00 74.23 H new ATOM 0 HD3 ARG A 136 6.842 6.822 1.332 1.00 74.23 H new ATOM 0 HE ARG A 136 5.761 7.160 -1.345 1.00 41.31 H new ATOM 0 HH11 ARG A 136 6.226 8.725 1.786 1.00 63.21 H new ATOM 0 HH12 ARG A 136 4.837 9.797 1.586 1.00 63.21 H new ATOM 0 HH21 ARG A 136 3.976 8.540 -1.593 1.00 22.12 H new ATOM 0 HH22 ARG A 136 3.568 9.693 -0.318 1.00 22.12 H new ATOM 1257 N SER A 137 12.494 8.477 1.986 1.00 22.55 N ATOM 1258 CA SER A 137 13.304 9.529 2.589 1.00 21.21 C ATOM 1259 C SER A 137 14.696 9.567 1.966 1.00 41.32 C ATOM 1260 O SER A 137 15.342 10.615 1.923 1.00 70.13 O ATOM 1261 CB SER A 137 13.415 9.314 4.100 1.00 41.22 C ATOM 1262 OG SER A 137 13.661 10.537 4.772 1.00 52.30 O ATOM 0 H SER A 137 12.678 7.542 2.350 1.00 22.55 H new ATOM 0 HA SER A 137 12.814 10.484 2.400 1.00 21.21 H new ATOM 0 HB2 SER A 137 12.494 8.868 4.476 1.00 41.22 H new ATOM 0 HB3 SER A 137 14.220 8.610 4.312 1.00 41.22 H new ATOM 0 HG SER A 137 13.726 10.373 5.736 1.00 52.30 H new ATOM 1268 N THR A 138 15.153 8.416 1.483 1.00 44.11 N ATOM 1269 CA THR A 138 16.469 8.316 0.863 1.00 74.02 C ATOM 1270 C THR A 138 16.352 8.125 -0.645 1.00 44.31 C ATOM 1271 O THR A 138 15.349 7.613 -1.140 1.00 75.11 O ATOM 1272 CB THR A 138 17.282 7.150 1.455 1.00 33.52 C ATOM 1273 OG1 THR A 138 18.675 7.336 1.184 1.00 2.31 O ATOM 1274 CG2 THR A 138 16.821 5.820 0.877 1.00 40.12 C ATOM 0 H THR A 138 14.631 7.540 1.509 1.00 44.11 H new ATOM 0 HA THR A 138 16.988 9.252 1.069 1.00 74.02 H new ATOM 0 HB THR A 138 17.121 7.135 2.533 1.00 33.52 H new ATOM 0 HG1 THR A 138 19.185 6.591 1.565 1.00 2.31 H new ATOM 0 HG21 THR A 138 17.410 5.011 1.310 1.00 40.12 H new ATOM 0 HG22 THR A 138 15.767 5.667 1.111 1.00 40.12 H new ATOM 0 HG23 THR A 138 16.955 5.827 -0.205 1.00 40.12 H new ATOM 1282 N SER A 139 17.386 8.540 -1.371 1.00 11.12 N ATOM 1283 CA SER A 139 17.398 8.417 -2.824 1.00 10.42 C ATOM 1284 C SER A 139 16.942 7.027 -3.255 1.00 61.14 C ATOM 1285 O SER A 139 16.840 6.113 -2.437 1.00 61.44 O ATOM 1286 CB SER A 139 18.799 8.699 -3.369 1.00 4.21 C ATOM 1287 OG SER A 139 18.854 8.489 -4.769 1.00 72.12 O ATOM 0 H SER A 139 18.226 8.964 -0.977 1.00 11.12 H new ATOM 0 HA SER A 139 16.703 9.151 -3.232 1.00 10.42 H new ATOM 0 HB2 SER A 139 19.081 9.727 -3.141 1.00 4.21 H new ATOM 0 HB3 SER A 139 19.523 8.052 -2.873 1.00 4.21 H new ATOM 0 HG SER A 139 19.760 8.677 -5.093 1.00 72.12 H new ATOM 1293 N VAL A 140 16.669 6.875 -4.547 1.00 51.14 N ATOM 1294 CA VAL A 140 16.225 5.597 -5.090 1.00 32.31 C ATOM 1295 C VAL A 140 16.999 5.237 -6.353 1.00 21.11 C ATOM 1296 O VAL A 140 17.321 4.072 -6.585 1.00 65.21 O ATOM 1297 CB VAL A 140 14.719 5.616 -5.412 1.00 52.52 C ATOM 1298 CG1 VAL A 140 13.905 5.850 -4.148 1.00 61.53 C ATOM 1299 CG2 VAL A 140 14.412 6.679 -6.457 1.00 70.51 C ATOM 0 H VAL A 140 16.748 7.622 -5.237 1.00 51.14 H new ATOM 0 HA VAL A 140 16.416 4.845 -4.324 1.00 32.31 H new ATOM 0 HB VAL A 140 14.440 4.645 -5.820 1.00 52.52 H new ATOM 0 HG11 VAL A 140 12.844 5.860 -4.395 1.00 61.53 H new ATOM 0 HG12 VAL A 140 14.103 5.051 -3.434 1.00 61.53 H new ATOM 0 HG13 VAL A 140 14.184 6.807 -3.708 1.00 61.53 H new ATOM 0 HG21 VAL A 140 13.344 6.679 -6.673 1.00 70.51 H new ATOM 0 HG22 VAL A 140 14.706 7.658 -6.078 1.00 70.51 H new ATOM 0 HG23 VAL A 140 14.967 6.463 -7.370 1.00 70.51 H new ATOM 1309 N SER A 141 17.295 6.245 -7.167 1.00 10.55 N ATOM 1310 CA SER A 141 18.029 6.035 -8.409 1.00 1.42 C ATOM 1311 C SER A 141 19.522 6.271 -8.204 1.00 25.43 C ATOM 1312 O SER A 141 19.936 6.880 -7.217 1.00 63.22 O ATOM 1313 CB SER A 141 17.500 6.966 -9.502 1.00 62.21 C ATOM 1314 OG SER A 141 17.968 8.290 -9.315 1.00 12.32 O ATOM 0 H SER A 141 17.038 7.216 -6.988 1.00 10.55 H new ATOM 0 HA SER A 141 17.881 5.001 -8.719 1.00 1.42 H new ATOM 0 HB2 SER A 141 17.815 6.600 -10.479 1.00 62.21 H new ATOM 0 HB3 SER A 141 16.410 6.958 -9.495 1.00 62.21 H new ATOM 0 HG SER A 141 18.134 8.447 -8.362 1.00 12.32 H new ATOM 1320 N ARG A 142 20.326 5.783 -9.143 1.00 23.20 N ATOM 1321 CA ARG A 142 21.774 5.938 -9.066 1.00 11.02 C ATOM 1322 C ARG A 142 22.253 7.042 -10.004 1.00 21.10 C ATOM 1323 O ARG A 142 23.420 7.077 -10.391 1.00 41.44 O ATOM 1324 CB ARG A 142 22.469 4.620 -9.414 1.00 52.52 C ATOM 1325 CG ARG A 142 21.979 3.438 -8.594 1.00 51.13 C ATOM 1326 CD ARG A 142 22.859 3.201 -7.377 1.00 42.32 C ATOM 1327 NE ARG A 142 22.345 3.878 -6.190 1.00 35.35 N ATOM 1328 CZ ARG A 142 22.696 3.555 -4.950 1.00 4.42 C ATOM 1329 NH1 ARG A 142 23.560 2.572 -4.737 1.00 12.14 N ATOM 1330 NH2 ARG A 142 22.185 4.218 -3.920 1.00 74.22 N ATOM 0 H ARG A 142 19.999 5.277 -9.966 1.00 23.20 H new ATOM 0 HA ARG A 142 22.031 6.217 -8.044 1.00 11.02 H new ATOM 0 HB2 ARG A 142 22.315 4.406 -10.472 1.00 52.52 H new ATOM 0 HB3 ARG A 142 23.543 4.735 -9.265 1.00 52.52 H new ATOM 0 HG2 ARG A 142 20.953 3.617 -8.273 1.00 51.13 H new ATOM 0 HG3 ARG A 142 21.967 2.543 -9.216 1.00 51.13 H new ATOM 0 HD2 ARG A 142 22.928 2.131 -7.183 1.00 42.32 H new ATOM 0 HD3 ARG A 142 23.869 3.553 -7.586 1.00 42.32 H new ATOM 0 HE ARG A 142 21.680 4.641 -6.320 1.00 35.35 H new ATOM 0 HH11 ARG A 142 23.957 2.062 -5.526 1.00 12.14 H new ATOM 0 HH12 ARG A 142 23.828 2.326 -3.784 1.00 12.14 H new ATOM 0 HH21 ARG A 142 21.522 4.976 -4.080 1.00 74.22 H new ATOM 0 HH22 ARG A 142 22.455 3.969 -2.968 1.00 74.22 H new ATOM 1344 N ASN A 143 21.343 7.941 -10.365 1.00 61.34 N ATOM 1345 CA ASN A 143 21.673 9.045 -11.259 1.00 55.11 C ATOM 1346 C ASN A 143 21.244 10.379 -10.656 1.00 3.42 C ATOM 1347 O ASN A 143 22.017 11.337 -10.631 1.00 63.43 O ATOM 1348 CB ASN A 143 20.998 8.847 -12.618 1.00 42.32 C ATOM 1349 CG ASN A 143 21.841 9.373 -13.764 1.00 0.52 C ATOM 1350 OD1 ASN A 143 21.630 10.487 -14.244 1.00 0.43 O ATOM 1351 ND2 ASN A 143 22.802 8.572 -14.208 1.00 22.11 N ATOM 0 H ASN A 143 20.372 7.927 -10.052 1.00 61.34 H new ATOM 0 HA ASN A 143 22.754 9.059 -11.396 1.00 55.11 H new ATOM 0 HB2 ASN A 143 20.802 7.786 -12.772 1.00 42.32 H new ATOM 0 HB3 ASN A 143 20.033 9.353 -12.618 1.00 42.32 H new ATOM 0 HD21 ASN A 143 23.401 8.872 -14.977 1.00 22.11 H new ATOM 0 HD22 ASN A 143 22.941 7.657 -13.780 1.00 22.11 H new ATOM 1358 N GLN A 144 20.008 10.433 -10.170 1.00 4.41 N ATOM 1359 CA GLN A 144 19.478 11.650 -9.567 1.00 13.32 C ATOM 1360 C GLN A 144 18.947 11.376 -8.164 1.00 34.52 C ATOM 1361 O GLN A 144 19.000 10.245 -7.681 1.00 23.12 O ATOM 1362 CB GLN A 144 18.366 12.235 -10.440 1.00 64.12 C ATOM 1363 CG GLN A 144 18.876 13.153 -11.540 1.00 31.24 C ATOM 1364 CD GLN A 144 18.457 12.695 -12.923 1.00 22.02 C ATOM 1365 OE1 GLN A 144 17.630 11.794 -13.067 1.00 64.14 O ATOM 1366 NE2 GLN A 144 19.027 13.315 -13.950 1.00 30.14 N ATOM 0 H GLN A 144 19.356 9.649 -10.182 1.00 4.41 H new ATOM 0 HA GLN A 144 20.291 12.372 -9.494 1.00 13.32 H new ATOM 0 HB2 GLN A 144 17.802 11.419 -10.892 1.00 64.12 H new ATOM 0 HB3 GLN A 144 17.673 12.789 -9.808 1.00 64.12 H new ATOM 0 HG2 GLN A 144 18.503 14.163 -11.367 1.00 31.24 H new ATOM 0 HG3 GLN A 144 19.964 13.202 -11.492 1.00 31.24 H new ATOM 0 HE21 GLN A 144 19.708 14.056 -13.784 1.00 30.14 H new ATOM 0 HE22 GLN A 144 18.784 13.050 -14.904 1.00 30.14 H new ATOM 1375 N GLN A 145 18.435 12.417 -7.516 1.00 21.04 N ATOM 1376 CA GLN A 145 17.895 12.287 -6.167 1.00 64.12 C ATOM 1377 C GLN A 145 16.373 12.198 -6.196 1.00 41.04 C ATOM 1378 O GLN A 145 15.679 13.168 -5.890 1.00 3.10 O ATOM 1379 CB GLN A 145 18.332 13.471 -5.304 1.00 5.52 C ATOM 1380 CG GLN A 145 17.852 14.816 -5.826 1.00 74.55 C ATOM 1381 CD GLN A 145 18.743 15.963 -5.394 1.00 21.22 C ATOM 1382 OE1 GLN A 145 19.390 15.901 -4.348 1.00 1.11 O ATOM 1383 NE2 GLN A 145 18.782 17.019 -6.198 1.00 70.42 N ATOM 0 H GLN A 145 18.383 13.359 -7.903 1.00 21.04 H new ATOM 0 HA GLN A 145 18.286 11.367 -5.733 1.00 64.12 H new ATOM 0 HB2 GLN A 145 17.956 13.329 -4.291 1.00 5.52 H new ATOM 0 HB3 GLN A 145 19.420 13.482 -5.242 1.00 5.52 H new ATOM 0 HG2 GLN A 145 17.810 14.784 -6.915 1.00 74.55 H new ATOM 0 HG3 GLN A 145 16.837 14.997 -5.473 1.00 74.55 H new ATOM 0 HE21 GLN A 145 18.229 17.028 -7.055 1.00 70.42 H new ATOM 0 HE22 GLN A 145 19.365 17.821 -5.958 1.00 70.42 H new ATOM 1392 N ILE A 146 15.861 11.029 -6.567 1.00 13.51 N ATOM 1393 CA ILE A 146 14.421 10.815 -6.635 1.00 74.41 C ATOM 1394 C ILE A 146 13.915 10.082 -5.397 1.00 71.01 C ATOM 1395 O ILE A 146 14.679 9.410 -4.704 1.00 45.05 O ATOM 1396 CB ILE A 146 14.030 10.010 -7.889 1.00 43.21 C ATOM 1397 CG1 ILE A 146 14.357 10.806 -9.154 1.00 65.24 C ATOM 1398 CG2 ILE A 146 12.552 9.652 -7.850 1.00 22.14 C ATOM 1399 CD1 ILE A 146 14.604 9.937 -10.368 1.00 31.22 C ATOM 0 H ILE A 146 16.421 10.217 -6.825 1.00 13.51 H new ATOM 0 HA ILE A 146 13.958 11.800 -6.686 1.00 74.41 H new ATOM 0 HB ILE A 146 14.607 9.085 -7.904 1.00 43.21 H new ATOM 0 HG12 ILE A 146 13.534 11.488 -9.367 1.00 65.24 H new ATOM 0 HG13 ILE A 146 15.240 11.419 -8.970 1.00 65.24 H new ATOM 0 HG21 ILE A 146 12.292 9.084 -8.743 1.00 22.14 H new ATOM 0 HG22 ILE A 146 12.346 9.051 -6.964 1.00 22.14 H new ATOM 0 HG23 ILE A 146 11.957 10.565 -7.815 1.00 22.14 H new ATOM 0 HD11 ILE A 146 14.830 10.568 -11.227 1.00 31.22 H new ATOM 0 HD12 ILE A 146 15.446 9.273 -10.175 1.00 31.22 H new ATOM 0 HD13 ILE A 146 13.714 9.343 -10.578 1.00 31.22 H new ATOM 1411 N PHE A 147 12.621 10.215 -5.125 1.00 71.21 N ATOM 1412 CA PHE A 147 12.012 9.565 -3.971 1.00 33.44 C ATOM 1413 C PHE A 147 10.750 8.808 -4.376 1.00 21.24 C ATOM 1414 O PHE A 147 10.217 9.006 -5.468 1.00 61.03 O ATOM 1415 CB PHE A 147 11.676 10.599 -2.894 1.00 41.13 C ATOM 1416 CG PHE A 147 12.884 11.296 -2.335 1.00 34.50 C ATOM 1417 CD1 PHE A 147 14.019 10.578 -1.997 1.00 64.43 C ATOM 1418 CD2 PHE A 147 12.882 12.668 -2.146 1.00 45.34 C ATOM 1419 CE1 PHE A 147 15.132 11.215 -1.483 1.00 5.53 C ATOM 1420 CE2 PHE A 147 13.993 13.312 -1.633 1.00 34.43 C ATOM 1421 CZ PHE A 147 15.118 12.584 -1.299 1.00 45.22 C ATOM 0 H PHE A 147 11.974 10.767 -5.688 1.00 71.21 H new ATOM 0 HA PHE A 147 12.730 8.851 -3.568 1.00 33.44 H new ATOM 0 HB2 PHE A 147 10.999 11.343 -3.314 1.00 41.13 H new ATOM 0 HB3 PHE A 147 11.143 10.106 -2.082 1.00 41.13 H new ATOM 0 HD1 PHE A 147 14.034 9.507 -2.137 1.00 64.43 H new ATOM 0 HD2 PHE A 147 12.003 13.241 -2.402 1.00 45.34 H new ATOM 0 HE1 PHE A 147 16.012 10.644 -1.225 1.00 5.53 H new ATOM 0 HE2 PHE A 147 13.981 14.383 -1.494 1.00 34.43 H new ATOM 0 HZ PHE A 147 15.986 13.084 -0.895 1.00 45.22 H new ATOM 1431 N LEU A 148 10.278 7.940 -3.488 1.00 30.41 N ATOM 1432 CA LEU A 148 9.079 7.151 -3.752 1.00 0.44 C ATOM 1433 C LEU A 148 7.824 8.008 -3.620 1.00 41.41 C ATOM 1434 O LEU A 148 7.441 8.401 -2.518 1.00 21.22 O ATOM 1435 CB LEU A 148 9.003 5.965 -2.789 1.00 61.33 C ATOM 1436 CG LEU A 148 10.171 4.979 -2.846 1.00 11.23 C ATOM 1437 CD1 LEU A 148 9.785 3.657 -2.201 1.00 1.14 C ATOM 1438 CD2 LEU A 148 10.617 4.763 -4.284 1.00 61.33 C ATOM 0 H LEU A 148 10.707 7.764 -2.579 1.00 30.41 H new ATOM 0 HA LEU A 148 9.137 6.778 -4.775 1.00 0.44 H new ATOM 0 HB2 LEU A 148 8.929 6.352 -1.773 1.00 61.33 H new ATOM 0 HB3 LEU A 148 8.082 5.418 -2.989 1.00 61.33 H new ATOM 0 HG LEU A 148 11.006 5.402 -2.288 1.00 11.23 H new ATOM 0 HD11 LEU A 148 10.628 2.968 -2.251 1.00 1.14 H new ATOM 0 HD12 LEU A 148 9.515 3.826 -1.158 1.00 1.14 H new ATOM 0 HD13 LEU A 148 8.934 3.228 -2.731 1.00 1.14 H new ATOM 0 HD21 LEU A 148 11.449 4.059 -4.305 1.00 61.33 H new ATOM 0 HD22 LEU A 148 9.787 4.362 -4.866 1.00 61.33 H new ATOM 0 HD23 LEU A 148 10.935 5.713 -4.713 1.00 61.33 H new ATOM 1450 N ARG A 149 7.187 8.293 -4.751 1.00 42.42 N ATOM 1451 CA ARG A 149 5.975 9.103 -4.762 1.00 72.12 C ATOM 1452 C ARG A 149 4.741 8.237 -4.526 1.00 72.00 C ATOM 1453 O ARG A 149 4.674 7.096 -4.983 1.00 62.20 O ATOM 1454 CB ARG A 149 5.843 9.845 -6.094 1.00 22.52 C ATOM 1455 CG ARG A 149 6.762 11.050 -6.213 1.00 72.40 C ATOM 1456 CD ARG A 149 6.306 12.189 -5.315 1.00 33.32 C ATOM 1457 NE ARG A 149 6.233 13.458 -6.034 1.00 73.43 N ATOM 1458 CZ ARG A 149 7.275 14.261 -6.215 1.00 62.33 C ATOM 1459 NH1 ARG A 149 8.464 13.928 -5.732 1.00 43.13 N ATOM 1460 NH2 ARG A 149 7.129 15.399 -6.881 1.00 44.21 N ATOM 0 H ARG A 149 7.490 7.975 -5.672 1.00 42.42 H new ATOM 0 HA ARG A 149 6.048 9.831 -3.954 1.00 72.12 H new ATOM 0 HB2 ARG A 149 6.057 9.153 -6.909 1.00 22.52 H new ATOM 0 HB3 ARG A 149 4.811 10.172 -6.217 1.00 22.52 H new ATOM 0 HG2 ARG A 149 7.779 10.761 -5.948 1.00 72.40 H new ATOM 0 HG3 ARG A 149 6.787 11.389 -7.249 1.00 72.40 H new ATOM 0 HD2 ARG A 149 5.327 11.952 -4.898 1.00 33.32 H new ATOM 0 HD3 ARG A 149 6.995 12.287 -4.476 1.00 33.32 H new ATOM 0 HE ARG A 149 5.332 13.743 -6.418 1.00 73.43 H new ATOM 0 HH11 ARG A 149 8.580 13.053 -5.220 1.00 43.13 H new ATOM 0 HH12 ARG A 149 9.263 14.546 -5.872 1.00 43.13 H new ATOM 0 HH21 ARG A 149 6.216 15.658 -7.254 1.00 44.21 H new ATOM 0 HH22 ARG A 149 7.930 16.015 -7.020 1.00 44.21 H new ATOM 1474 N ASP A 150 3.767 8.787 -3.809 1.00 52.25 N ATOM 1475 CA ASP A 150 2.535 8.066 -3.513 1.00 33.23 C ATOM 1476 C ASP A 150 1.842 7.623 -4.797 1.00 74.44 C ATOM 1477 O ASP A 150 1.558 8.439 -5.675 1.00 3.04 O ATOM 1478 CB ASP A 150 1.592 8.942 -2.686 1.00 61.21 C ATOM 1479 CG ASP A 150 0.598 8.126 -1.883 1.00 63.31 C ATOM 1480 OD1 ASP A 150 1.014 7.119 -1.273 1.00 31.13 O ATOM 1481 OD2 ASP A 150 -0.595 8.493 -1.866 1.00 13.21 O ATOM 0 H ASP A 150 3.807 9.730 -3.422 1.00 52.25 H new ATOM 0 HA ASP A 150 2.793 7.178 -2.936 1.00 33.23 H new ATOM 0 HB2 ASP A 150 2.178 9.563 -2.009 1.00 61.21 H new ATOM 0 HB3 ASP A 150 1.051 9.616 -3.350 1.00 61.21 H new ATOM 1486 N ILE A 151 1.573 6.326 -4.901 1.00 73.43 N ATOM 1487 CA ILE A 151 0.913 5.775 -6.079 1.00 21.34 C ATOM 1488 C ILE A 151 -0.566 5.518 -5.810 1.00 40.05 C ATOM 1489 O ILE A 151 -0.959 5.218 -4.684 1.00 31.02 O ATOM 1490 CB ILE A 151 1.576 4.461 -6.533 1.00 24.05 C ATOM 1491 CG1 ILE A 151 1.361 4.247 -8.032 1.00 71.11 C ATOM 1492 CG2 ILE A 151 1.023 3.287 -5.739 1.00 60.54 C ATOM 1493 CD1 ILE A 151 0.181 3.355 -8.352 1.00 5.31 C ATOM 0 H ILE A 151 1.802 5.637 -4.184 1.00 73.43 H new ATOM 0 HA ILE A 151 1.013 6.516 -6.872 1.00 21.34 H new ATOM 0 HB ILE A 151 2.648 4.528 -6.346 1.00 24.05 H new ATOM 0 HG12 ILE A 151 1.215 5.215 -8.512 1.00 71.11 H new ATOM 0 HG13 ILE A 151 2.263 3.811 -8.462 1.00 71.11 H new ATOM 0 HG21 ILE A 151 1.501 2.366 -6.071 1.00 60.54 H new ATOM 0 HG22 ILE A 151 1.224 3.438 -4.678 1.00 60.54 H new ATOM 0 HG23 ILE A 151 -0.053 3.215 -5.898 1.00 60.54 H new ATOM 0 HD11 ILE A 151 0.089 3.248 -9.433 1.00 5.31 H new ATOM 0 HD12 ILE A 151 0.334 2.374 -7.902 1.00 5.31 H new ATOM 0 HD13 ILE A 151 -0.730 3.800 -7.952 1.00 5.31 H new ATOM 1505 N GLU A 152 -1.380 5.637 -6.854 1.00 74.44 N ATOM 1506 CA GLU A 152 -2.817 5.416 -6.731 1.00 4.20 C ATOM 1507 C GLU A 152 -3.110 3.999 -6.246 1.00 2.53 C ATOM 1508 O GLU A 152 -3.015 3.039 -7.010 1.00 12.43 O ATOM 1509 CB GLU A 152 -3.510 5.661 -8.073 1.00 2.22 C ATOM 1510 CG GLU A 152 -4.924 6.202 -7.938 1.00 25.51 C ATOM 1511 CD GLU A 152 -5.943 5.361 -8.681 1.00 60.44 C ATOM 1512 OE1 GLU A 152 -6.088 4.167 -8.342 1.00 43.40 O ATOM 1513 OE2 GLU A 152 -6.596 5.895 -9.602 1.00 65.12 O ATOM 0 H GLU A 152 -1.070 5.885 -7.794 1.00 74.44 H new ATOM 0 HA GLU A 152 -3.205 6.121 -5.996 1.00 4.20 H new ATOM 0 HB2 GLU A 152 -2.915 6.364 -8.657 1.00 2.22 H new ATOM 0 HB3 GLU A 152 -3.539 4.726 -8.633 1.00 2.22 H new ATOM 0 HG2 GLU A 152 -5.194 6.245 -6.883 1.00 25.51 H new ATOM 0 HG3 GLU A 152 -4.956 7.224 -8.317 1.00 25.51 H new ATOM 1520 N GLN A 153 -3.465 3.879 -4.971 1.00 33.23 N ATOM 1521 CA GLN A 153 -3.771 2.580 -4.383 1.00 60.21 C ATOM 1522 C GLN A 153 -5.278 2.369 -4.283 1.00 71.42 C ATOM 1523 O GLN A 153 -6.046 3.328 -4.207 1.00 72.35 O ATOM 1524 CB GLN A 153 -3.134 2.461 -2.997 1.00 74.23 C ATOM 1525 CG GLN A 153 -2.850 1.027 -2.579 1.00 55.13 C ATOM 1526 CD GLN A 153 -3.687 0.588 -1.394 1.00 0.35 C ATOM 1527 OE1 GLN A 153 -4.214 1.417 -0.651 1.00 35.32 O ATOM 1528 NE2 GLN A 153 -3.813 -0.721 -1.210 1.00 10.34 N ATOM 0 H GLN A 153 -3.548 4.665 -4.326 1.00 33.23 H new ATOM 0 HA GLN A 153 -3.357 1.809 -5.033 1.00 60.21 H new ATOM 0 HB2 GLN A 153 -2.202 3.026 -2.985 1.00 74.23 H new ATOM 0 HB3 GLN A 153 -3.795 2.921 -2.262 1.00 74.23 H new ATOM 0 HG2 GLN A 153 -3.042 0.362 -3.421 1.00 55.13 H new ATOM 0 HG3 GLN A 153 -1.794 0.928 -2.330 1.00 55.13 H new ATOM 0 HE21 GLN A 153 -3.359 -1.372 -1.851 1.00 10.34 H new ATOM 0 HE22 GLN A 153 -4.364 -1.075 -0.428 1.00 10.34 H new