USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1147 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 144 HIS : no HE2:sc= 0.868 K(o=2.1,f=-2.7) USER MOD Set 1.2: A 146 SER OG : rot 113:sc= 1.19 USER MOD Set 2.1: A 81 ASN : amide:sc= 0.708 K(o=1.9,f=-12!) USER MOD Set 2.2: A 123 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.353 X(o=0.75,f=0.78) USER MOD Set 3.2: A 25 ASN : amide:sc= 1.1 K(o=0.75,f=0) USER MOD Set 4.1: A 14 THR OG1 : rot -160:sc= 0.15 USER MOD Set 4.2: A 18 CYS SG : rot -110:sc= 0.342 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.282 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.206 K(o=-0.21,f=-8.4!) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 2.41 (180deg=2.26) USER MOD Single : A 6 CYS SG : rot -110:sc= 0.983 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.874 F(o=-5.3!,f=-0.87) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 167:sc= -0.0712 (180deg=-0.795) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.12 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.871 F(o=-1.8,f=-0.87) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= -0.0316 (180deg=-0.467) USER MOD Single : A 34 SER OG : rot 150:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.491) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.69) USER MOD Single : A 60 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 63 GLN : amide:sc= 0.304 K(o=0.3,f=-1.3) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -24:sc= 0.99 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 171:sc= -1.12 (180deg=-2.13) USER MOD Single : A 90 THR OG1 : rot -51:sc= 0.121 USER MOD Single : A 91 CYS SG : rot 180:sc= -0.0183 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc=-0.000562 USER MOD Single : A 96 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.7) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0733) USER MOD Single : A 103 THR OG1 : rot -80:sc= 0.932 USER MOD Single : A 105 THR OG1 : rot 69:sc= 0.617 USER MOD Single : A 106 ASN : amide:sc= -0.0132 K(o=-0.013,f=-7.8!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -2:sc= 0.3 USER MOD Single : A 117 THR OG1 : rot 112:sc=-0.00054 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0165) USER MOD Single : A 136 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0.68) USER MOD Single : A 149 GLN : amide:sc= 1.05 K(o=1,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.261 -6.763 5.299 1.00 4.90 N ATOM 2 CA MET A 1 -15.429 -6.559 4.102 1.00 4.94 C ATOM 3 C MET A 1 -13.978 -6.670 4.552 1.00 4.32 C ATOM 4 O MET A 1 -13.745 -6.550 5.754 1.00 4.68 O ATOM 5 CB MET A 1 -15.775 -5.218 3.435 1.00 5.60 C ATOM 6 CG MET A 1 -17.015 -5.377 2.545 1.00 6.40 C ATOM 7 SD MET A 1 -16.763 -6.485 1.130 1.00 6.64 S ATOM 8 CE MET A 1 -18.472 -6.869 0.696 1.00 7.57 C ATOM 0 H1 MET A 1 -16.803 -7.645 5.199 1.00 4.90 H new ATOM 0 H2 MET A 1 -15.651 -6.825 6.139 1.00 4.90 H new ATOM 0 H3 MET A 1 -16.917 -5.963 5.406 1.00 4.90 H new ATOM 0 HA MET A 1 -15.614 -7.311 3.335 1.00 4.94 H new ATOM 0 HB2 MET A 1 -15.959 -4.461 4.197 1.00 5.60 H new ATOM 0 HB3 MET A 1 -14.931 -4.871 2.838 1.00 5.60 H new ATOM 0 HG2 MET A 1 -17.839 -5.757 3.150 1.00 6.40 H new ATOM 0 HG3 MET A 1 -17.315 -4.396 2.177 1.00 6.40 H new ATOM 0 HE1 MET A 1 -18.487 -7.544 -0.160 1.00 7.57 H new ATOM 0 HE2 MET A 1 -18.964 -7.347 1.543 1.00 7.57 H new ATOM 0 HE3 MET A 1 -18.999 -5.949 0.442 1.00 7.57 H new ATOM 20 N ALA A 2 -13.051 -6.994 3.650 1.00 3.63 N ATOM 21 CA ALA A 2 -11.693 -7.378 4.001 1.00 3.18 C ATOM 22 C ALA A 2 -10.986 -6.190 4.661 1.00 2.75 C ATOM 23 O ALA A 2 -10.752 -5.181 3.996 1.00 2.91 O ATOM 24 CB ALA A 2 -10.944 -7.863 2.756 1.00 3.36 C ATOM 0 H ALA A 2 -13.229 -6.996 2.646 1.00 3.63 H new ATOM 0 HA ALA A 2 -11.712 -8.203 4.713 1.00 3.18 H new ATOM 0 HB1 ALA A 2 -9.928 -8.148 3.030 1.00 3.36 H new ATOM 0 HB2 ALA A 2 -11.461 -8.724 2.333 1.00 3.36 H new ATOM 0 HB3 ALA A 2 -10.909 -7.062 2.017 1.00 3.36 H new ATOM 30 N PRO A 3 -10.663 -6.260 5.961 1.00 2.51 N ATOM 31 CA PRO A 3 -10.171 -5.105 6.675 1.00 2.49 C ATOM 32 C PRO A 3 -8.713 -4.852 6.327 1.00 2.28 C ATOM 33 O PRO A 3 -7.807 -5.559 6.761 1.00 2.44 O ATOM 34 CB PRO A 3 -10.345 -5.424 8.149 1.00 2.74 C ATOM 35 CG PRO A 3 -10.215 -6.949 8.197 1.00 2.77 C ATOM 36 CD PRO A 3 -10.797 -7.401 6.854 1.00 2.66 C ATOM 0 HA PRO A 3 -10.713 -4.198 6.409 1.00 2.49 H new ATOM 0 HB2 PRO A 3 -9.585 -4.936 8.759 1.00 2.74 H new ATOM 0 HB3 PRO A 3 -11.314 -5.091 8.521 1.00 2.74 H new ATOM 0 HG2 PRO A 3 -9.176 -7.260 8.309 1.00 2.77 H new ATOM 0 HG3 PRO A 3 -10.767 -7.372 9.036 1.00 2.77 H new ATOM 0 HD2 PRO A 3 -10.260 -8.267 6.466 1.00 2.66 H new ATOM 0 HD3 PRO A 3 -11.841 -7.695 6.959 1.00 2.66 H new ATOM 44 N GLN A 4 -8.516 -3.784 5.574 1.00 2.03 N ATOM 45 CA GLN A 4 -7.225 -3.210 5.264 1.00 1.95 C ATOM 46 C GLN A 4 -7.234 -1.801 5.842 1.00 1.94 C ATOM 47 O GLN A 4 -8.303 -1.239 6.059 1.00 2.16 O ATOM 48 CB GLN A 4 -7.047 -3.163 3.744 1.00 1.98 C ATOM 49 CG GLN A 4 -6.255 -4.334 3.165 1.00 2.19 C ATOM 50 CD GLN A 4 -6.837 -5.721 3.409 1.00 2.32 C ATOM 51 OE1 GLN A 4 -6.074 -6.648 3.636 1.00 2.98 O ATOM 52 NE2 GLN A 4 -8.147 -5.919 3.340 1.00 2.48 N ATOM 0 H GLN A 4 -9.288 -3.273 5.145 1.00 2.03 H new ATOM 0 HA GLN A 4 -6.406 -3.795 5.682 1.00 1.95 H new ATOM 0 HB2 GLN A 4 -8.031 -3.139 3.276 1.00 1.98 H new ATOM 0 HB3 GLN A 4 -6.544 -2.233 3.478 1.00 1.98 H new ATOM 0 HG2 GLN A 4 -6.160 -4.186 2.089 1.00 2.19 H new ATOM 0 HG3 GLN A 4 -5.248 -4.306 3.581 1.00 2.19 H new ATOM 0 HE21 GLN A 4 -8.772 -5.136 3.150 1.00 2.48 H new ATOM 0 HE22 GLN A 4 -8.529 -6.855 3.477 1.00 2.48 H new ATOM 61 N LYS A 5 -6.052 -1.233 6.076 1.00 1.82 N ATOM 62 CA LYS A 5 -5.888 0.188 6.349 1.00 1.72 C ATOM 63 C LYS A 5 -5.370 0.849 5.077 1.00 1.64 C ATOM 64 O LYS A 5 -4.978 0.135 4.162 1.00 1.74 O ATOM 65 CB LYS A 5 -5.011 0.380 7.594 1.00 1.82 C ATOM 66 CG LYS A 5 -3.514 0.085 7.388 1.00 2.21 C ATOM 67 CD LYS A 5 -2.879 -0.540 8.645 1.00 2.38 C ATOM 68 CE LYS A 5 -2.636 -2.053 8.503 1.00 2.87 C ATOM 69 NZ LYS A 5 -1.447 -2.377 7.674 1.00 4.00 N ATOM 0 H LYS A 5 -5.175 -1.754 6.081 1.00 1.82 H new ATOM 0 HA LYS A 5 -6.829 0.679 6.597 1.00 1.72 H new ATOM 0 HB2 LYS A 5 -5.119 1.408 7.941 1.00 1.82 H new ATOM 0 HB3 LYS A 5 -5.387 -0.265 8.388 1.00 1.82 H new ATOM 0 HG2 LYS A 5 -3.389 -0.591 6.542 1.00 2.21 H new ATOM 0 HG3 LYS A 5 -2.992 1.008 7.137 1.00 2.21 H new ATOM 0 HD2 LYS A 5 -1.932 -0.043 8.853 1.00 2.38 H new ATOM 0 HD3 LYS A 5 -3.528 -0.360 9.502 1.00 2.38 H new ATOM 0 HE2 LYS A 5 -2.510 -2.489 9.494 1.00 2.87 H new ATOM 0 HE3 LYS A 5 -3.518 -2.517 8.060 1.00 2.87 H new ATOM 0 HZ1 LYS A 5 -1.286 -3.404 7.685 1.00 4.00 H new ATOM 0 HZ2 LYS A 5 -1.609 -2.062 6.696 1.00 4.00 H new ATOM 0 HZ3 LYS A 5 -0.612 -1.892 8.060 1.00 4.00 H new ATOM 83 N CYS A 6 -5.390 2.175 4.971 1.00 1.55 N ATOM 84 CA CYS A 6 -4.730 2.881 3.875 1.00 1.42 C ATOM 85 C CYS A 6 -4.128 4.173 4.411 1.00 1.29 C ATOM 86 O CYS A 6 -4.868 5.003 4.929 1.00 1.31 O ATOM 87 CB CYS A 6 -5.630 3.126 2.645 1.00 1.34 C ATOM 88 SG CYS A 6 -7.390 2.816 2.922 1.00 3.56 S ATOM 0 H CYS A 6 -5.861 2.787 5.637 1.00 1.55 H new ATOM 0 HA CYS A 6 -3.939 2.233 3.497 1.00 1.42 H new ATOM 0 HB2 CYS A 6 -5.504 4.159 2.319 1.00 1.34 H new ATOM 0 HB3 CYS A 6 -5.287 2.490 1.829 1.00 1.34 H new ATOM 0 HG CYS A 6 -7.750 1.749 2.273 1.00 3.56 H new ATOM 94 N PHE A 7 -2.805 4.338 4.292 1.00 1.27 N ATOM 95 CA PHE A 7 -2.075 5.456 4.882 1.00 1.22 C ATOM 96 C PHE A 7 -1.837 6.541 3.838 1.00 1.10 C ATOM 97 O PHE A 7 -0.798 6.518 3.179 1.00 1.23 O ATOM 98 CB PHE A 7 -0.717 4.961 5.407 1.00 1.36 C ATOM 99 CG PHE A 7 -0.792 4.210 6.719 1.00 1.55 C ATOM 100 CD1 PHE A 7 -0.997 4.926 7.913 1.00 2.69 C ATOM 101 CD2 PHE A 7 -0.547 2.826 6.764 1.00 2.31 C ATOM 102 CE1 PHE A 7 -0.989 4.254 9.146 1.00 2.88 C ATOM 103 CE2 PHE A 7 -0.476 2.168 8.003 1.00 2.71 C ATOM 104 CZ PHE A 7 -0.742 2.872 9.191 1.00 2.35 C ATOM 0 H PHE A 7 -2.209 3.690 3.777 1.00 1.27 H new ATOM 0 HA PHE A 7 -2.665 5.868 5.701 1.00 1.22 H new ATOM 0 HB2 PHE A 7 -0.265 4.313 4.656 1.00 1.36 H new ATOM 0 HB3 PHE A 7 -0.054 5.817 5.530 1.00 1.36 H new ATOM 0 HD1 PHE A 7 -1.161 5.993 7.881 1.00 2.69 H new ATOM 0 HD2 PHE A 7 -0.414 2.270 5.848 1.00 2.31 H new ATOM 0 HE1 PHE A 7 -1.173 4.800 10.060 1.00 2.88 H new ATOM 0 HE2 PHE A 7 -0.217 1.120 8.043 1.00 2.71 H new ATOM 0 HZ PHE A 7 -0.756 2.351 10.137 1.00 2.35 H new ATOM 114 N LEU A 8 -2.749 7.508 3.696 1.00 0.92 N ATOM 115 CA LEU A 8 -2.554 8.631 2.787 1.00 0.83 C ATOM 116 C LEU A 8 -2.639 9.953 3.528 1.00 0.83 C ATOM 117 O LEU A 8 -3.019 10.016 4.696 1.00 0.98 O ATOM 118 CB LEU A 8 -3.434 8.530 1.514 1.00 0.76 C ATOM 119 CG LEU A 8 -4.852 7.981 1.698 1.00 1.05 C ATOM 120 CD1 LEU A 8 -5.816 9.080 2.145 1.00 2.67 C ATOM 121 CD2 LEU A 8 -5.372 7.351 0.403 1.00 1.93 C ATOM 0 H LEU A 8 -3.633 7.531 4.204 1.00 0.92 H new ATOM 0 HA LEU A 8 -1.537 8.583 2.397 1.00 0.83 H new ATOM 0 HB2 LEU A 8 -3.509 9.524 1.073 1.00 0.76 H new ATOM 0 HB3 LEU A 8 -2.916 7.899 0.792 1.00 0.76 H new ATOM 0 HG LEU A 8 -4.801 7.215 2.472 1.00 1.05 H new ATOM 0 HD11 LEU A 8 -6.815 8.660 2.267 1.00 2.67 H new ATOM 0 HD12 LEU A 8 -5.478 9.496 3.094 1.00 2.67 H new ATOM 0 HD13 LEU A 8 -5.843 9.868 1.393 1.00 2.67 H new ATOM 0 HD21 LEU A 8 -6.381 6.970 0.563 1.00 1.93 H new ATOM 0 HD22 LEU A 8 -5.389 8.103 -0.386 1.00 1.93 H new ATOM 0 HD23 LEU A 8 -4.717 6.531 0.109 1.00 1.93 H new ATOM 133 N GLN A 9 -2.191 11.019 2.873 1.00 0.74 N ATOM 134 CA GLN A 9 -2.317 12.356 3.402 1.00 0.75 C ATOM 135 C GLN A 9 -3.136 13.180 2.425 1.00 0.66 C ATOM 136 O GLN A 9 -3.173 12.865 1.235 1.00 0.70 O ATOM 137 CB GLN A 9 -0.919 12.907 3.698 1.00 0.85 C ATOM 138 CG GLN A 9 -0.254 13.710 2.579 1.00 1.70 C ATOM 139 CD GLN A 9 0.114 12.985 1.294 1.00 1.00 C ATOM 140 OE1 GLN A 9 -0.707 13.165 0.267 1.00 1.94 O flip ATOM 141 NE2 GLN A 9 1.176 12.383 1.192 1.00 1.16 N flip ATOM 0 H GLN A 9 -1.733 10.972 1.963 1.00 0.74 H new ATOM 0 HA GLN A 9 -2.852 12.384 4.351 1.00 0.75 H new ATOM 0 HB2 GLN A 9 -0.982 13.541 4.583 1.00 0.85 H new ATOM 0 HB3 GLN A 9 -0.268 12.070 3.951 1.00 0.85 H new ATOM 0 HG2 GLN A 9 -0.920 14.532 2.318 1.00 1.70 H new ATOM 0 HG3 GLN A 9 0.656 14.153 2.983 1.00 1.70 H new ATOM 0 HE21 GLN A 9 1.777 12.268 2.008 1.00 1.16 H new ATOM 0 HE22 GLN A 9 1.459 11.997 0.291 1.00 1.16 H new ATOM 150 N ILE A 10 -3.770 14.247 2.906 1.00 0.66 N ATOM 151 CA ILE A 10 -4.444 15.195 2.058 1.00 0.67 C ATOM 152 C ILE A 10 -3.512 16.389 1.865 1.00 0.70 C ATOM 153 O ILE A 10 -2.793 16.759 2.795 1.00 0.79 O ATOM 154 CB ILE A 10 -5.773 15.594 2.713 1.00 0.85 C ATOM 155 CG1 ILE A 10 -6.683 14.383 2.988 1.00 0.88 C ATOM 156 CG2 ILE A 10 -6.472 16.619 1.825 1.00 0.99 C ATOM 157 CD1 ILE A 10 -6.933 13.489 1.769 1.00 0.77 C ATOM 0 H ILE A 10 -3.824 14.469 3.900 1.00 0.66 H new ATOM 0 HA ILE A 10 -4.678 14.774 1.080 1.00 0.67 H new ATOM 0 HB ILE A 10 -5.558 16.034 3.687 1.00 0.85 H new ATOM 0 HG12 ILE A 10 -6.237 13.781 3.779 1.00 0.88 H new ATOM 0 HG13 ILE A 10 -7.642 14.742 3.363 1.00 0.88 H new ATOM 0 HG21 ILE A 10 -7.418 16.910 2.281 1.00 0.99 H new ATOM 0 HG22 ILE A 10 -5.837 17.498 1.714 1.00 0.99 H new ATOM 0 HG23 ILE A 10 -6.661 16.182 0.844 1.00 0.99 H new ATOM 0 HD11 ILE A 10 -7.583 12.661 2.052 1.00 0.77 H new ATOM 0 HD12 ILE A 10 -7.410 14.072 0.982 1.00 0.77 H new ATOM 0 HD13 ILE A 10 -5.984 13.096 1.405 1.00 0.77 H new ATOM 169 N LYS A 11 -3.521 16.996 0.678 1.00 0.73 N ATOM 170 CA LYS A 11 -2.980 18.333 0.479 1.00 0.82 C ATOM 171 C LYS A 11 -4.137 19.245 0.055 1.00 0.87 C ATOM 172 O LYS A 11 -4.872 18.918 -0.876 1.00 0.93 O ATOM 173 CB LYS A 11 -1.819 18.307 -0.530 1.00 0.94 C ATOM 174 CG LYS A 11 -0.621 17.473 -0.046 1.00 0.96 C ATOM 175 CD LYS A 11 0.207 18.219 1.016 1.00 2.32 C ATOM 176 CE LYS A 11 1.057 17.244 1.843 1.00 3.29 C ATOM 177 NZ LYS A 11 1.754 17.921 2.957 1.00 4.91 N ATOM 0 H LYS A 11 -3.903 16.573 -0.168 1.00 0.73 H new ATOM 0 HA LYS A 11 -2.550 18.727 1.400 1.00 0.82 H new ATOM 0 HB2 LYS A 11 -2.177 17.903 -1.477 1.00 0.94 H new ATOM 0 HB3 LYS A 11 -1.490 19.328 -0.723 1.00 0.94 H new ATOM 0 HG2 LYS A 11 -0.979 16.531 0.369 1.00 0.96 H new ATOM 0 HG3 LYS A 11 0.016 17.226 -0.895 1.00 0.96 H new ATOM 0 HD2 LYS A 11 0.855 18.948 0.530 1.00 2.32 H new ATOM 0 HD3 LYS A 11 -0.459 18.775 1.676 1.00 2.32 H new ATOM 0 HE2 LYS A 11 0.419 16.455 2.241 1.00 3.29 H new ATOM 0 HE3 LYS A 11 1.791 16.764 1.195 1.00 3.29 H new ATOM 0 HZ1 LYS A 11 2.316 17.226 3.489 1.00 4.91 H new ATOM 0 HZ2 LYS A 11 2.383 18.657 2.577 1.00 4.91 H new ATOM 0 HZ3 LYS A 11 1.054 18.357 3.590 1.00 4.91 H new ATOM 191 N GLY A 12 -4.326 20.345 0.798 1.00 1.04 N ATOM 192 CA GLY A 12 -5.362 21.342 0.572 1.00 1.16 C ATOM 193 C GLY A 12 -5.808 21.945 1.906 1.00 1.22 C ATOM 194 O GLY A 12 -5.328 23.009 2.284 1.00 1.40 O ATOM 0 H GLY A 12 -3.736 20.565 1.600 1.00 1.04 H new ATOM 0 HA2 GLY A 12 -4.986 22.127 -0.084 1.00 1.16 H new ATOM 0 HA3 GLY A 12 -6.213 20.886 0.067 1.00 1.16 H new ATOM 198 N MET A 13 -6.691 21.247 2.631 1.00 1.20 N ATOM 199 CA MET A 13 -7.106 21.584 3.995 1.00 1.26 C ATOM 200 C MET A 13 -7.710 22.989 4.108 1.00 1.35 C ATOM 201 O MET A 13 -7.176 23.851 4.799 1.00 1.41 O ATOM 202 CB MET A 13 -5.943 21.392 4.981 1.00 1.54 C ATOM 203 CG MET A 13 -5.539 19.924 5.103 1.00 1.28 C ATOM 204 SD MET A 13 -3.906 19.663 5.826 1.00 2.05 S ATOM 205 CE MET A 13 -3.889 17.863 5.793 1.00 1.60 C ATOM 0 H MET A 13 -7.148 20.409 2.273 1.00 1.20 H new ATOM 0 HA MET A 13 -7.904 20.891 4.261 1.00 1.26 H new ATOM 0 HB2 MET A 13 -5.086 21.979 4.651 1.00 1.54 H new ATOM 0 HB3 MET A 13 -6.231 21.772 5.961 1.00 1.54 H new ATOM 0 HG2 MET A 13 -6.280 19.404 5.710 1.00 1.28 H new ATOM 0 HG3 MET A 13 -5.562 19.469 4.113 1.00 1.28 H new ATOM 0 HE1 MET A 13 -2.877 17.505 5.983 1.00 1.60 H new ATOM 0 HE2 MET A 13 -4.560 17.479 6.561 1.00 1.60 H new ATOM 0 HE3 MET A 13 -4.219 17.514 4.815 1.00 1.60 H new ATOM 215 N THR A 14 -8.874 23.190 3.487 1.00 1.56 N ATOM 216 CA THR A 14 -9.601 24.448 3.472 1.00 1.83 C ATOM 217 C THR A 14 -9.712 25.101 4.855 1.00 1.82 C ATOM 218 O THR A 14 -9.364 26.270 4.998 1.00 2.05 O ATOM 219 CB THR A 14 -10.983 24.191 2.855 1.00 2.08 C ATOM 220 OG1 THR A 14 -10.852 23.182 1.866 1.00 2.39 O ATOM 221 CG2 THR A 14 -11.578 25.463 2.246 1.00 2.57 C ATOM 0 H THR A 14 -9.347 22.453 2.965 1.00 1.56 H new ATOM 0 HA THR A 14 -9.043 25.165 2.870 1.00 1.83 H new ATOM 0 HB THR A 14 -11.666 23.866 3.639 1.00 2.08 H new ATOM 0 HG1 THR A 14 -11.617 23.222 1.255 1.00 2.39 H new ATOM 0 HG21 THR A 14 -12.556 25.239 1.820 1.00 2.57 H new ATOM 0 HG22 THR A 14 -11.685 26.222 3.021 1.00 2.57 H new ATOM 0 HG23 THR A 14 -10.917 25.835 1.463 1.00 2.57 H new ATOM 229 N CYS A 15 -10.232 24.382 5.864 1.00 1.76 N ATOM 230 CA CYS A 15 -10.544 25.019 7.147 1.00 2.13 C ATOM 231 C CYS A 15 -10.836 23.979 8.227 1.00 1.52 C ATOM 232 O CYS A 15 -11.786 24.111 8.992 1.00 1.92 O ATOM 233 CB CYS A 15 -11.708 26.015 6.997 1.00 3.17 C ATOM 234 SG CYS A 15 -13.183 25.193 6.338 1.00 5.50 S ATOM 0 H CYS A 15 -10.440 23.385 5.817 1.00 1.76 H new ATOM 0 HA CYS A 15 -9.665 25.580 7.465 1.00 2.13 H new ATOM 0 HB2 CYS A 15 -11.937 26.461 7.965 1.00 3.17 H new ATOM 0 HB3 CYS A 15 -11.413 26.828 6.334 1.00 3.17 H new ATOM 0 HG CYS A 15 -14.147 26.057 6.225 1.00 5.50 H new ATOM 240 N ALA A 16 -10.005 22.931 8.288 1.00 2.19 N ATOM 241 CA ALA A 16 -10.107 21.854 9.275 1.00 3.46 C ATOM 242 C ALA A 16 -11.530 21.275 9.377 1.00 2.92 C ATOM 243 O ALA A 16 -11.965 20.860 10.447 1.00 3.02 O ATOM 244 CB ALA A 16 -9.570 22.331 10.629 1.00 4.80 C ATOM 0 H ALA A 16 -9.228 22.808 7.639 1.00 2.19 H new ATOM 0 HA ALA A 16 -9.485 21.026 8.935 1.00 3.46 H new ATOM 0 HB1 ALA A 16 -9.650 21.524 11.357 1.00 4.80 H new ATOM 0 HB2 ALA A 16 -8.525 22.623 10.524 1.00 4.80 H new ATOM 0 HB3 ALA A 16 -10.153 23.186 10.971 1.00 4.80 H new ATOM 250 N SER A 17 -12.217 21.216 8.233 1.00 2.45 N ATOM 251 CA SER A 17 -13.623 20.839 8.109 1.00 1.80 C ATOM 252 C SER A 17 -13.895 20.226 6.736 1.00 1.52 C ATOM 253 O SER A 17 -14.565 19.205 6.630 1.00 1.54 O ATOM 254 CB SER A 17 -14.524 22.058 8.339 1.00 2.09 C ATOM 255 OG SER A 17 -14.565 22.372 9.715 1.00 2.46 O ATOM 0 H SER A 17 -11.790 21.439 7.334 1.00 2.45 H new ATOM 0 HA SER A 17 -13.849 20.092 8.870 1.00 1.80 H new ATOM 0 HB2 SER A 17 -14.148 22.911 7.773 1.00 2.09 H new ATOM 0 HB3 SER A 17 -15.530 21.852 7.974 1.00 2.09 H new ATOM 0 HG SER A 17 -15.141 23.153 9.855 1.00 2.46 H new ATOM 261 N CYS A 18 -13.352 20.815 5.667 1.00 1.37 N ATOM 262 CA CYS A 18 -13.543 20.297 4.320 1.00 1.31 C ATOM 263 C CYS A 18 -13.031 18.860 4.237 1.00 1.29 C ATOM 264 O CYS A 18 -13.745 17.966 3.786 1.00 1.27 O ATOM 265 CB CYS A 18 -12.862 21.237 3.328 1.00 1.35 C ATOM 266 SG CYS A 18 -13.173 20.710 1.629 1.00 2.16 S ATOM 0 H CYS A 18 -12.775 21.655 5.715 1.00 1.37 H new ATOM 0 HA CYS A 18 -14.602 20.261 4.063 1.00 1.31 H new ATOM 0 HB2 CYS A 18 -13.230 22.253 3.472 1.00 1.35 H new ATOM 0 HB3 CYS A 18 -11.789 21.257 3.517 1.00 1.35 H new ATOM 0 HG CYS A 18 -12.073 20.252 1.109 1.00 2.16 H new ATOM 272 N VAL A 19 -11.831 18.610 4.780 1.00 1.34 N ATOM 273 CA VAL A 19 -11.320 17.254 4.936 1.00 1.40 C ATOM 274 C VAL A 19 -12.336 16.383 5.666 1.00 1.44 C ATOM 275 O VAL A 19 -12.530 15.234 5.291 1.00 1.52 O ATOM 276 CB VAL A 19 -9.972 17.286 5.664 1.00 1.47 C ATOM 277 CG1 VAL A 19 -9.527 15.877 6.060 1.00 1.96 C ATOM 278 CG2 VAL A 19 -8.897 17.903 4.763 1.00 1.90 C ATOM 0 H VAL A 19 -11.199 19.336 5.117 1.00 1.34 H new ATOM 0 HA VAL A 19 -11.160 16.813 3.952 1.00 1.40 H new ATOM 0 HB VAL A 19 -10.098 17.889 6.563 1.00 1.47 H new ATOM 0 HG11 VAL A 19 -8.568 15.930 6.575 1.00 1.96 H new ATOM 0 HG12 VAL A 19 -10.270 15.433 6.722 1.00 1.96 H new ATOM 0 HG13 VAL A 19 -9.425 15.263 5.165 1.00 1.96 H new ATOM 0 HG21 VAL A 19 -7.944 17.920 5.292 1.00 1.90 H new ATOM 0 HG22 VAL A 19 -8.797 17.308 3.855 1.00 1.90 H new ATOM 0 HG23 VAL A 19 -9.184 18.921 4.500 1.00 1.90 H new ATOM 288 N SER A 20 -13.007 16.929 6.681 1.00 1.43 N ATOM 289 CA SER A 20 -14.006 16.155 7.417 1.00 1.54 C ATOM 290 C SER A 20 -15.128 15.677 6.480 1.00 1.55 C ATOM 291 O SER A 20 -15.552 14.521 6.533 1.00 1.73 O ATOM 292 CB SER A 20 -14.548 16.955 8.612 1.00 1.62 C ATOM 293 OG SER A 20 -15.065 16.087 9.600 1.00 2.29 O ATOM 0 H SER A 20 -12.880 17.887 7.008 1.00 1.43 H new ATOM 0 HA SER A 20 -13.525 15.264 7.821 1.00 1.54 H new ATOM 0 HB2 SER A 20 -13.752 17.566 9.038 1.00 1.62 H new ATOM 0 HB3 SER A 20 -15.329 17.637 8.275 1.00 1.62 H new ATOM 0 HG SER A 20 -15.404 16.614 10.354 1.00 2.29 H new ATOM 299 N ASN A 21 -15.598 16.550 5.580 1.00 1.44 N ATOM 300 CA ASN A 21 -16.632 16.172 4.629 1.00 1.43 C ATOM 301 C ASN A 21 -16.084 15.122 3.666 1.00 1.48 C ATOM 302 O ASN A 21 -16.728 14.101 3.414 1.00 1.54 O ATOM 303 CB ASN A 21 -17.154 17.401 3.879 1.00 1.43 C ATOM 304 CG ASN A 21 -17.967 16.958 2.669 1.00 1.58 C ATOM 305 OD1 ASN A 21 -19.114 16.543 2.790 1.00 2.63 O ATOM 306 ND2 ASN A 21 -17.353 16.986 1.492 1.00 1.53 N ATOM 0 H ASN A 21 -15.277 17.514 5.496 1.00 1.44 H new ATOM 0 HA ASN A 21 -17.474 15.739 5.169 1.00 1.43 H new ATOM 0 HB2 ASN A 21 -17.771 18.008 4.541 1.00 1.43 H new ATOM 0 HB3 ASN A 21 -16.320 18.025 3.560 1.00 1.43 H new ATOM 0 HD21 ASN A 21 -17.837 16.656 0.657 1.00 1.53 H new ATOM 0 HD22 ASN A 21 -16.398 17.337 1.423 1.00 1.53 H new ATOM 313 N ILE A 22 -14.894 15.365 3.117 1.00 1.51 N ATOM 314 CA ILE A 22 -14.245 14.404 2.240 1.00 1.61 C ATOM 315 C ILE A 22 -14.150 13.030 2.926 1.00 1.70 C ATOM 316 O ILE A 22 -14.531 12.028 2.332 1.00 1.68 O ATOM 317 CB ILE A 22 -12.902 14.973 1.734 1.00 1.81 C ATOM 318 CG1 ILE A 22 -13.111 15.911 0.528 1.00 1.91 C ATOM 319 CG2 ILE A 22 -11.968 13.851 1.269 1.00 2.16 C ATOM 320 CD1 ILE A 22 -13.496 17.342 0.885 1.00 2.25 C ATOM 0 H ILE A 22 -14.363 16.223 3.268 1.00 1.51 H new ATOM 0 HA ILE A 22 -14.846 14.235 1.347 1.00 1.61 H new ATOM 0 HB ILE A 22 -12.465 15.517 2.571 1.00 1.81 H new ATOM 0 HG12 ILE A 22 -12.193 15.933 -0.059 1.00 1.91 H new ATOM 0 HG13 ILE A 22 -13.888 15.490 -0.110 1.00 1.91 H new ATOM 0 HG21 ILE A 22 -11.030 14.281 0.918 1.00 2.16 H new ATOM 0 HG22 ILE A 22 -11.769 13.175 2.101 1.00 2.16 H new ATOM 0 HG23 ILE A 22 -12.440 13.298 0.457 1.00 2.16 H new ATOM 0 HD11 ILE A 22 -13.621 17.924 -0.028 1.00 2.25 H new ATOM 0 HD12 ILE A 22 -14.432 17.338 1.444 1.00 2.25 H new ATOM 0 HD13 ILE A 22 -12.711 17.788 1.495 1.00 2.25 H new ATOM 332 N GLU A 23 -13.712 12.972 4.183 1.00 1.84 N ATOM 333 CA GLU A 23 -13.628 11.746 4.968 1.00 2.02 C ATOM 334 C GLU A 23 -14.986 11.035 5.091 1.00 1.75 C ATOM 335 O GLU A 23 -15.070 9.807 4.989 1.00 1.62 O ATOM 336 CB GLU A 23 -13.039 12.078 6.342 1.00 2.41 C ATOM 337 CG GLU A 23 -11.520 12.294 6.269 1.00 3.76 C ATOM 338 CD GLU A 23 -10.751 10.981 6.173 1.00 5.35 C ATOM 339 OE1 GLU A 23 -10.892 10.172 7.116 1.00 5.42 O ATOM 340 OE2 GLU A 23 -10.030 10.818 5.167 1.00 6.96 O ATOM 0 H GLU A 23 -13.399 13.797 4.694 1.00 1.84 H new ATOM 0 HA GLU A 23 -12.973 11.045 4.451 1.00 2.02 H new ATOM 0 HB2 GLU A 23 -13.516 12.975 6.736 1.00 2.41 H new ATOM 0 HB3 GLU A 23 -13.259 11.268 7.038 1.00 2.41 H new ATOM 0 HG2 GLU A 23 -11.285 12.914 5.404 1.00 3.76 H new ATOM 0 HG3 GLU A 23 -11.191 12.841 7.152 1.00 3.76 H new ATOM 347 N ARG A 24 -16.070 11.789 5.299 1.00 1.70 N ATOM 348 CA ARG A 24 -17.411 11.245 5.337 1.00 1.63 C ATOM 349 C ARG A 24 -17.719 10.627 3.972 1.00 1.55 C ATOM 350 O ARG A 24 -18.236 9.513 3.887 1.00 1.72 O ATOM 351 CB ARG A 24 -18.371 12.364 5.772 1.00 1.75 C ATOM 352 CG ARG A 24 -19.848 12.105 5.453 1.00 2.63 C ATOM 353 CD ARG A 24 -20.767 12.059 6.680 1.00 2.43 C ATOM 354 NE ARG A 24 -20.834 10.711 7.273 1.00 3.50 N ATOM 355 CZ ARG A 24 -21.719 10.348 8.218 1.00 4.07 C ATOM 356 NH1 ARG A 24 -22.466 11.284 8.816 1.00 3.84 N ATOM 357 NH2 ARG A 24 -21.870 9.061 8.548 1.00 5.57 N ATOM 0 H ARG A 24 -16.031 12.798 5.445 1.00 1.70 H new ATOM 0 HA ARG A 24 -17.526 10.443 6.066 1.00 1.63 H new ATOM 0 HB2 ARG A 24 -18.267 12.515 6.846 1.00 1.75 H new ATOM 0 HB3 ARG A 24 -18.067 13.292 5.289 1.00 1.75 H new ATOM 0 HG2 ARG A 24 -20.203 12.884 4.779 1.00 2.63 H new ATOM 0 HG3 ARG A 24 -19.930 11.159 4.918 1.00 2.63 H new ATOM 0 HD2 ARG A 24 -20.408 12.766 7.428 1.00 2.43 H new ATOM 0 HD3 ARG A 24 -21.769 12.379 6.394 1.00 2.43 H new ATOM 0 HE ARG A 24 -20.168 10.011 6.946 1.00 3.50 H new ATOM 0 HH11 ARG A 24 -22.362 12.264 8.554 1.00 3.84 H new ATOM 0 HH12 ARG A 24 -23.140 11.017 9.534 1.00 3.84 H new ATOM 0 HH21 ARG A 24 -21.312 8.346 8.082 1.00 5.57 H new ATOM 0 HH22 ARG A 24 -22.544 8.794 9.266 1.00 5.57 H new ATOM 371 N ASN A 25 -17.411 11.352 2.899 1.00 1.39 N ATOM 372 CA ASN A 25 -17.592 10.832 1.553 1.00 1.36 C ATOM 373 C ASN A 25 -16.793 9.539 1.364 1.00 1.42 C ATOM 374 O ASN A 25 -17.349 8.561 0.877 1.00 1.52 O ATOM 375 CB ASN A 25 -17.285 11.901 0.500 1.00 1.35 C ATOM 376 CG ASN A 25 -18.444 12.885 0.378 1.00 1.38 C ATOM 377 OD1 ASN A 25 -19.339 12.699 -0.439 1.00 1.59 O ATOM 378 ND2 ASN A 25 -18.472 13.915 1.219 1.00 1.48 N ATOM 0 H ASN A 25 -17.036 12.300 2.939 1.00 1.39 H new ATOM 0 HA ASN A 25 -18.641 10.570 1.411 1.00 1.36 H new ATOM 0 HB2 ASN A 25 -16.375 12.435 0.772 1.00 1.35 H new ATOM 0 HB3 ASN A 25 -17.101 11.427 -0.464 1.00 1.35 H new ATOM 0 HD21 ASN A 25 -19.251 14.573 1.194 1.00 1.48 H new ATOM 0 HD22 ASN A 25 -17.714 14.047 1.889 1.00 1.48 H new ATOM 385 N LEU A 26 -15.533 9.500 1.807 1.00 1.38 N ATOM 386 CA LEU A 26 -14.721 8.287 1.823 1.00 1.42 C ATOM 387 C LEU A 26 -15.442 7.146 2.519 1.00 1.43 C ATOM 388 O LEU A 26 -15.642 6.113 1.899 1.00 1.41 O ATOM 389 CB LEU A 26 -13.379 8.518 2.520 1.00 1.31 C ATOM 390 CG LEU A 26 -12.222 8.763 1.544 1.00 1.52 C ATOM 391 CD1 LEU A 26 -11.597 10.094 1.927 1.00 2.11 C ATOM 392 CD2 LEU A 26 -11.177 7.654 1.658 1.00 2.60 C ATOM 0 H LEU A 26 -15.046 10.320 2.168 1.00 1.38 H new ATOM 0 HA LEU A 26 -14.544 8.021 0.781 1.00 1.42 H new ATOM 0 HB2 LEU A 26 -13.468 9.374 3.189 1.00 1.31 H new ATOM 0 HB3 LEU A 26 -13.145 7.652 3.139 1.00 1.31 H new ATOM 0 HG LEU A 26 -12.585 8.773 0.516 1.00 1.52 H new ATOM 0 HD11 LEU A 26 -10.765 10.312 1.257 1.00 2.11 H new ATOM 0 HD12 LEU A 26 -12.344 10.883 1.846 1.00 2.11 H new ATOM 0 HD13 LEU A 26 -11.233 10.043 2.953 1.00 2.11 H new ATOM 0 HD21 LEU A 26 -10.364 7.846 0.957 1.00 2.60 H new ATOM 0 HD22 LEU A 26 -10.782 7.629 2.674 1.00 2.60 H new ATOM 0 HD23 LEU A 26 -11.638 6.694 1.424 1.00 2.60 H new ATOM 404 N GLN A 27 -15.836 7.285 3.790 1.00 1.52 N ATOM 405 CA GLN A 27 -16.446 6.148 4.471 1.00 1.72 C ATOM 406 C GLN A 27 -17.780 5.725 3.848 1.00 1.52 C ATOM 407 O GLN A 27 -18.256 4.616 4.056 1.00 1.60 O ATOM 408 CB GLN A 27 -16.512 6.343 5.972 1.00 2.19 C ATOM 409 CG GLN A 27 -17.609 7.283 6.472 1.00 1.58 C ATOM 410 CD GLN A 27 -17.107 8.186 7.577 1.00 1.77 C ATOM 411 OE1 GLN A 27 -15.947 8.787 7.363 1.00 2.32 O flip ATOM 412 NE2 GLN A 27 -17.753 8.335 8.611 1.00 1.73 N flip ATOM 0 H GLN A 27 -15.748 8.136 4.345 1.00 1.52 H new ATOM 0 HA GLN A 27 -15.780 5.300 4.314 1.00 1.72 H new ATOM 0 HB2 GLN A 27 -16.653 5.369 6.440 1.00 2.19 H new ATOM 0 HB3 GLN A 27 -15.549 6.724 6.313 1.00 2.19 H new ATOM 0 HG2 GLN A 27 -17.975 7.890 5.644 1.00 1.58 H new ATOM 0 HG3 GLN A 27 -18.453 6.697 6.835 1.00 1.58 H new ATOM 0 HE21 GLN A 27 -18.643 7.851 8.731 1.00 1.73 H new ATOM 0 HE22 GLN A 27 -17.400 8.943 9.350 1.00 1.73 H new ATOM 421 N LYS A 28 -18.396 6.635 3.096 1.00 1.33 N ATOM 422 CA LYS A 28 -19.539 6.324 2.244 1.00 1.26 C ATOM 423 C LYS A 28 -19.176 5.908 0.806 1.00 1.18 C ATOM 424 O LYS A 28 -20.101 5.601 0.057 1.00 1.32 O ATOM 425 CB LYS A 28 -20.563 7.468 2.274 1.00 1.43 C ATOM 426 CG LYS A 28 -21.120 7.643 3.693 1.00 1.37 C ATOM 427 CD LYS A 28 -22.439 8.428 3.741 1.00 1.73 C ATOM 428 CE LYS A 28 -22.322 9.849 3.167 1.00 3.37 C ATOM 429 NZ LYS A 28 -22.556 9.901 1.708 1.00 4.56 N ATOM 0 H LYS A 28 -18.113 7.614 3.061 1.00 1.33 H new ATOM 0 HA LYS A 28 -19.996 5.432 2.672 1.00 1.26 H new ATOM 0 HB2 LYS A 28 -20.094 8.394 1.943 1.00 1.43 H new ATOM 0 HB3 LYS A 28 -21.376 7.256 1.580 1.00 1.43 H new ATOM 0 HG2 LYS A 28 -21.275 6.660 4.138 1.00 1.37 H new ATOM 0 HG3 LYS A 28 -20.378 8.156 4.305 1.00 1.37 H new ATOM 0 HD2 LYS A 28 -23.200 7.881 3.185 1.00 1.73 H new ATOM 0 HD3 LYS A 28 -22.781 8.488 4.774 1.00 1.73 H new ATOM 0 HE2 LYS A 28 -23.040 10.498 3.668 1.00 3.37 H new ATOM 0 HE3 LYS A 28 -21.329 10.243 3.385 1.00 3.37 H new ATOM 0 HZ1 LYS A 28 -22.883 10.852 1.442 1.00 4.56 H new ATOM 0 HZ2 LYS A 28 -21.671 9.686 1.207 1.00 4.56 H new ATOM 0 HZ3 LYS A 28 -23.280 9.201 1.447 1.00 4.56 H new ATOM 443 N GLU A 29 -17.897 5.867 0.404 1.00 1.12 N ATOM 444 CA GLU A 29 -17.488 5.342 -0.899 1.00 1.11 C ATOM 445 C GLU A 29 -18.048 3.926 -1.124 1.00 1.08 C ATOM 446 O GLU A 29 -18.947 3.743 -1.941 1.00 1.14 O ATOM 447 CB GLU A 29 -15.956 5.396 -1.019 1.00 1.22 C ATOM 448 CG GLU A 29 -15.445 5.070 -2.430 1.00 1.60 C ATOM 449 CD GLU A 29 -13.925 4.950 -2.473 1.00 2.07 C ATOM 450 OE1 GLU A 29 -13.285 5.457 -1.526 1.00 2.68 O ATOM 451 OE2 GLU A 29 -13.432 4.325 -3.435 1.00 3.09 O ATOM 0 H GLU A 29 -17.120 6.198 0.976 1.00 1.12 H new ATOM 0 HA GLU A 29 -17.906 5.966 -1.689 1.00 1.11 H new ATOM 0 HB2 GLU A 29 -15.611 6.391 -0.736 1.00 1.22 H new ATOM 0 HB3 GLU A 29 -15.518 4.693 -0.310 1.00 1.22 H new ATOM 0 HG2 GLU A 29 -15.892 4.136 -2.771 1.00 1.60 H new ATOM 0 HG3 GLU A 29 -15.767 5.849 -3.121 1.00 1.60 H new ATOM 458 N ALA A 30 -17.527 2.928 -0.396 1.00 1.09 N ATOM 459 CA ALA A 30 -18.031 1.555 -0.395 1.00 1.19 C ATOM 460 C ALA A 30 -17.273 0.702 0.626 1.00 1.24 C ATOM 461 O ALA A 30 -17.755 0.478 1.731 1.00 1.37 O ATOM 462 CB ALA A 30 -17.971 0.926 -1.797 1.00 1.36 C ATOM 0 H ALA A 30 -16.726 3.060 0.221 1.00 1.09 H new ATOM 0 HA ALA A 30 -19.080 1.588 -0.102 1.00 1.19 H new ATOM 0 HB1 ALA A 30 -18.354 -0.094 -1.755 1.00 1.36 H new ATOM 0 HB2 ALA A 30 -18.578 1.514 -2.486 1.00 1.36 H new ATOM 0 HB3 ALA A 30 -16.938 0.912 -2.145 1.00 1.36 H new ATOM 468 N GLY A 31 -16.085 0.210 0.256 1.00 1.36 N ATOM 469 CA GLY A 31 -15.289 -0.671 1.106 1.00 1.60 C ATOM 470 C GLY A 31 -14.765 0.054 2.346 1.00 1.41 C ATOM 471 O GLY A 31 -14.521 -0.564 3.379 1.00 1.50 O ATOM 0 H GLY A 31 -15.651 0.414 -0.644 1.00 1.36 H new ATOM 0 HA2 GLY A 31 -15.895 -1.524 1.413 1.00 1.60 H new ATOM 0 HA3 GLY A 31 -14.449 -1.066 0.534 1.00 1.60 H new ATOM 475 N VAL A 32 -14.559 1.366 2.226 1.00 1.29 N ATOM 476 CA VAL A 32 -14.074 2.218 3.298 1.00 1.23 C ATOM 477 C VAL A 32 -15.052 2.204 4.468 1.00 1.11 C ATOM 478 O VAL A 32 -16.175 2.677 4.338 1.00 1.10 O ATOM 479 CB VAL A 32 -13.834 3.637 2.780 1.00 1.25 C ATOM 480 CG1 VAL A 32 -13.053 4.439 3.828 1.00 2.89 C ATOM 481 CG2 VAL A 32 -13.059 3.679 1.456 1.00 1.91 C ATOM 0 H VAL A 32 -14.731 1.872 1.357 1.00 1.29 H new ATOM 0 HA VAL A 32 -13.121 1.831 3.658 1.00 1.23 H new ATOM 0 HB VAL A 32 -14.818 4.070 2.597 1.00 1.25 H new ATOM 0 HG11 VAL A 32 -12.882 5.450 3.459 1.00 2.89 H new ATOM 0 HG12 VAL A 32 -13.626 4.483 4.754 1.00 2.89 H new ATOM 0 HG13 VAL A 32 -12.095 3.955 4.017 1.00 2.89 H new ATOM 0 HG21 VAL A 32 -12.924 4.715 1.146 1.00 1.91 H new ATOM 0 HG22 VAL A 32 -12.084 3.210 1.590 1.00 1.91 H new ATOM 0 HG23 VAL A 32 -13.618 3.141 0.690 1.00 1.91 H new ATOM 491 N LEU A 33 -14.620 1.701 5.623 1.00 1.19 N ATOM 492 CA LEU A 33 -15.385 1.722 6.846 1.00 1.19 C ATOM 493 C LEU A 33 -14.403 2.050 7.980 1.00 1.23 C ATOM 494 O LEU A 33 -14.318 1.360 8.991 1.00 1.40 O ATOM 495 CB LEU A 33 -16.113 0.364 6.930 1.00 1.38 C ATOM 496 CG LEU A 33 -16.757 0.050 8.286 1.00 2.13 C ATOM 497 CD1 LEU A 33 -18.248 -0.277 8.153 1.00 2.58 C ATOM 498 CD2 LEU A 33 -16.046 -1.141 8.948 1.00 3.36 C ATOM 0 H LEU A 33 -13.706 1.260 5.726 1.00 1.19 H new ATOM 0 HA LEU A 33 -16.164 2.482 6.907 1.00 1.19 H new ATOM 0 HB2 LEU A 33 -16.887 0.337 6.163 1.00 1.38 H new ATOM 0 HB3 LEU A 33 -15.401 -0.427 6.692 1.00 1.38 H new ATOM 0 HG LEU A 33 -16.654 0.943 8.902 1.00 2.13 H new ATOM 0 HD11 LEU A 33 -18.662 -0.493 9.138 1.00 2.58 H new ATOM 0 HD12 LEU A 33 -18.770 0.575 7.718 1.00 2.58 H new ATOM 0 HD13 LEU A 33 -18.374 -1.147 7.508 1.00 2.58 H new ATOM 0 HD21 LEU A 33 -16.512 -1.354 9.910 1.00 3.36 H new ATOM 0 HD22 LEU A 33 -16.126 -2.017 8.304 1.00 3.36 H new ATOM 0 HD23 LEU A 33 -14.994 -0.898 9.100 1.00 3.36 H new ATOM 510 N SER A 34 -13.674 3.162 7.845 1.00 1.14 N ATOM 511 CA SER A 34 -13.123 3.867 8.996 1.00 1.18 C ATOM 512 C SER A 34 -12.774 5.297 8.624 1.00 1.22 C ATOM 513 O SER A 34 -12.608 5.611 7.449 1.00 1.32 O ATOM 514 CB SER A 34 -11.900 3.135 9.572 1.00 1.43 C ATOM 515 OG SER A 34 -11.481 3.640 10.828 1.00 2.20 O ATOM 0 H SER A 34 -13.454 3.591 6.946 1.00 1.14 H new ATOM 0 HA SER A 34 -13.886 3.888 9.774 1.00 1.18 H new ATOM 0 HB2 SER A 34 -12.135 2.076 9.675 1.00 1.43 H new ATOM 0 HB3 SER A 34 -11.074 3.211 8.865 1.00 1.43 H new ATOM 0 HG SER A 34 -11.074 2.918 11.352 1.00 2.20 H new ATOM 521 N VAL A 35 -12.637 6.116 9.662 1.00 1.26 N ATOM 522 CA VAL A 35 -12.163 7.486 9.643 1.00 1.44 C ATOM 523 C VAL A 35 -11.029 7.573 10.656 1.00 1.27 C ATOM 524 O VAL A 35 -11.281 7.462 11.855 1.00 1.42 O ATOM 525 CB VAL A 35 -13.313 8.440 10.035 1.00 1.88 C ATOM 526 CG1 VAL A 35 -13.264 9.650 9.106 1.00 2.14 C ATOM 527 CG2 VAL A 35 -14.695 7.770 10.005 1.00 2.84 C ATOM 0 H VAL A 35 -12.873 5.812 10.606 1.00 1.26 H new ATOM 0 HA VAL A 35 -11.815 7.774 8.651 1.00 1.44 H new ATOM 0 HB VAL A 35 -13.168 8.747 11.071 1.00 1.88 H new ATOM 0 HG11 VAL A 35 -14.068 10.339 9.364 1.00 2.14 H new ATOM 0 HG12 VAL A 35 -12.304 10.155 9.216 1.00 2.14 H new ATOM 0 HG13 VAL A 35 -13.385 9.321 8.074 1.00 2.14 H new ATOM 0 HG21 VAL A 35 -15.457 8.495 10.290 1.00 2.84 H new ATOM 0 HG22 VAL A 35 -14.900 7.405 8.999 1.00 2.84 H new ATOM 0 HG23 VAL A 35 -14.709 6.934 10.704 1.00 2.84 H new ATOM 537 N LEU A 36 -9.787 7.725 10.198 1.00 1.15 N ATOM 538 CA LEU A 36 -8.657 7.952 11.089 1.00 1.07 C ATOM 539 C LEU A 36 -7.798 9.071 10.493 1.00 1.04 C ATOM 540 O LEU A 36 -6.627 8.891 10.159 1.00 1.11 O ATOM 541 CB LEU A 36 -7.938 6.614 11.349 1.00 1.06 C ATOM 542 CG LEU A 36 -7.163 6.542 12.677 1.00 1.47 C ATOM 543 CD1 LEU A 36 -6.643 5.112 12.866 1.00 1.67 C ATOM 544 CD2 LEU A 36 -5.980 7.514 12.758 1.00 2.41 C ATOM 0 H LEU A 36 -9.540 7.694 9.209 1.00 1.15 H new ATOM 0 HA LEU A 36 -8.956 8.301 12.078 1.00 1.07 H new ATOM 0 HB2 LEU A 36 -8.676 5.812 11.332 1.00 1.06 H new ATOM 0 HB3 LEU A 36 -7.244 6.426 10.530 1.00 1.06 H new ATOM 0 HG LEU A 36 -7.859 6.831 13.464 1.00 1.47 H new ATOM 0 HD11 LEU A 36 -6.091 5.046 13.804 1.00 1.67 H new ATOM 0 HD12 LEU A 36 -7.484 4.419 12.891 1.00 1.67 H new ATOM 0 HD13 LEU A 36 -5.983 4.852 12.038 1.00 1.67 H new ATOM 0 HD21 LEU A 36 -5.484 7.404 13.722 1.00 2.41 H new ATOM 0 HD22 LEU A 36 -5.272 7.293 11.959 1.00 2.41 H new ATOM 0 HD23 LEU A 36 -6.341 8.537 12.650 1.00 2.41 H new ATOM 556 N VAL A 37 -8.389 10.265 10.387 1.00 0.98 N ATOM 557 CA VAL A 37 -7.676 11.459 9.963 1.00 0.99 C ATOM 558 C VAL A 37 -7.239 12.218 11.209 1.00 1.07 C ATOM 559 O VAL A 37 -7.922 12.192 12.232 1.00 1.18 O ATOM 560 CB VAL A 37 -8.546 12.331 9.034 1.00 0.98 C ATOM 561 CG1 VAL A 37 -9.618 13.100 9.809 1.00 2.59 C ATOM 562 CG2 VAL A 37 -7.757 13.389 8.253 1.00 1.99 C ATOM 0 H VAL A 37 -9.375 10.424 10.594 1.00 0.98 H new ATOM 0 HA VAL A 37 -6.797 11.181 9.381 1.00 0.99 H new ATOM 0 HB VAL A 37 -8.981 11.608 8.344 1.00 0.98 H new ATOM 0 HG11 VAL A 37 -10.207 13.701 9.116 1.00 2.59 H new ATOM 0 HG12 VAL A 37 -10.271 12.395 10.324 1.00 2.59 H new ATOM 0 HG13 VAL A 37 -9.141 13.753 10.540 1.00 2.59 H new ATOM 0 HG21 VAL A 37 -8.439 13.960 7.623 1.00 1.99 H new ATOM 0 HG22 VAL A 37 -7.259 14.061 8.952 1.00 1.99 H new ATOM 0 HG23 VAL A 37 -7.011 12.898 7.628 1.00 1.99 H new ATOM 572 N ALA A 38 -6.112 12.918 11.114 1.00 1.15 N ATOM 573 CA ALA A 38 -5.708 13.905 12.095 1.00 1.25 C ATOM 574 C ALA A 38 -5.462 15.204 11.347 1.00 1.22 C ATOM 575 O ALA A 38 -4.396 15.372 10.765 1.00 1.25 O ATOM 576 CB ALA A 38 -4.453 13.434 12.831 1.00 1.37 C ATOM 0 H ALA A 38 -5.451 12.811 10.344 1.00 1.15 H new ATOM 0 HA ALA A 38 -6.480 14.052 12.850 1.00 1.25 H new ATOM 0 HB1 ALA A 38 -4.159 14.184 13.565 1.00 1.37 H new ATOM 0 HB2 ALA A 38 -4.661 12.492 13.338 1.00 1.37 H new ATOM 0 HB3 ALA A 38 -3.644 13.291 12.115 1.00 1.37 H new ATOM 582 N LEU A 39 -6.427 16.125 11.376 1.00 1.20 N ATOM 583 CA LEU A 39 -6.283 17.456 10.790 1.00 1.20 C ATOM 584 C LEU A 39 -5.200 18.285 11.495 1.00 1.37 C ATOM 585 O LEU A 39 -4.749 19.288 10.952 1.00 1.52 O ATOM 586 CB LEU A 39 -7.649 18.163 10.797 1.00 1.21 C ATOM 587 CG LEU A 39 -8.489 17.692 9.605 1.00 1.98 C ATOM 588 CD1 LEU A 39 -9.971 17.974 9.864 1.00 2.89 C ATOM 589 CD2 LEU A 39 -7.992 18.404 8.335 1.00 2.67 C ATOM 0 H LEU A 39 -7.336 15.966 11.810 1.00 1.20 H new ATOM 0 HA LEU A 39 -5.947 17.350 9.758 1.00 1.20 H new ATOM 0 HB2 LEU A 39 -8.173 17.950 11.729 1.00 1.21 H new ATOM 0 HB3 LEU A 39 -7.509 19.243 10.750 1.00 1.21 H new ATOM 0 HG LEU A 39 -8.380 16.616 9.468 1.00 1.98 H new ATOM 0 HD11 LEU A 39 -10.560 17.636 9.012 1.00 2.89 H new ATOM 0 HD12 LEU A 39 -10.291 17.443 10.760 1.00 2.89 H new ATOM 0 HD13 LEU A 39 -10.118 19.045 10.005 1.00 2.89 H new ATOM 0 HD21 LEU A 39 -8.583 18.077 7.479 1.00 2.67 H new ATOM 0 HD22 LEU A 39 -8.097 19.482 8.457 1.00 2.67 H new ATOM 0 HD23 LEU A 39 -6.943 18.159 8.167 1.00 2.67 H new ATOM 601 N MET A 40 -4.769 17.862 12.688 1.00 1.39 N ATOM 602 CA MET A 40 -3.701 18.513 13.435 1.00 1.51 C ATOM 603 C MET A 40 -2.347 18.243 12.775 1.00 1.49 C ATOM 604 O MET A 40 -1.587 19.167 12.500 1.00 1.56 O ATOM 605 CB MET A 40 -3.731 18.012 14.889 1.00 1.63 C ATOM 606 CG MET A 40 -4.890 18.669 15.649 1.00 2.37 C ATOM 607 SD MET A 40 -4.619 20.421 16.029 1.00 4.10 S ATOM 608 CE MET A 40 -6.314 20.951 16.349 1.00 5.11 C ATOM 0 H MET A 40 -5.160 17.048 13.163 1.00 1.39 H new ATOM 0 HA MET A 40 -3.851 19.593 13.434 1.00 1.51 H new ATOM 0 HB2 MET A 40 -3.843 16.928 14.906 1.00 1.63 H new ATOM 0 HB3 MET A 40 -2.786 18.243 15.381 1.00 1.63 H new ATOM 0 HG2 MET A 40 -5.801 18.572 15.058 1.00 2.37 H new ATOM 0 HG3 MET A 40 -5.055 18.127 16.580 1.00 2.37 H new ATOM 0 HE1 MET A 40 -6.322 22.012 16.599 1.00 5.11 H new ATOM 0 HE2 MET A 40 -6.922 20.783 15.460 1.00 5.11 H new ATOM 0 HE3 MET A 40 -6.723 20.379 17.182 1.00 5.11 H new ATOM 618 N ALA A 41 -2.041 16.965 12.539 1.00 1.44 N ATOM 619 CA ALA A 41 -0.772 16.548 11.948 1.00 1.45 C ATOM 620 C ALA A 41 -0.834 16.606 10.421 1.00 1.39 C ATOM 621 O ALA A 41 0.166 16.878 9.762 1.00 1.50 O ATOM 622 CB ALA A 41 -0.435 15.133 12.422 1.00 1.46 C ATOM 0 H ALA A 41 -2.669 16.190 12.754 1.00 1.44 H new ATOM 0 HA ALA A 41 0.012 17.233 12.271 1.00 1.45 H new ATOM 0 HB1 ALA A 41 0.512 14.818 11.983 1.00 1.46 H new ATOM 0 HB2 ALA A 41 -0.352 15.123 13.509 1.00 1.46 H new ATOM 0 HB3 ALA A 41 -1.224 14.448 12.112 1.00 1.46 H new ATOM 628 N GLY A 42 -2.009 16.313 9.866 1.00 1.23 N ATOM 629 CA GLY A 42 -2.270 16.278 8.443 1.00 1.17 C ATOM 630 C GLY A 42 -2.008 14.887 7.876 1.00 1.13 C ATOM 631 O GLY A 42 -1.142 14.732 7.018 1.00 1.15 O ATOM 0 H GLY A 42 -2.832 16.086 10.424 1.00 1.23 H new ATOM 0 HA2 GLY A 42 -3.304 16.564 8.252 1.00 1.17 H new ATOM 0 HA3 GLY A 42 -1.638 17.007 7.935 1.00 1.17 H new ATOM 635 N LYS A 43 -2.761 13.875 8.326 1.00 1.11 N ATOM 636 CA LYS A 43 -2.701 12.541 7.760 1.00 1.09 C ATOM 637 C LYS A 43 -4.127 12.020 7.706 1.00 1.05 C ATOM 638 O LYS A 43 -4.848 12.235 8.679 1.00 1.07 O ATOM 639 CB LYS A 43 -1.821 11.631 8.624 1.00 1.16 C ATOM 640 CG LYS A 43 -1.886 11.856 10.142 1.00 1.29 C ATOM 641 CD LYS A 43 -1.187 10.681 10.852 1.00 1.52 C ATOM 642 CE LYS A 43 -0.651 11.017 12.251 1.00 2.27 C ATOM 643 NZ LYS A 43 -1.720 11.306 13.228 1.00 3.68 N ATOM 0 H LYS A 43 -3.426 13.969 9.094 1.00 1.11 H new ATOM 0 HA LYS A 43 -2.260 12.559 6.763 1.00 1.09 H new ATOM 0 HB2 LYS A 43 -2.097 10.596 8.420 1.00 1.16 H new ATOM 0 HB3 LYS A 43 -0.786 11.754 8.305 1.00 1.16 H new ATOM 0 HG2 LYS A 43 -1.402 12.797 10.405 1.00 1.29 H new ATOM 0 HG3 LYS A 43 -2.924 11.930 10.468 1.00 1.29 H new ATOM 0 HD2 LYS A 43 -1.890 9.852 10.934 1.00 1.52 H new ATOM 0 HD3 LYS A 43 -0.359 10.337 10.231 1.00 1.52 H new ATOM 0 HE2 LYS A 43 -0.052 10.182 12.614 1.00 2.27 H new ATOM 0 HE3 LYS A 43 0.012 11.879 12.182 1.00 2.27 H new ATOM 0 HZ1 LYS A 43 -1.369 11.126 14.190 1.00 3.68 H new ATOM 0 HZ2 LYS A 43 -2.006 12.302 13.145 1.00 3.68 H new ATOM 0 HZ3 LYS A 43 -2.539 10.693 13.038 1.00 3.68 H new ATOM 657 N ALA A 44 -4.515 11.373 6.600 1.00 1.02 N ATOM 658 CA ALA A 44 -5.799 10.702 6.429 1.00 1.05 C ATOM 659 C ALA A 44 -5.586 9.192 6.343 1.00 1.10 C ATOM 660 O ALA A 44 -5.306 8.658 5.270 1.00 1.11 O ATOM 661 CB ALA A 44 -6.501 11.252 5.185 1.00 0.99 C ATOM 0 H ALA A 44 -3.920 11.303 5.775 1.00 1.02 H new ATOM 0 HA ALA A 44 -6.440 10.896 7.289 1.00 1.05 H new ATOM 0 HB1 ALA A 44 -7.460 10.751 5.057 1.00 0.99 H new ATOM 0 HB2 ALA A 44 -6.664 12.323 5.303 1.00 0.99 H new ATOM 0 HB3 ALA A 44 -5.879 11.074 4.308 1.00 0.99 H new ATOM 667 N GLU A 45 -5.744 8.491 7.469 1.00 1.16 N ATOM 668 CA GLU A 45 -5.771 7.044 7.455 1.00 1.23 C ATOM 669 C GLU A 45 -7.248 6.664 7.486 1.00 1.25 C ATOM 670 O GLU A 45 -8.041 7.268 8.204 1.00 1.28 O ATOM 671 CB GLU A 45 -4.956 6.470 8.622 1.00 1.37 C ATOM 672 CG GLU A 45 -4.856 4.936 8.559 1.00 2.02 C ATOM 673 CD GLU A 45 -4.306 4.330 9.845 1.00 2.58 C ATOM 674 OE1 GLU A 45 -3.658 5.082 10.606 1.00 3.06 O ATOM 675 OE2 GLU A 45 -4.577 3.128 10.058 1.00 3.64 O ATOM 0 H GLU A 45 -5.854 8.909 8.393 1.00 1.16 H new ATOM 0 HA GLU A 45 -5.301 6.621 6.567 1.00 1.23 H new ATOM 0 HB2 GLU A 45 -3.954 6.899 8.609 1.00 1.37 H new ATOM 0 HB3 GLU A 45 -5.417 6.764 9.565 1.00 1.37 H new ATOM 0 HG2 GLU A 45 -5.843 4.519 8.359 1.00 2.02 H new ATOM 0 HG3 GLU A 45 -4.215 4.652 7.725 1.00 2.02 H new ATOM 682 N ILE A 46 -7.643 5.695 6.676 1.00 1.26 N ATOM 683 CA ILE A 46 -8.957 5.100 6.689 1.00 1.29 C ATOM 684 C ILE A 46 -8.746 3.606 6.474 1.00 1.31 C ATOM 685 O ILE A 46 -7.605 3.168 6.310 1.00 1.41 O ATOM 686 CB ILE A 46 -9.856 5.733 5.619 1.00 1.34 C ATOM 687 CG1 ILE A 46 -9.427 5.485 4.172 1.00 1.37 C ATOM 688 CG2 ILE A 46 -10.121 7.216 5.863 1.00 2.11 C ATOM 689 CD1 ILE A 46 -8.238 6.297 3.639 1.00 1.89 C ATOM 0 H ILE A 46 -7.030 5.291 5.968 1.00 1.26 H new ATOM 0 HA ILE A 46 -9.473 5.273 7.633 1.00 1.29 H new ATOM 0 HB ILE A 46 -10.796 5.194 5.739 1.00 1.34 H new ATOM 0 HG12 ILE A 46 -9.186 4.427 4.069 1.00 1.37 H new ATOM 0 HG13 ILE A 46 -10.284 5.681 3.528 1.00 1.37 H new ATOM 0 HG21 ILE A 46 -10.763 7.606 5.073 1.00 2.11 H new ATOM 0 HG22 ILE A 46 -10.614 7.344 6.827 1.00 2.11 H new ATOM 0 HG23 ILE A 46 -9.176 7.759 5.864 1.00 2.11 H new ATOM 0 HD11 ILE A 46 -8.044 6.020 2.603 1.00 1.89 H new ATOM 0 HD12 ILE A 46 -8.470 7.361 3.693 1.00 1.89 H new ATOM 0 HD13 ILE A 46 -7.355 6.087 4.242 1.00 1.89 H new ATOM 701 N LYS A 47 -9.828 2.823 6.489 1.00 1.27 N ATOM 702 CA LYS A 47 -9.757 1.380 6.336 1.00 1.36 C ATOM 703 C LYS A 47 -10.736 0.911 5.268 1.00 1.31 C ATOM 704 O LYS A 47 -11.932 0.792 5.530 1.00 1.29 O ATOM 705 CB LYS A 47 -9.942 0.688 7.698 1.00 1.50 C ATOM 706 CG LYS A 47 -8.657 0.812 8.541 1.00 2.48 C ATOM 707 CD LYS A 47 -8.862 1.093 10.029 1.00 3.23 C ATOM 708 CE LYS A 47 -9.582 -0.061 10.725 1.00 3.14 C ATOM 709 NZ LYS A 47 -9.696 0.184 12.177 1.00 4.09 N ATOM 0 H LYS A 47 -10.776 3.179 6.608 1.00 1.27 H new ATOM 0 HA LYS A 47 -8.766 1.093 5.983 1.00 1.36 H new ATOM 0 HB2 LYS A 47 -10.779 1.138 8.231 1.00 1.50 H new ATOM 0 HB3 LYS A 47 -10.187 -0.364 7.549 1.00 1.50 H new ATOM 0 HG2 LYS A 47 -8.088 -0.112 8.440 1.00 2.48 H new ATOM 0 HG3 LYS A 47 -8.045 1.610 8.121 1.00 2.48 H new ATOM 0 HD2 LYS A 47 -7.896 1.260 10.505 1.00 3.23 H new ATOM 0 HD3 LYS A 47 -9.440 2.009 10.151 1.00 3.23 H new ATOM 0 HE2 LYS A 47 -10.576 -0.186 10.295 1.00 3.14 H new ATOM 0 HE3 LYS A 47 -9.040 -0.990 10.551 1.00 3.14 H new ATOM 0 HZ1 LYS A 47 -10.189 -0.614 12.626 1.00 4.09 H new ATOM 0 HZ2 LYS A 47 -8.746 0.280 12.588 1.00 4.09 H new ATOM 0 HZ3 LYS A 47 -10.234 1.059 12.340 1.00 4.09 H new ATOM 723 N TYR A 48 -10.194 0.669 4.069 1.00 1.34 N ATOM 724 CA TYR A 48 -10.881 0.179 2.895 1.00 1.35 C ATOM 725 C TYR A 48 -10.795 -1.331 2.748 1.00 1.49 C ATOM 726 O TYR A 48 -10.206 -2.021 3.581 1.00 1.67 O ATOM 727 CB TYR A 48 -10.315 0.878 1.648 1.00 1.32 C ATOM 728 CG TYR A 48 -9.012 0.386 1.012 1.00 1.40 C ATOM 729 CD1 TYR A 48 -8.027 -0.301 1.749 1.00 2.43 C ATOM 730 CD2 TYR A 48 -8.756 0.685 -0.343 1.00 1.93 C ATOM 731 CE1 TYR A 48 -6.839 -0.716 1.121 1.00 2.63 C ATOM 732 CE2 TYR A 48 -7.560 0.290 -0.960 1.00 1.95 C ATOM 733 CZ TYR A 48 -6.595 -0.408 -0.223 1.00 1.77 C ATOM 734 OH TYR A 48 -5.421 -0.788 -0.805 1.00 2.00 O ATOM 0 H TYR A 48 -9.201 0.824 3.894 1.00 1.34 H new ATOM 0 HA TYR A 48 -11.939 0.414 3.008 1.00 1.35 H new ATOM 0 HB2 TYR A 48 -11.085 0.838 0.878 1.00 1.32 H new ATOM 0 HB3 TYR A 48 -10.173 1.928 1.903 1.00 1.32 H new ATOM 0 HD1 TYR A 48 -8.184 -0.509 2.797 1.00 2.43 H new ATOM 0 HD2 TYR A 48 -9.494 1.228 -0.915 1.00 1.93 H new ATOM 0 HE1 TYR A 48 -6.107 -1.278 1.681 1.00 2.63 H new ATOM 0 HE2 TYR A 48 -7.384 0.523 -2.000 1.00 1.95 H new ATOM 0 HH TYR A 48 -5.411 -0.498 -1.741 1.00 2.00 H new ATOM 744 N ASP A 49 -11.382 -1.807 1.649 1.00 1.51 N ATOM 745 CA ASP A 49 -11.263 -3.163 1.168 1.00 1.64 C ATOM 746 C ASP A 49 -10.830 -3.108 -0.306 1.00 1.70 C ATOM 747 O ASP A 49 -11.632 -2.720 -1.164 1.00 1.64 O ATOM 748 CB ASP A 49 -12.606 -3.869 1.349 1.00 1.63 C ATOM 749 CG ASP A 49 -12.532 -5.310 0.871 1.00 2.21 C ATOM 750 OD1 ASP A 49 -11.526 -5.640 0.207 1.00 3.43 O ATOM 751 OD2 ASP A 49 -13.474 -6.062 1.200 1.00 2.70 O ATOM 0 H ASP A 49 -11.974 -1.227 1.054 1.00 1.51 H new ATOM 0 HA ASP A 49 -10.516 -3.727 1.726 1.00 1.64 H new ATOM 0 HB2 ASP A 49 -12.895 -3.845 2.400 1.00 1.63 H new ATOM 0 HB3 ASP A 49 -13.378 -3.337 0.794 1.00 1.63 H new ATOM 756 N PRO A 50 -9.576 -3.477 -0.625 1.00 1.85 N ATOM 757 CA PRO A 50 -9.078 -3.455 -1.987 1.00 1.85 C ATOM 758 C PRO A 50 -9.728 -4.522 -2.873 1.00 1.98 C ATOM 759 O PRO A 50 -9.410 -4.562 -4.059 1.00 2.07 O ATOM 760 CB PRO A 50 -7.565 -3.660 -1.886 1.00 2.01 C ATOM 761 CG PRO A 50 -7.400 -4.461 -0.598 1.00 2.13 C ATOM 762 CD PRO A 50 -8.556 -3.980 0.281 1.00 1.99 C ATOM 0 HA PRO A 50 -9.326 -2.507 -2.465 1.00 1.85 H new ATOM 0 HB2 PRO A 50 -7.175 -4.201 -2.748 1.00 2.01 H new ATOM 0 HB3 PRO A 50 -7.033 -2.710 -1.839 1.00 2.01 H new ATOM 0 HG2 PRO A 50 -7.458 -5.534 -0.784 1.00 2.13 H new ATOM 0 HG3 PRO A 50 -6.435 -4.270 -0.129 1.00 2.13 H new ATOM 0 HD2 PRO A 50 -8.946 -4.795 0.891 1.00 1.99 H new ATOM 0 HD3 PRO A 50 -8.225 -3.199 0.966 1.00 1.99 H new ATOM 770 N GLU A 51 -10.606 -5.384 -2.342 1.00 2.08 N ATOM 771 CA GLU A 51 -11.374 -6.303 -3.162 1.00 2.20 C ATOM 772 C GLU A 51 -12.478 -5.560 -3.919 1.00 2.08 C ATOM 773 O GLU A 51 -12.758 -5.893 -5.070 1.00 2.24 O ATOM 774 CB GLU A 51 -11.955 -7.433 -2.293 1.00 2.30 C ATOM 775 CG GLU A 51 -12.877 -8.338 -3.117 1.00 2.35 C ATOM 776 CD GLU A 51 -13.121 -9.697 -2.467 1.00 2.63 C ATOM 777 OE1 GLU A 51 -13.242 -9.729 -1.224 1.00 2.65 O ATOM 778 OE2 GLU A 51 -13.208 -10.680 -3.234 1.00 3.58 O ATOM 0 H GLU A 51 -10.795 -5.456 -1.342 1.00 2.08 H new ATOM 0 HA GLU A 51 -10.711 -6.751 -3.902 1.00 2.20 H new ATOM 0 HB2 GLU A 51 -11.144 -8.024 -1.868 1.00 2.30 H new ATOM 0 HB3 GLU A 51 -12.510 -7.006 -1.458 1.00 2.30 H new ATOM 0 HG2 GLU A 51 -13.833 -7.835 -3.263 1.00 2.35 H new ATOM 0 HG3 GLU A 51 -12.441 -8.488 -4.105 1.00 2.35 H new ATOM 785 N VAL A 52 -13.141 -4.588 -3.281 1.00 1.87 N ATOM 786 CA VAL A 52 -14.386 -4.032 -3.803 1.00 1.81 C ATOM 787 C VAL A 52 -14.166 -2.608 -4.289 1.00 1.63 C ATOM 788 O VAL A 52 -14.968 -2.093 -5.065 1.00 1.73 O ATOM 789 CB VAL A 52 -15.511 -4.102 -2.758 1.00 1.76 C ATOM 790 CG1 VAL A 52 -16.063 -5.529 -2.645 1.00 3.00 C ATOM 791 CG2 VAL A 52 -15.076 -3.628 -1.369 1.00 2.88 C ATOM 0 H VAL A 52 -12.832 -4.173 -2.402 1.00 1.87 H new ATOM 0 HA VAL A 52 -14.701 -4.637 -4.654 1.00 1.81 H new ATOM 0 HB VAL A 52 -16.286 -3.423 -3.114 1.00 1.76 H new ATOM 0 HG11 VAL A 52 -16.858 -5.554 -1.900 1.00 3.00 H new ATOM 0 HG12 VAL A 52 -16.461 -5.843 -3.610 1.00 3.00 H new ATOM 0 HG13 VAL A 52 -15.263 -6.206 -2.345 1.00 3.00 H new ATOM 0 HG21 VAL A 52 -15.917 -3.703 -0.679 1.00 2.88 H new ATOM 0 HG22 VAL A 52 -14.257 -4.252 -1.012 1.00 2.88 H new ATOM 0 HG23 VAL A 52 -14.745 -2.591 -1.426 1.00 2.88 H new ATOM 801 N ILE A 53 -13.088 -1.975 -3.832 1.00 1.56 N ATOM 802 CA ILE A 53 -12.642 -0.699 -4.319 1.00 1.52 C ATOM 803 C ILE A 53 -11.151 -0.813 -4.601 1.00 1.55 C ATOM 804 O ILE A 53 -10.566 -1.875 -4.416 1.00 1.77 O ATOM 805 CB ILE A 53 -12.974 0.392 -3.299 1.00 1.42 C ATOM 806 CG1 ILE A 53 -12.079 0.436 -2.048 1.00 2.29 C ATOM 807 CG2 ILE A 53 -14.457 0.397 -2.914 1.00 1.98 C ATOM 808 CD1 ILE A 53 -11.887 1.894 -1.652 1.00 1.24 C ATOM 0 H ILE A 53 -12.495 -2.356 -3.095 1.00 1.56 H new ATOM 0 HA ILE A 53 -13.151 -0.418 -5.241 1.00 1.52 H new ATOM 0 HB ILE A 53 -12.745 1.312 -3.836 1.00 1.42 H new ATOM 0 HG12 ILE A 53 -12.538 -0.122 -1.232 1.00 2.29 H new ATOM 0 HG13 ILE A 53 -11.116 -0.032 -2.253 1.00 2.29 H new ATOM 0 HG21 ILE A 53 -14.642 1.189 -2.188 1.00 1.98 H new ATOM 0 HG22 ILE A 53 -15.063 0.571 -3.803 1.00 1.98 H new ATOM 0 HG23 ILE A 53 -14.723 -0.565 -2.477 1.00 1.98 H new ATOM 0 HD11 ILE A 53 -11.255 1.950 -0.766 1.00 1.24 H new ATOM 0 HD12 ILE A 53 -11.412 2.434 -2.471 1.00 1.24 H new ATOM 0 HD13 ILE A 53 -12.856 2.343 -1.435 1.00 1.24 H new ATOM 820 N GLN A 54 -10.533 0.295 -4.995 1.00 1.46 N ATOM 821 CA GLN A 54 -9.129 0.392 -5.362 1.00 1.48 C ATOM 822 C GLN A 54 -8.596 1.742 -4.883 1.00 1.44 C ATOM 823 O GLN A 54 -9.366 2.685 -4.692 1.00 1.43 O ATOM 824 CB GLN A 54 -8.976 0.189 -6.891 1.00 1.52 C ATOM 825 CG GLN A 54 -8.232 -1.069 -7.385 1.00 2.07 C ATOM 826 CD GLN A 54 -8.650 -2.328 -6.641 1.00 1.63 C ATOM 827 OE1 GLN A 54 -9.526 -3.054 -7.093 1.00 2.41 O ATOM 828 NE2 GLN A 54 -8.027 -2.569 -5.492 1.00 1.51 N ATOM 0 H GLN A 54 -11.020 1.188 -5.070 1.00 1.46 H new ATOM 0 HA GLN A 54 -8.539 -0.389 -4.883 1.00 1.48 H new ATOM 0 HB2 GLN A 54 -9.975 0.179 -7.328 1.00 1.52 H new ATOM 0 HB3 GLN A 54 -8.461 1.061 -7.293 1.00 1.52 H new ATOM 0 HG2 GLN A 54 -8.420 -1.202 -8.450 1.00 2.07 H new ATOM 0 HG3 GLN A 54 -7.159 -0.921 -7.267 1.00 2.07 H new ATOM 0 HE21 GLN A 54 -7.303 -1.931 -5.161 1.00 1.51 H new ATOM 0 HE22 GLN A 54 -8.272 -3.392 -4.942 1.00 1.51 H new ATOM 837 N PRO A 55 -7.277 1.847 -4.667 1.00 1.47 N ATOM 838 CA PRO A 55 -6.669 3.062 -4.163 1.00 1.47 C ATOM 839 C PRO A 55 -6.862 4.205 -5.165 1.00 1.46 C ATOM 840 O PRO A 55 -7.089 5.345 -4.766 1.00 1.44 O ATOM 841 CB PRO A 55 -5.206 2.697 -3.907 1.00 1.52 C ATOM 842 CG PRO A 55 -4.921 1.544 -4.862 1.00 1.47 C ATOM 843 CD PRO A 55 -6.269 0.835 -4.945 1.00 1.51 C ATOM 0 HA PRO A 55 -7.123 3.428 -3.242 1.00 1.47 H new ATOM 0 HB2 PRO A 55 -4.547 3.543 -4.101 1.00 1.52 H new ATOM 0 HB3 PRO A 55 -5.048 2.401 -2.870 1.00 1.52 H new ATOM 0 HG2 PRO A 55 -4.590 1.899 -5.838 1.00 1.47 H new ATOM 0 HG3 PRO A 55 -4.140 0.886 -4.480 1.00 1.47 H new ATOM 0 HD2 PRO A 55 -6.419 0.397 -5.932 1.00 1.51 H new ATOM 0 HD3 PRO A 55 -6.326 0.020 -4.223 1.00 1.51 H new ATOM 851 N LEU A 56 -6.822 3.903 -6.469 1.00 1.50 N ATOM 852 CA LEU A 56 -7.132 4.897 -7.487 1.00 1.47 C ATOM 853 C LEU A 56 -8.563 5.425 -7.354 1.00 1.45 C ATOM 854 O LEU A 56 -8.793 6.611 -7.549 1.00 1.36 O ATOM 855 CB LEU A 56 -6.840 4.385 -8.901 1.00 1.58 C ATOM 856 CG LEU A 56 -7.683 3.207 -9.422 1.00 2.10 C ATOM 857 CD1 LEU A 56 -8.267 3.555 -10.797 1.00 2.82 C ATOM 858 CD2 LEU A 56 -6.844 1.931 -9.537 1.00 2.69 C ATOM 0 H LEU A 56 -6.579 2.983 -6.836 1.00 1.50 H new ATOM 0 HA LEU A 56 -6.465 5.741 -7.315 1.00 1.47 H new ATOM 0 HB2 LEU A 56 -6.965 5.219 -9.592 1.00 1.58 H new ATOM 0 HB3 LEU A 56 -5.791 4.091 -8.942 1.00 1.58 H new ATOM 0 HG LEU A 56 -8.488 3.028 -8.709 1.00 2.10 H new ATOM 0 HD11 LEU A 56 -8.863 2.718 -11.162 1.00 2.82 H new ATOM 0 HD12 LEU A 56 -8.898 4.440 -10.711 1.00 2.82 H new ATOM 0 HD13 LEU A 56 -7.456 3.755 -11.497 1.00 2.82 H new ATOM 0 HD21 LEU A 56 -7.468 1.118 -9.907 1.00 2.69 H new ATOM 0 HD22 LEU A 56 -6.019 2.099 -10.229 1.00 2.69 H new ATOM 0 HD23 LEU A 56 -6.448 1.667 -8.557 1.00 2.69 H new ATOM 870 N GLU A 57 -9.505 4.551 -7.009 1.00 1.57 N ATOM 871 CA GLU A 57 -10.916 4.893 -6.848 1.00 1.58 C ATOM 872 C GLU A 57 -11.107 5.809 -5.639 1.00 1.46 C ATOM 873 O GLU A 57 -11.758 6.852 -5.758 1.00 1.40 O ATOM 874 CB GLU A 57 -11.786 3.632 -6.743 1.00 1.76 C ATOM 875 CG GLU A 57 -11.532 2.596 -7.852 1.00 1.63 C ATOM 876 CD GLU A 57 -11.913 3.084 -9.247 1.00 2.06 C ATOM 877 OE1 GLU A 57 -11.246 4.021 -9.731 1.00 3.08 O ATOM 878 OE2 GLU A 57 -12.849 2.486 -9.816 1.00 2.54 O ATOM 0 H GLU A 57 -9.306 3.567 -6.830 1.00 1.57 H new ATOM 0 HA GLU A 57 -11.242 5.434 -7.736 1.00 1.58 H new ATOM 0 HB2 GLU A 57 -11.610 3.162 -5.775 1.00 1.76 H new ATOM 0 HB3 GLU A 57 -12.836 3.925 -6.769 1.00 1.76 H new ATOM 0 HG2 GLU A 57 -10.477 2.324 -7.848 1.00 1.63 H new ATOM 0 HG3 GLU A 57 -12.096 1.691 -7.627 1.00 1.63 H new ATOM 885 N ILE A 58 -10.468 5.471 -4.506 1.00 1.43 N ATOM 886 CA ILE A 58 -10.352 6.390 -3.383 1.00 1.32 C ATOM 887 C ILE A 58 -9.877 7.714 -3.955 1.00 1.26 C ATOM 888 O ILE A 58 -10.536 8.742 -3.798 1.00 1.15 O ATOM 889 CB ILE A 58 -9.377 5.845 -2.311 1.00 1.31 C ATOM 890 CG1 ILE A 58 -10.175 5.072 -1.253 1.00 1.47 C ATOM 891 CG2 ILE A 58 -8.556 6.955 -1.623 1.00 1.22 C ATOM 892 CD1 ILE A 58 -9.294 4.239 -0.313 1.00 1.50 C ATOM 0 H ILE A 58 -10.026 4.564 -4.353 1.00 1.43 H new ATOM 0 HA ILE A 58 -11.310 6.514 -2.877 1.00 1.32 H new ATOM 0 HB ILE A 58 -8.667 5.193 -2.820 1.00 1.31 H new ATOM 0 HG12 ILE A 58 -10.759 5.778 -0.662 1.00 1.47 H new ATOM 0 HG13 ILE A 58 -10.884 4.413 -1.754 1.00 1.47 H new ATOM 0 HG21 ILE A 58 -7.892 6.510 -0.882 1.00 1.22 H new ATOM 0 HG22 ILE A 58 -7.964 7.485 -2.369 1.00 1.22 H new ATOM 0 HG23 ILE A 58 -9.231 7.655 -1.131 1.00 1.22 H new ATOM 0 HD11 ILE A 58 -9.923 3.719 0.409 1.00 1.50 H new ATOM 0 HD12 ILE A 58 -8.730 3.510 -0.894 1.00 1.50 H new ATOM 0 HD13 ILE A 58 -8.602 4.896 0.215 1.00 1.50 H new ATOM 904 N ALA A 59 -8.734 7.679 -4.645 1.00 1.38 N ATOM 905 CA ALA A 59 -8.089 8.901 -5.055 1.00 1.38 C ATOM 906 C ALA A 59 -9.022 9.740 -5.929 1.00 1.40 C ATOM 907 O ALA A 59 -9.144 10.944 -5.718 1.00 1.35 O ATOM 908 CB ALA A 59 -6.740 8.632 -5.722 1.00 1.52 C ATOM 0 H ALA A 59 -8.252 6.824 -4.922 1.00 1.38 H new ATOM 0 HA ALA A 59 -7.873 9.487 -4.162 1.00 1.38 H new ATOM 0 HB1 ALA A 59 -6.285 9.578 -6.017 1.00 1.52 H new ATOM 0 HB2 ALA A 59 -6.084 8.117 -5.021 1.00 1.52 H new ATOM 0 HB3 ALA A 59 -6.888 8.010 -6.605 1.00 1.52 H new ATOM 914 N GLN A 60 -9.698 9.095 -6.881 1.00 1.51 N ATOM 915 CA GLN A 60 -10.640 9.694 -7.807 1.00 1.62 C ATOM 916 C GLN A 60 -11.680 10.495 -7.032 1.00 1.46 C ATOM 917 O GLN A 60 -11.902 11.666 -7.336 1.00 1.51 O ATOM 918 CB GLN A 60 -11.296 8.589 -8.652 1.00 1.84 C ATOM 919 CG GLN A 60 -12.046 9.146 -9.868 1.00 1.48 C ATOM 920 CD GLN A 60 -11.104 9.802 -10.872 1.00 1.53 C ATOM 921 OE1 GLN A 60 -11.232 10.981 -11.184 1.00 2.50 O ATOM 922 NE2 GLN A 60 -10.133 9.049 -11.382 1.00 2.18 N ATOM 0 H GLN A 60 -9.593 8.091 -7.028 1.00 1.51 H new ATOM 0 HA GLN A 60 -10.122 10.377 -8.480 1.00 1.62 H new ATOM 0 HB2 GLN A 60 -10.530 7.892 -8.990 1.00 1.84 H new ATOM 0 HB3 GLN A 60 -11.989 8.023 -8.029 1.00 1.84 H new ATOM 0 HG2 GLN A 60 -12.592 8.339 -10.357 1.00 1.48 H new ATOM 0 HG3 GLN A 60 -12.785 9.875 -9.535 1.00 1.48 H new ATOM 0 HE21 GLN A 60 -10.048 8.071 -11.106 1.00 2.18 H new ATOM 0 HE22 GLN A 60 -9.474 9.450 -12.049 1.00 2.18 H new ATOM 931 N PHE A 61 -12.273 9.873 -6.006 1.00 1.30 N ATOM 932 CA PHE A 61 -13.203 10.555 -5.114 1.00 1.20 C ATOM 933 C PHE A 61 -12.585 11.868 -4.626 1.00 1.13 C ATOM 934 O PHE A 61 -13.201 12.928 -4.704 1.00 1.20 O ATOM 935 CB PHE A 61 -13.599 9.645 -3.933 1.00 1.09 C ATOM 936 CG PHE A 61 -15.041 9.181 -3.957 1.00 1.32 C ATOM 937 CD1 PHE A 61 -15.463 8.274 -4.946 1.00 2.69 C ATOM 938 CD2 PHE A 61 -15.949 9.612 -2.970 1.00 1.84 C ATOM 939 CE1 PHE A 61 -16.796 7.832 -4.973 1.00 3.03 C ATOM 940 CE2 PHE A 61 -17.283 9.166 -2.995 1.00 2.03 C ATOM 941 CZ PHE A 61 -17.708 8.280 -4.001 1.00 2.11 C ATOM 0 H PHE A 61 -12.120 8.891 -5.776 1.00 1.30 H new ATOM 0 HA PHE A 61 -14.115 10.788 -5.663 1.00 1.20 H new ATOM 0 HB2 PHE A 61 -12.949 8.770 -3.930 1.00 1.09 H new ATOM 0 HB3 PHE A 61 -13.418 10.180 -3.001 1.00 1.09 H new ATOM 0 HD1 PHE A 61 -14.761 7.917 -5.685 1.00 2.69 H new ATOM 0 HD2 PHE A 61 -15.620 10.286 -2.193 1.00 1.84 H new ATOM 0 HE1 PHE A 61 -17.121 7.147 -5.742 1.00 3.03 H new ATOM 0 HE2 PHE A 61 -17.980 9.504 -2.242 1.00 2.03 H new ATOM 0 HZ PHE A 61 -18.734 7.944 -4.027 1.00 2.11 H new ATOM 951 N ILE A 62 -11.350 11.805 -4.125 1.00 1.03 N ATOM 952 CA ILE A 62 -10.692 12.972 -3.552 1.00 0.98 C ATOM 953 C ILE A 62 -10.424 14.033 -4.626 1.00 1.17 C ATOM 954 O ILE A 62 -10.591 15.227 -4.363 1.00 1.23 O ATOM 955 CB ILE A 62 -9.427 12.568 -2.768 1.00 0.85 C ATOM 956 CG1 ILE A 62 -9.610 11.303 -1.920 1.00 1.22 C ATOM 957 CG2 ILE A 62 -8.976 13.719 -1.869 1.00 1.23 C ATOM 958 CD1 ILE A 62 -10.880 11.279 -1.073 1.00 2.48 C ATOM 0 H ILE A 62 -10.787 10.954 -4.106 1.00 1.03 H new ATOM 0 HA ILE A 62 -11.365 13.431 -2.828 1.00 0.98 H new ATOM 0 HB ILE A 62 -8.666 12.343 -3.515 1.00 0.85 H new ATOM 0 HG12 ILE A 62 -9.615 10.437 -2.581 1.00 1.22 H new ATOM 0 HG13 ILE A 62 -8.748 11.196 -1.261 1.00 1.22 H new ATOM 0 HG21 ILE A 62 -8.082 13.423 -1.320 1.00 1.23 H new ATOM 0 HG22 ILE A 62 -8.753 14.593 -2.481 1.00 1.23 H new ATOM 0 HG23 ILE A 62 -9.771 13.963 -1.164 1.00 1.23 H new ATOM 0 HD11 ILE A 62 -10.923 10.348 -0.509 1.00 2.48 H new ATOM 0 HD12 ILE A 62 -10.872 12.122 -0.382 1.00 2.48 H new ATOM 0 HD13 ILE A 62 -11.752 11.350 -1.723 1.00 2.48 H new ATOM 970 N GLN A 63 -10.036 13.607 -5.833 1.00 1.28 N ATOM 971 CA GLN A 63 -9.763 14.522 -6.928 1.00 1.47 C ATOM 972 C GLN A 63 -11.048 15.257 -7.314 1.00 1.57 C ATOM 973 O GLN A 63 -11.031 16.476 -7.468 1.00 1.62 O ATOM 974 CB GLN A 63 -9.155 13.797 -8.142 1.00 1.59 C ATOM 975 CG GLN A 63 -7.894 12.950 -7.901 1.00 1.98 C ATOM 976 CD GLN A 63 -7.009 13.471 -6.772 1.00 1.43 C ATOM 977 OE1 GLN A 63 -6.197 14.367 -6.971 1.00 2.04 O ATOM 978 NE2 GLN A 63 -7.159 12.905 -5.579 1.00 1.40 N ATOM 0 H GLN A 63 -9.905 12.623 -6.070 1.00 1.28 H new ATOM 0 HA GLN A 63 -9.023 15.248 -6.592 1.00 1.47 H new ATOM 0 HB2 GLN A 63 -9.921 13.148 -8.565 1.00 1.59 H new ATOM 0 HB3 GLN A 63 -8.919 14.546 -8.898 1.00 1.59 H new ATOM 0 HG2 GLN A 63 -8.193 11.927 -7.673 1.00 1.98 H new ATOM 0 HG3 GLN A 63 -7.310 12.914 -8.821 1.00 1.98 H new ATOM 0 HE21 GLN A 63 -7.845 12.161 -5.450 1.00 1.40 H new ATOM 0 HE22 GLN A 63 -6.588 13.214 -4.792 1.00 1.40 H new ATOM 987 N ASP A 64 -12.156 14.519 -7.449 1.00 1.61 N ATOM 988 CA ASP A 64 -13.469 15.089 -7.726 1.00 1.70 C ATOM 989 C ASP A 64 -13.840 16.091 -6.633 1.00 1.67 C ATOM 990 O ASP A 64 -14.158 17.244 -6.917 1.00 1.78 O ATOM 991 CB ASP A 64 -14.507 13.964 -7.823 1.00 1.69 C ATOM 992 CG ASP A 64 -15.916 14.529 -7.938 1.00 1.74 C ATOM 993 OD1 ASP A 64 -16.337 14.770 -9.088 1.00 2.63 O ATOM 994 OD2 ASP A 64 -16.541 14.707 -6.871 1.00 1.95 O ATOM 0 H ASP A 64 -12.161 13.502 -7.368 1.00 1.61 H new ATOM 0 HA ASP A 64 -13.448 15.619 -8.678 1.00 1.70 H new ATOM 0 HB2 ASP A 64 -14.291 13.339 -8.689 1.00 1.69 H new ATOM 0 HB3 ASP A 64 -14.439 13.325 -6.943 1.00 1.69 H new ATOM 999 N LEU A 65 -13.756 15.651 -5.374 1.00 1.53 N ATOM 1000 CA LEU A 65 -14.111 16.475 -4.230 1.00 1.49 C ATOM 1001 C LEU A 65 -13.271 17.757 -4.176 1.00 1.43 C ATOM 1002 O LEU A 65 -13.796 18.815 -3.839 1.00 1.53 O ATOM 1003 CB LEU A 65 -14.005 15.662 -2.933 1.00 1.37 C ATOM 1004 CG LEU A 65 -15.117 14.599 -2.822 1.00 1.80 C ATOM 1005 CD1 LEU A 65 -14.716 13.421 -1.925 1.00 2.45 C ATOM 1006 CD2 LEU A 65 -16.409 15.213 -2.267 1.00 1.88 C ATOM 0 H LEU A 65 -13.440 14.713 -5.126 1.00 1.53 H new ATOM 0 HA LEU A 65 -15.149 16.789 -4.343 1.00 1.49 H new ATOM 0 HB2 LEU A 65 -13.032 15.173 -2.890 1.00 1.37 H new ATOM 0 HB3 LEU A 65 -14.061 16.336 -2.078 1.00 1.37 H new ATOM 0 HG LEU A 65 -15.279 14.227 -3.834 1.00 1.80 H new ATOM 0 HD11 LEU A 65 -15.534 12.702 -1.881 1.00 2.45 H new ATOM 0 HD12 LEU A 65 -13.829 12.937 -2.335 1.00 2.45 H new ATOM 0 HD13 LEU A 65 -14.499 13.786 -0.921 1.00 2.45 H new ATOM 0 HD21 LEU A 65 -17.178 14.443 -2.198 1.00 1.88 H new ATOM 0 HD22 LEU A 65 -16.219 15.626 -1.276 1.00 1.88 H new ATOM 0 HD23 LEU A 65 -16.749 16.007 -2.932 1.00 1.88 H new ATOM 1018 N GLY A 66 -11.979 17.669 -4.512 1.00 1.32 N ATOM 1019 CA GLY A 66 -11.154 18.828 -4.841 1.00 1.31 C ATOM 1020 C GLY A 66 -9.872 18.888 -4.016 1.00 1.23 C ATOM 1021 O GLY A 66 -9.393 19.976 -3.699 1.00 1.27 O ATOM 0 H GLY A 66 -11.476 16.783 -4.562 1.00 1.32 H new ATOM 0 HA2 GLY A 66 -10.899 18.799 -5.900 1.00 1.31 H new ATOM 0 HA3 GLY A 66 -11.731 19.738 -4.677 1.00 1.31 H new ATOM 1025 N PHE A 67 -9.308 17.729 -3.675 1.00 1.18 N ATOM 1026 CA PHE A 67 -8.071 17.600 -2.932 1.00 1.13 C ATOM 1027 C PHE A 67 -7.154 16.578 -3.600 1.00 1.08 C ATOM 1028 O PHE A 67 -7.606 15.734 -4.370 1.00 1.14 O ATOM 1029 CB PHE A 67 -8.432 17.117 -1.524 1.00 1.01 C ATOM 1030 CG PHE A 67 -8.873 18.135 -0.495 1.00 1.07 C ATOM 1031 CD1 PHE A 67 -8.527 19.497 -0.579 1.00 2.40 C ATOM 1032 CD2 PHE A 67 -9.636 17.683 0.594 1.00 1.48 C ATOM 1033 CE1 PHE A 67 -8.975 20.399 0.396 1.00 2.55 C ATOM 1034 CE2 PHE A 67 -10.033 18.578 1.594 1.00 1.52 C ATOM 1035 CZ PHE A 67 -9.687 19.933 1.512 1.00 1.44 C ATOM 0 H PHE A 67 -9.720 16.829 -3.920 1.00 1.18 H new ATOM 0 HA PHE A 67 -7.549 18.556 -2.899 1.00 1.13 H new ATOM 0 HB2 PHE A 67 -9.229 16.380 -1.622 1.00 1.01 H new ATOM 0 HB3 PHE A 67 -7.564 16.595 -1.121 1.00 1.01 H new ATOM 0 HD1 PHE A 67 -7.915 19.848 -1.397 1.00 2.40 H new ATOM 0 HD2 PHE A 67 -9.917 16.642 0.660 1.00 1.48 H new ATOM 0 HE1 PHE A 67 -8.772 21.454 0.288 1.00 2.55 H new ATOM 0 HE2 PHE A 67 -10.610 18.222 2.435 1.00 1.52 H new ATOM 0 HZ PHE A 67 -9.966 20.614 2.302 1.00 1.44 H new ATOM 1045 N GLU A 68 -5.874 16.610 -3.225 1.00 1.03 N ATOM 1046 CA GLU A 68 -4.910 15.601 -3.615 1.00 1.02 C ATOM 1047 C GLU A 68 -4.807 14.615 -2.460 1.00 0.88 C ATOM 1048 O GLU A 68 -4.591 15.033 -1.319 1.00 0.81 O ATOM 1049 CB GLU A 68 -3.536 16.231 -3.850 1.00 1.04 C ATOM 1050 CG GLU A 68 -3.579 17.424 -4.813 1.00 1.08 C ATOM 1051 CD GLU A 68 -2.187 18.010 -4.992 1.00 1.40 C ATOM 1052 OE1 GLU A 68 -1.646 18.495 -3.973 1.00 2.54 O ATOM 1053 OE2 GLU A 68 -1.678 17.941 -6.130 1.00 2.28 O ATOM 0 H GLU A 68 -5.482 17.346 -2.638 1.00 1.03 H new ATOM 0 HA GLU A 68 -5.227 15.115 -4.538 1.00 1.02 H new ATOM 0 HB2 GLU A 68 -3.124 16.557 -2.895 1.00 1.04 H new ATOM 0 HB3 GLU A 68 -2.859 15.475 -4.248 1.00 1.04 H new ATOM 0 HG2 GLU A 68 -3.974 17.107 -5.778 1.00 1.08 H new ATOM 0 HG3 GLU A 68 -4.255 18.187 -4.427 1.00 1.08 H new ATOM 1060 N ALA A 69 -4.947 13.325 -2.767 1.00 0.90 N ATOM 1061 CA ALA A 69 -4.640 12.236 -1.857 1.00 0.84 C ATOM 1062 C ALA A 69 -3.423 11.508 -2.409 1.00 0.90 C ATOM 1063 O ALA A 69 -3.456 11.059 -3.553 1.00 1.02 O ATOM 1064 CB ALA A 69 -5.825 11.279 -1.743 1.00 0.90 C ATOM 0 H ALA A 69 -5.284 13.008 -3.676 1.00 0.90 H new ATOM 0 HA ALA A 69 -4.435 12.623 -0.859 1.00 0.84 H new ATOM 0 HB1 ALA A 69 -5.575 10.470 -1.057 1.00 0.90 H new ATOM 0 HB2 ALA A 69 -6.694 11.819 -1.366 1.00 0.90 H new ATOM 0 HB3 ALA A 69 -6.053 10.864 -2.725 1.00 0.90 H new ATOM 1070 N ALA A 70 -2.367 11.383 -1.605 1.00 0.91 N ATOM 1071 CA ALA A 70 -1.236 10.518 -1.911 1.00 1.07 C ATOM 1072 C ALA A 70 -0.994 9.636 -0.701 1.00 1.01 C ATOM 1073 O ALA A 70 -1.068 10.110 0.433 1.00 0.89 O ATOM 1074 CB ALA A 70 0.025 11.325 -2.253 1.00 1.29 C ATOM 0 H ALA A 70 -2.275 11.882 -0.720 1.00 0.91 H new ATOM 0 HA ALA A 70 -1.465 9.916 -2.790 1.00 1.07 H new ATOM 0 HB1 ALA A 70 0.845 10.642 -2.475 1.00 1.29 H new ATOM 0 HB2 ALA A 70 -0.170 11.953 -3.122 1.00 1.29 H new ATOM 0 HB3 ALA A 70 0.296 11.954 -1.405 1.00 1.29 H new ATOM 1080 N VAL A 71 -0.721 8.356 -0.945 1.00 1.20 N ATOM 1081 CA VAL A 71 -0.216 7.468 0.066 1.00 1.26 C ATOM 1082 C VAL A 71 1.117 8.008 0.562 1.00 1.34 C ATOM 1083 O VAL A 71 1.902 8.535 -0.222 1.00 1.42 O ATOM 1084 CB VAL A 71 -0.172 6.020 -0.453 1.00 1.56 C ATOM 1085 CG1 VAL A 71 0.435 5.868 -1.853 1.00 2.01 C ATOM 1086 CG2 VAL A 71 0.603 5.092 0.467 1.00 3.25 C ATOM 0 H VAL A 71 -0.849 7.917 -1.857 1.00 1.20 H new ATOM 0 HA VAL A 71 -0.883 7.430 0.927 1.00 1.26 H new ATOM 0 HB VAL A 71 -1.225 5.743 -0.489 1.00 1.56 H new ATOM 0 HG11 VAL A 71 0.427 4.817 -2.141 1.00 2.01 H new ATOM 0 HG12 VAL A 71 -0.151 6.444 -2.568 1.00 2.01 H new ATOM 0 HG13 VAL A 71 1.461 6.235 -1.846 1.00 2.01 H new ATOM 0 HG21 VAL A 71 0.602 4.084 0.052 1.00 3.25 H new ATOM 0 HG22 VAL A 71 1.630 5.445 0.559 1.00 3.25 H new ATOM 0 HG23 VAL A 71 0.134 5.080 1.451 1.00 3.25 H new ATOM 1096 N MET A 72 1.328 7.887 1.873 1.00 1.51 N ATOM 1097 CA MET A 72 2.551 8.267 2.553 1.00 1.91 C ATOM 1098 C MET A 72 3.772 7.821 1.752 1.00 2.27 C ATOM 1099 O MET A 72 4.622 8.634 1.406 1.00 2.61 O ATOM 1100 CB MET A 72 2.531 7.602 3.935 1.00 2.07 C ATOM 1101 CG MET A 72 1.692 8.428 4.921 1.00 2.70 C ATOM 1102 SD MET A 72 2.151 8.225 6.660 1.00 3.44 S ATOM 1103 CE MET A 72 1.101 9.491 7.406 1.00 4.75 C ATOM 0 H MET A 72 0.624 7.508 2.506 1.00 1.51 H new ATOM 0 HA MET A 72 2.613 9.350 2.655 1.00 1.91 H new ATOM 0 HB2 MET A 72 2.120 6.596 3.854 1.00 2.07 H new ATOM 0 HB3 MET A 72 3.549 7.502 4.311 1.00 2.07 H new ATOM 0 HG2 MET A 72 1.779 9.482 4.657 1.00 2.70 H new ATOM 0 HG3 MET A 72 0.643 8.155 4.802 1.00 2.70 H new ATOM 0 HE1 MET A 72 1.257 9.504 8.485 1.00 4.75 H new ATOM 0 HE2 MET A 72 1.355 10.466 6.990 1.00 4.75 H new ATOM 0 HE3 MET A 72 0.055 9.268 7.194 1.00 4.75 H new ATOM 1113 N GLU A 73 3.798 6.521 1.463 1.00 2.42 N ATOM 1114 CA GLU A 73 4.792 5.829 0.660 1.00 2.80 C ATOM 1115 C GLU A 73 4.210 4.462 0.294 1.00 2.71 C ATOM 1116 O GLU A 73 4.160 4.100 -0.879 1.00 2.46 O ATOM 1117 CB GLU A 73 6.114 5.688 1.447 1.00 3.31 C ATOM 1118 CG GLU A 73 7.199 6.663 0.961 1.00 3.96 C ATOM 1119 CD GLU A 73 8.324 6.818 1.979 1.00 5.09 C ATOM 1120 OE1 GLU A 73 8.180 7.692 2.860 1.00 6.27 O ATOM 1121 OE2 GLU A 73 9.312 6.064 1.861 1.00 5.25 O ATOM 0 H GLU A 73 3.077 5.887 1.808 1.00 2.42 H new ATOM 0 HA GLU A 73 5.022 6.389 -0.246 1.00 2.80 H new ATOM 0 HB2 GLU A 73 5.922 5.862 2.506 1.00 3.31 H new ATOM 0 HB3 GLU A 73 6.481 4.666 1.353 1.00 3.31 H new ATOM 0 HG2 GLU A 73 7.611 6.306 0.017 1.00 3.96 H new ATOM 0 HG3 GLU A 73 6.750 7.637 0.765 1.00 3.96 H new ATOM 1128 N ASP A 74 3.750 3.728 1.314 1.00 3.38 N ATOM 1129 CA ASP A 74 3.397 2.321 1.192 1.00 3.66 C ATOM 1130 C ASP A 74 1.991 2.109 0.651 1.00 2.88 C ATOM 1131 O ASP A 74 1.837 2.005 -0.563 1.00 3.58 O ATOM 1132 CB ASP A 74 3.654 1.610 2.524 1.00 5.18 C ATOM 1133 CG ASP A 74 5.127 1.725 2.867 1.00 6.54 C ATOM 1134 OD1 ASP A 74 5.935 1.381 1.978 1.00 7.00 O ATOM 1135 OD2 ASP A 74 5.425 2.238 3.967 1.00 7.63 O ATOM 0 H ASP A 74 3.614 4.103 2.253 1.00 3.38 H new ATOM 0 HA ASP A 74 4.042 1.865 0.441 1.00 3.66 H new ATOM 0 HB2 ASP A 74 3.048 2.056 3.312 1.00 5.18 H new ATOM 0 HB3 ASP A 74 3.364 0.562 2.454 1.00 5.18 H new ATOM 1140 N TYR A 75 0.985 2.044 1.542 1.00 2.41 N ATOM 1141 CA TYR A 75 -0.438 1.830 1.292 1.00 2.35 C ATOM 1142 C TYR A 75 -1.137 1.172 2.486 1.00 2.70 C ATOM 1143 O TYR A 75 -1.426 1.851 3.471 1.00 4.01 O ATOM 1144 CB TYR A 75 -0.746 1.164 -0.062 1.00 2.12 C ATOM 1145 CG TYR A 75 -0.038 -0.129 -0.497 1.00 1.78 C ATOM 1146 CD1 TYR A 75 0.660 -0.977 0.395 1.00 2.80 C ATOM 1147 CD2 TYR A 75 -0.127 -0.503 -1.850 1.00 2.45 C ATOM 1148 CE1 TYR A 75 1.026 -2.274 -0.009 1.00 3.40 C ATOM 1149 CE2 TYR A 75 0.429 -1.716 -2.291 1.00 3.09 C ATOM 1150 CZ TYR A 75 1.022 -2.601 -1.378 1.00 3.21 C ATOM 1151 OH TYR A 75 1.378 -3.844 -1.812 1.00 4.30 O ATOM 0 H TYR A 75 1.171 2.150 2.539 1.00 2.41 H new ATOM 0 HA TYR A 75 -0.879 2.822 1.193 1.00 2.35 H new ATOM 0 HB2 TYR A 75 -1.817 0.961 -0.080 1.00 2.12 H new ATOM 0 HB3 TYR A 75 -0.550 1.908 -0.834 1.00 2.12 H new ATOM 0 HD1 TYR A 75 0.912 -0.629 1.386 1.00 2.80 H new ATOM 0 HD2 TYR A 75 -0.626 0.146 -2.554 1.00 2.45 H new ATOM 0 HE1 TYR A 75 1.308 -3.013 0.726 1.00 3.40 H new ATOM 0 HE2 TYR A 75 0.400 -1.969 -3.341 1.00 3.09 H new ATOM 0 HH TYR A 75 1.959 -4.269 -1.147 1.00 4.30 H new ATOM 1161 N ALA A 76 -1.460 -0.118 2.347 1.00 2.15 N ATOM 1162 CA ALA A 76 -2.327 -0.900 3.200 1.00 2.53 C ATOM 1163 C ALA A 76 -1.596 -2.083 3.811 1.00 2.16 C ATOM 1164 O ALA A 76 -1.502 -2.192 5.032 1.00 3.22 O ATOM 1165 CB ALA A 76 -3.492 -1.373 2.332 1.00 3.10 C ATOM 0 H ALA A 76 -1.089 -0.673 1.576 1.00 2.15 H new ATOM 0 HA ALA A 76 -2.679 -0.295 4.035 1.00 2.53 H new ATOM 0 HB1 ALA A 76 -4.176 -1.970 2.935 1.00 3.10 H new ATOM 0 HB2 ALA A 76 -4.021 -0.509 1.931 1.00 3.10 H new ATOM 0 HB3 ALA A 76 -3.111 -1.978 1.510 1.00 3.10 H new ATOM 1171 N GLY A 77 -1.121 -2.975 2.943 1.00 1.54 N ATOM 1172 CA GLY A 77 -0.257 -4.081 3.266 1.00 1.67 C ATOM 1173 C GLY A 77 -0.902 -5.101 4.201 1.00 2.37 C ATOM 1174 O GLY A 77 -0.707 -5.020 5.414 1.00 3.13 O ATOM 0 H GLY A 77 -1.347 -2.933 1.949 1.00 1.54 H new ATOM 0 HA2 GLY A 77 0.041 -4.581 2.344 1.00 1.67 H new ATOM 0 HA3 GLY A 77 0.653 -3.699 3.729 1.00 1.67 H new ATOM 1178 N SER A 78 -1.661 -6.063 3.662 1.00 2.62 N ATOM 1179 CA SER A 78 -2.248 -7.119 4.487 1.00 3.67 C ATOM 1180 C SER A 78 -2.708 -8.339 3.670 1.00 3.46 C ATOM 1181 O SER A 78 -1.979 -9.326 3.623 1.00 4.41 O ATOM 1182 CB SER A 78 -3.337 -6.518 5.384 1.00 4.50 C ATOM 1183 OG SER A 78 -3.956 -7.500 6.191 1.00 5.60 O ATOM 0 H SER A 78 -1.880 -6.130 2.668 1.00 2.62 H new ATOM 0 HA SER A 78 -1.474 -7.528 5.136 1.00 3.67 H new ATOM 0 HB2 SER A 78 -2.900 -5.748 6.020 1.00 4.50 H new ATOM 0 HB3 SER A 78 -4.089 -6.030 4.764 1.00 4.50 H new ATOM 0 HG SER A 78 -4.643 -7.079 6.750 1.00 5.60 H new ATOM 1189 N ASP A 79 -3.895 -8.300 3.055 1.00 2.60 N ATOM 1190 CA ASP A 79 -4.484 -9.416 2.321 1.00 2.46 C ATOM 1191 C ASP A 79 -4.566 -9.053 0.841 1.00 2.04 C ATOM 1192 O ASP A 79 -5.008 -7.951 0.510 1.00 2.60 O ATOM 1193 CB ASP A 79 -5.888 -9.695 2.865 1.00 3.15 C ATOM 1194 CG ASP A 79 -6.437 -10.981 2.277 1.00 3.81 C ATOM 1195 OD1 ASP A 79 -6.912 -10.915 1.125 1.00 4.31 O ATOM 1196 OD2 ASP A 79 -6.331 -12.010 2.977 1.00 4.64 O ATOM 0 H ASP A 79 -4.485 -7.468 3.056 1.00 2.60 H new ATOM 0 HA ASP A 79 -3.868 -10.307 2.442 1.00 2.46 H new ATOM 0 HB2 ASP A 79 -5.856 -9.769 3.952 1.00 3.15 H new ATOM 0 HB3 ASP A 79 -6.551 -8.864 2.622 1.00 3.15 H new ATOM 1201 N GLY A 80 -4.032 -9.886 -0.060 1.00 1.73 N ATOM 1202 CA GLY A 80 -4.124 -9.661 -1.496 1.00 1.94 C ATOM 1203 C GLY A 80 -3.057 -8.673 -1.956 1.00 1.84 C ATOM 1204 O GLY A 80 -2.522 -8.777 -3.059 1.00 2.26 O ATOM 0 H GLY A 80 -3.525 -10.734 0.193 1.00 1.73 H new ATOM 0 HA2 GLY A 80 -4.004 -10.606 -2.026 1.00 1.94 H new ATOM 0 HA3 GLY A 80 -5.113 -9.278 -1.747 1.00 1.94 H new ATOM 1208 N ASN A 81 -2.759 -7.687 -1.106 1.00 1.59 N ATOM 1209 CA ASN A 81 -1.895 -6.574 -1.396 1.00 1.60 C ATOM 1210 C ASN A 81 -1.052 -6.269 -0.150 1.00 1.54 C ATOM 1211 O ASN A 81 -1.575 -5.686 0.803 1.00 1.81 O ATOM 1212 CB ASN A 81 -2.846 -5.446 -1.823 1.00 1.90 C ATOM 1213 CG ASN A 81 -2.192 -4.094 -2.005 1.00 2.07 C ATOM 1214 OD1 ASN A 81 -2.106 -3.583 -3.121 1.00 2.54 O ATOM 1215 ND2 ASN A 81 -1.778 -3.483 -0.908 1.00 2.53 N ATOM 0 H ASN A 81 -3.137 -7.655 -0.159 1.00 1.59 H new ATOM 0 HA ASN A 81 -1.170 -6.746 -2.191 1.00 1.60 H new ATOM 0 HB2 ASN A 81 -3.325 -5.730 -2.760 1.00 1.90 H new ATOM 0 HB3 ASN A 81 -3.635 -5.354 -1.076 1.00 1.90 H new ATOM 0 HD21 ASN A 81 -1.368 -2.551 -0.967 1.00 2.53 H new ATOM 0 HD22 ASN A 81 -1.868 -3.944 -0.003 1.00 2.53 H new ATOM 1222 N ILE A 82 0.220 -6.697 -0.138 1.00 1.34 N ATOM 1223 CA ILE A 82 1.093 -6.729 1.030 1.00 1.39 C ATOM 1224 C ILE A 82 2.370 -5.972 0.688 1.00 1.30 C ATOM 1225 O ILE A 82 2.717 -5.826 -0.487 1.00 1.24 O ATOM 1226 CB ILE A 82 1.386 -8.145 1.567 1.00 1.51 C ATOM 1227 CG1 ILE A 82 0.227 -9.125 1.367 1.00 2.30 C ATOM 1228 CG2 ILE A 82 1.596 -8.091 3.085 1.00 1.64 C ATOM 1229 CD1 ILE A 82 0.084 -9.483 -0.096 1.00 3.09 C ATOM 0 H ILE A 82 0.681 -7.043 -0.980 1.00 1.34 H new ATOM 0 HA ILE A 82 0.570 -6.243 1.854 1.00 1.39 H new ATOM 0 HB ILE A 82 2.262 -8.484 1.014 1.00 1.51 H new ATOM 0 HG12 ILE A 82 0.400 -10.027 1.953 1.00 2.30 H new ATOM 0 HG13 ILE A 82 -0.700 -8.681 1.731 1.00 2.30 H new ATOM 0 HG21 ILE A 82 1.803 -9.094 3.460 1.00 1.64 H new ATOM 0 HG22 ILE A 82 2.438 -7.438 3.313 1.00 1.64 H new ATOM 0 HG23 ILE A 82 0.697 -7.703 3.563 1.00 1.64 H new ATOM 0 HD11 ILE A 82 -0.744 -10.180 -0.221 1.00 3.09 H new ATOM 0 HD12 ILE A 82 -0.112 -8.580 -0.674 1.00 3.09 H new ATOM 0 HD13 ILE A 82 1.005 -9.947 -0.449 1.00 3.09 H new ATOM 1241 N GLU A 83 3.050 -5.455 1.702 1.00 1.42 N ATOM 1242 CA GLU A 83 4.325 -4.798 1.594 1.00 1.39 C ATOM 1243 C GLU A 83 5.234 -5.394 2.654 1.00 1.44 C ATOM 1244 O GLU A 83 4.748 -5.893 3.669 1.00 1.64 O ATOM 1245 CB GLU A 83 4.126 -3.299 1.798 1.00 1.55 C ATOM 1246 CG GLU A 83 3.580 -2.982 3.201 1.00 2.24 C ATOM 1247 CD GLU A 83 4.706 -2.832 4.226 1.00 2.93 C ATOM 1248 OE1 GLU A 83 5.710 -2.200 3.841 1.00 2.86 O ATOM 1249 OE2 GLU A 83 4.600 -3.409 5.333 1.00 4.24 O ATOM 0 H GLU A 83 2.704 -5.489 2.661 1.00 1.42 H new ATOM 0 HA GLU A 83 4.777 -4.942 0.613 1.00 1.39 H new ATOM 0 HB2 GLU A 83 5.075 -2.783 1.652 1.00 1.55 H new ATOM 0 HB3 GLU A 83 3.437 -2.918 1.045 1.00 1.55 H new ATOM 0 HG2 GLU A 83 2.996 -2.062 3.165 1.00 2.24 H new ATOM 0 HG3 GLU A 83 2.904 -3.777 3.517 1.00 2.24 H new ATOM 1256 N LEU A 84 6.536 -5.355 2.390 1.00 1.33 N ATOM 1257 CA LEU A 84 7.588 -5.684 3.332 1.00 1.33 C ATOM 1258 C LEU A 84 8.682 -4.628 3.173 1.00 1.39 C ATOM 1259 O LEU A 84 8.750 -3.956 2.147 1.00 1.52 O ATOM 1260 CB LEU A 84 8.130 -7.087 3.021 1.00 1.10 C ATOM 1261 CG LEU A 84 7.074 -8.193 3.222 1.00 1.84 C ATOM 1262 CD1 LEU A 84 6.936 -9.063 1.976 1.00 2.39 C ATOM 1263 CD2 LEU A 84 7.382 -9.043 4.449 1.00 2.42 C ATOM 0 H LEU A 84 6.896 -5.082 1.476 1.00 1.33 H new ATOM 0 HA LEU A 84 7.220 -5.688 4.358 1.00 1.33 H new ATOM 0 HB2 LEU A 84 8.486 -7.114 1.991 1.00 1.10 H new ATOM 0 HB3 LEU A 84 8.989 -7.290 3.661 1.00 1.10 H new ATOM 0 HG LEU A 84 6.117 -7.699 3.392 1.00 1.84 H new ATOM 0 HD11 LEU A 84 6.184 -9.832 2.151 1.00 2.39 H new ATOM 0 HD12 LEU A 84 6.632 -8.444 1.132 1.00 2.39 H new ATOM 0 HD13 LEU A 84 7.893 -9.535 1.754 1.00 2.39 H new ATOM 0 HD21 LEU A 84 6.618 -9.812 4.560 1.00 2.42 H new ATOM 0 HD22 LEU A 84 8.357 -9.515 4.329 1.00 2.42 H new ATOM 0 HD23 LEU A 84 7.392 -8.410 5.337 1.00 2.42 H new ATOM 1275 N THR A 85 9.567 -4.521 4.160 1.00 1.37 N ATOM 1276 CA THR A 85 10.786 -3.733 4.131 1.00 1.41 C ATOM 1277 C THR A 85 11.888 -4.725 3.770 1.00 1.25 C ATOM 1278 O THR A 85 11.901 -5.822 4.334 1.00 1.26 O ATOM 1279 CB THR A 85 11.000 -3.063 5.508 1.00 1.65 C ATOM 1280 OG1 THR A 85 11.390 -1.714 5.336 1.00 1.90 O ATOM 1281 CG2 THR A 85 12.017 -3.750 6.433 1.00 2.10 C ATOM 0 H THR A 85 9.442 -5.009 5.047 1.00 1.37 H new ATOM 0 HA THR A 85 10.764 -2.918 3.408 1.00 1.41 H new ATOM 0 HB THR A 85 10.034 -3.152 6.004 1.00 1.65 H new ATOM 0 HG1 THR A 85 11.522 -1.297 6.213 1.00 1.90 H new ATOM 0 HG21 THR A 85 12.088 -3.197 7.370 1.00 2.10 H new ATOM 0 HG22 THR A 85 11.692 -4.770 6.637 1.00 2.10 H new ATOM 0 HG23 THR A 85 12.993 -3.771 5.949 1.00 2.10 H new ATOM 1289 N ILE A 86 12.766 -4.374 2.826 1.00 1.23 N ATOM 1290 CA ILE A 86 13.877 -5.219 2.405 1.00 1.11 C ATOM 1291 C ILE A 86 15.186 -4.659 2.957 1.00 1.12 C ATOM 1292 O ILE A 86 15.585 -3.542 2.638 1.00 1.27 O ATOM 1293 CB ILE A 86 13.890 -5.479 0.882 1.00 1.19 C ATOM 1294 CG1 ILE A 86 13.390 -4.322 -0.003 1.00 1.28 C ATOM 1295 CG2 ILE A 86 13.064 -6.745 0.589 1.00 1.75 C ATOM 1296 CD1 ILE A 86 14.398 -3.176 -0.105 1.00 1.95 C ATOM 0 H ILE A 86 12.721 -3.484 2.330 1.00 1.23 H new ATOM 0 HA ILE A 86 13.745 -6.213 2.833 1.00 1.11 H new ATOM 0 HB ILE A 86 14.940 -5.597 0.615 1.00 1.19 H new ATOM 0 HG12 ILE A 86 13.176 -4.701 -1.002 1.00 1.28 H new ATOM 0 HG13 ILE A 86 12.452 -3.940 0.401 1.00 1.28 H new ATOM 0 HG21 ILE A 86 13.065 -6.940 -0.483 1.00 1.75 H new ATOM 0 HG22 ILE A 86 13.502 -7.595 1.113 1.00 1.75 H new ATOM 0 HG23 ILE A 86 12.039 -6.598 0.930 1.00 1.75 H new ATOM 0 HD11 ILE A 86 13.992 -2.390 -0.741 1.00 1.95 H new ATOM 0 HD12 ILE A 86 14.594 -2.774 0.889 1.00 1.95 H new ATOM 0 HD13 ILE A 86 15.328 -3.547 -0.536 1.00 1.95 H new ATOM 1308 N THR A 87 15.856 -5.439 3.801 1.00 1.05 N ATOM 1309 CA THR A 87 17.134 -5.069 4.392 1.00 1.09 C ATOM 1310 C THR A 87 18.221 -5.886 3.691 1.00 1.02 C ATOM 1311 O THR A 87 18.026 -7.075 3.432 1.00 1.10 O ATOM 1312 CB THR A 87 17.082 -5.322 5.906 1.00 1.17 C ATOM 1313 OG1 THR A 87 15.899 -4.749 6.429 1.00 1.67 O ATOM 1314 CG2 THR A 87 18.276 -4.714 6.653 1.00 1.41 C ATOM 0 H THR A 87 15.521 -6.356 4.096 1.00 1.05 H new ATOM 0 HA THR A 87 17.357 -4.011 4.257 1.00 1.09 H new ATOM 0 HB THR A 87 17.109 -6.402 6.050 1.00 1.17 H new ATOM 0 HG1 THR A 87 15.858 -4.908 7.395 1.00 1.67 H new ATOM 0 HG21 THR A 87 18.184 -4.925 7.718 1.00 1.41 H new ATOM 0 HG22 THR A 87 19.201 -5.149 6.275 1.00 1.41 H new ATOM 0 HG23 THR A 87 18.292 -3.635 6.497 1.00 1.41 H new ATOM 1322 N GLY A 88 19.343 -5.240 3.353 1.00 1.07 N ATOM 1323 CA GLY A 88 20.501 -5.868 2.725 1.00 1.09 C ATOM 1324 C GLY A 88 20.630 -5.448 1.262 1.00 1.21 C ATOM 1325 O GLY A 88 21.719 -5.112 0.801 1.00 1.43 O ATOM 0 H GLY A 88 19.469 -4.241 3.515 1.00 1.07 H new ATOM 0 HA2 GLY A 88 21.406 -5.593 3.267 1.00 1.09 H new ATOM 0 HA3 GLY A 88 20.409 -6.952 2.788 1.00 1.09 H new ATOM 1329 N MET A 89 19.517 -5.461 0.528 1.00 1.21 N ATOM 1330 CA MET A 89 19.495 -5.055 -0.871 1.00 1.36 C ATOM 1331 C MET A 89 19.898 -3.580 -1.005 1.00 1.82 C ATOM 1332 O MET A 89 19.381 -2.728 -0.287 1.00 2.16 O ATOM 1333 CB MET A 89 18.096 -5.328 -1.446 1.00 1.45 C ATOM 1334 CG MET A 89 17.921 -4.776 -2.870 1.00 1.78 C ATOM 1335 SD MET A 89 16.771 -3.396 -3.030 1.00 2.40 S ATOM 1336 CE MET A 89 15.226 -4.322 -2.991 1.00 2.72 C ATOM 0 H MET A 89 18.609 -5.753 0.889 1.00 1.21 H new ATOM 0 HA MET A 89 20.220 -5.634 -1.443 1.00 1.36 H new ATOM 0 HB2 MET A 89 17.914 -6.403 -1.453 1.00 1.45 H new ATOM 0 HB3 MET A 89 17.346 -4.882 -0.793 1.00 1.45 H new ATOM 0 HG2 MET A 89 18.896 -4.459 -3.241 1.00 1.78 H new ATOM 0 HG3 MET A 89 17.582 -5.586 -3.516 1.00 1.78 H new ATOM 0 HE1 MET A 89 14.388 -3.629 -2.918 1.00 2.72 H new ATOM 0 HE2 MET A 89 15.131 -4.910 -3.904 1.00 2.72 H new ATOM 0 HE3 MET A 89 15.223 -4.988 -2.128 1.00 2.72 H new ATOM 1346 N THR A 90 20.802 -3.275 -1.945 1.00 1.97 N ATOM 1347 CA THR A 90 21.223 -1.909 -2.241 1.00 2.51 C ATOM 1348 C THR A 90 21.784 -1.821 -3.673 1.00 2.44 C ATOM 1349 O THR A 90 22.794 -1.171 -3.926 1.00 2.67 O ATOM 1350 CB THR A 90 22.183 -1.422 -1.130 1.00 3.05 C ATOM 1351 OG1 THR A 90 22.471 -0.043 -1.250 1.00 3.91 O ATOM 1352 CG2 THR A 90 23.494 -2.215 -1.062 1.00 2.53 C ATOM 0 H THR A 90 21.262 -3.978 -2.523 1.00 1.97 H new ATOM 0 HA THR A 90 20.376 -1.223 -2.231 1.00 2.51 H new ATOM 0 HB THR A 90 21.645 -1.598 -0.198 1.00 3.05 H new ATOM 0 HG1 THR A 90 22.761 0.152 -2.166 1.00 3.91 H new ATOM 0 HG21 THR A 90 24.118 -1.819 -0.261 1.00 2.53 H new ATOM 0 HG22 THR A 90 23.275 -3.265 -0.866 1.00 2.53 H new ATOM 0 HG23 THR A 90 24.023 -2.126 -2.011 1.00 2.53 H new ATOM 1360 N CYS A 91 21.134 -2.481 -4.642 1.00 2.21 N ATOM 1361 CA CYS A 91 21.596 -2.478 -6.028 1.00 2.20 C ATOM 1362 C CYS A 91 20.474 -2.920 -6.968 1.00 2.14 C ATOM 1363 O CYS A 91 19.673 -3.785 -6.612 1.00 2.02 O ATOM 1364 CB CYS A 91 22.812 -3.403 -6.174 1.00 2.35 C ATOM 1365 SG CYS A 91 23.459 -3.299 -7.858 1.00 2.84 S ATOM 0 H CYS A 91 20.285 -3.024 -4.486 1.00 2.21 H new ATOM 0 HA CYS A 91 21.889 -1.464 -6.299 1.00 2.20 H new ATOM 0 HB2 CYS A 91 23.585 -3.119 -5.459 1.00 2.35 H new ATOM 0 HB3 CYS A 91 22.529 -4.431 -5.946 1.00 2.35 H new ATOM 0 HG CYS A 91 24.490 -4.082 -7.976 1.00 2.84 H new ATOM 1371 N ALA A 92 20.416 -2.342 -8.173 1.00 2.38 N ATOM 1372 CA ALA A 92 19.464 -2.725 -9.209 1.00 2.62 C ATOM 1373 C ALA A 92 19.515 -4.234 -9.467 1.00 2.06 C ATOM 1374 O ALA A 92 18.482 -4.875 -9.624 1.00 2.08 O ATOM 1375 CB ALA A 92 19.752 -1.943 -10.493 1.00 3.18 C ATOM 0 H ALA A 92 21.039 -1.585 -8.455 1.00 2.38 H new ATOM 0 HA ALA A 92 18.458 -2.481 -8.867 1.00 2.62 H new ATOM 0 HB1 ALA A 92 19.038 -2.233 -11.264 1.00 3.18 H new ATOM 0 HB2 ALA A 92 19.660 -0.875 -10.297 1.00 3.18 H new ATOM 0 HB3 ALA A 92 20.763 -2.164 -10.834 1.00 3.18 H new ATOM 1381 N SER A 93 20.715 -4.817 -9.478 1.00 1.79 N ATOM 1382 CA SER A 93 20.877 -6.258 -9.621 1.00 1.57 C ATOM 1383 C SER A 93 20.062 -6.996 -8.550 1.00 1.45 C ATOM 1384 O SER A 93 19.343 -7.946 -8.850 1.00 1.35 O ATOM 1385 CB SER A 93 22.366 -6.631 -9.551 1.00 1.89 C ATOM 1386 OG SER A 93 22.575 -7.947 -10.024 1.00 2.00 O ATOM 0 H SER A 93 21.593 -4.305 -9.389 1.00 1.79 H new ATOM 0 HA SER A 93 20.498 -6.565 -10.596 1.00 1.57 H new ATOM 0 HB2 SER A 93 22.950 -5.929 -10.146 1.00 1.89 H new ATOM 0 HB3 SER A 93 22.719 -6.549 -8.523 1.00 1.89 H new ATOM 0 HG SER A 93 23.529 -8.165 -9.973 1.00 2.00 H new ATOM 1392 N CYS A 94 20.169 -6.555 -7.294 1.00 1.49 N ATOM 1393 CA CYS A 94 19.481 -7.179 -6.171 1.00 1.46 C ATOM 1394 C CYS A 94 17.970 -7.029 -6.348 1.00 1.35 C ATOM 1395 O CYS A 94 17.230 -7.996 -6.176 1.00 1.29 O ATOM 1396 CB CYS A 94 19.936 -6.562 -4.845 1.00 1.63 C ATOM 1397 SG CYS A 94 21.682 -6.874 -4.496 1.00 2.10 S ATOM 0 H CYS A 94 20.739 -5.751 -7.031 1.00 1.49 H new ATOM 0 HA CYS A 94 19.731 -8.240 -6.147 1.00 1.46 H new ATOM 0 HB2 CYS A 94 19.761 -5.486 -4.870 1.00 1.63 H new ATOM 0 HB3 CYS A 94 19.330 -6.965 -4.034 1.00 1.63 H new ATOM 0 HG CYS A 94 22.003 -6.325 -3.362 1.00 2.10 H new ATOM 1403 N VAL A 95 17.512 -5.831 -6.727 1.00 1.36 N ATOM 1404 CA VAL A 95 16.119 -5.605 -7.107 1.00 1.26 C ATOM 1405 C VAL A 95 15.687 -6.633 -8.153 1.00 1.10 C ATOM 1406 O VAL A 95 14.664 -7.293 -7.990 1.00 1.05 O ATOM 1407 CB VAL A 95 15.919 -4.166 -7.622 1.00 1.36 C ATOM 1408 CG1 VAL A 95 14.568 -3.979 -8.326 1.00 1.61 C ATOM 1409 CG2 VAL A 95 16.040 -3.161 -6.475 1.00 1.66 C ATOM 0 H VAL A 95 18.096 -4.996 -6.778 1.00 1.36 H new ATOM 0 HA VAL A 95 15.490 -5.729 -6.225 1.00 1.26 H new ATOM 0 HB VAL A 95 16.706 -3.985 -8.354 1.00 1.36 H new ATOM 0 HG11 VAL A 95 14.476 -2.949 -8.670 1.00 1.61 H new ATOM 0 HG12 VAL A 95 14.506 -4.653 -9.180 1.00 1.61 H new ATOM 0 HG13 VAL A 95 13.760 -4.202 -7.629 1.00 1.61 H new ATOM 0 HG21 VAL A 95 15.896 -2.151 -6.859 1.00 1.66 H new ATOM 0 HG22 VAL A 95 15.281 -3.375 -5.722 1.00 1.66 H new ATOM 0 HG23 VAL A 95 17.030 -3.240 -6.025 1.00 1.66 H new ATOM 1419 N HIS A 96 16.472 -6.776 -9.223 1.00 1.08 N ATOM 1420 CA HIS A 96 16.132 -7.639 -10.343 1.00 1.04 C ATOM 1421 C HIS A 96 16.041 -9.083 -9.855 1.00 1.01 C ATOM 1422 O HIS A 96 15.174 -9.844 -10.272 1.00 0.94 O ATOM 1423 CB HIS A 96 17.174 -7.468 -11.461 1.00 1.15 C ATOM 1424 CG HIS A 96 16.605 -7.592 -12.849 1.00 1.38 C ATOM 1425 ND1 HIS A 96 17.019 -8.469 -13.828 1.00 2.14 N ATOM 1426 CD2 HIS A 96 15.707 -6.730 -13.421 1.00 2.50 C ATOM 1427 CE1 HIS A 96 16.366 -8.147 -14.959 1.00 2.53 C ATOM 1428 NE2 HIS A 96 15.560 -7.092 -14.762 1.00 2.65 N ATOM 0 H HIS A 96 17.363 -6.292 -9.332 1.00 1.08 H new ATOM 0 HA HIS A 96 15.162 -7.364 -10.756 1.00 1.04 H new ATOM 0 HB2 HIS A 96 17.646 -6.491 -11.358 1.00 1.15 H new ATOM 0 HB3 HIS A 96 17.957 -8.215 -11.332 1.00 1.15 H new ATOM 0 HD2 HIS A 96 15.202 -5.915 -12.923 1.00 2.50 H new ATOM 0 HE1 HIS A 96 16.475 -8.667 -15.899 1.00 2.53 H new ATOM 0 HE2 HIS A 96 14.960 -6.644 -15.454 1.00 2.65 H new ATOM 1436 N ASN A 97 16.935 -9.447 -8.936 1.00 1.12 N ATOM 1437 CA ASN A 97 16.956 -10.746 -8.288 1.00 1.17 C ATOM 1438 C ASN A 97 15.644 -10.983 -7.538 1.00 1.08 C ATOM 1439 O ASN A 97 14.952 -11.972 -7.769 1.00 1.07 O ATOM 1440 CB ASN A 97 18.152 -10.791 -7.334 1.00 1.51 C ATOM 1441 CG ASN A 97 18.755 -12.177 -7.198 1.00 1.11 C ATOM 1442 OD1 ASN A 97 18.066 -13.187 -7.271 1.00 1.74 O ATOM 1443 ND2 ASN A 97 20.069 -12.218 -7.011 1.00 1.99 N ATOM 0 H ASN A 97 17.680 -8.827 -8.618 1.00 1.12 H new ATOM 0 HA ASN A 97 17.057 -11.537 -9.031 1.00 1.17 H new ATOM 0 HB2 ASN A 97 18.918 -10.102 -7.689 1.00 1.51 H new ATOM 0 HB3 ASN A 97 17.838 -10.440 -6.351 1.00 1.51 H new ATOM 0 HD21 ASN A 97 20.544 -13.116 -6.922 1.00 1.99 H new ATOM 0 HD22 ASN A 97 20.604 -11.351 -6.956 1.00 1.99 H new ATOM 1450 N ILE A 98 15.288 -10.058 -6.645 1.00 1.11 N ATOM 1451 CA ILE A 98 14.058 -10.138 -5.870 1.00 1.11 C ATOM 1452 C ILE A 98 12.869 -10.285 -6.822 1.00 1.01 C ATOM 1453 O ILE A 98 12.116 -11.255 -6.737 1.00 0.98 O ATOM 1454 CB ILE A 98 13.963 -8.911 -4.939 1.00 1.22 C ATOM 1455 CG1 ILE A 98 14.935 -9.102 -3.764 1.00 1.38 C ATOM 1456 CG2 ILE A 98 12.540 -8.700 -4.412 1.00 1.36 C ATOM 1457 CD1 ILE A 98 15.282 -7.788 -3.062 1.00 1.59 C ATOM 0 H ILE A 98 15.850 -9.231 -6.441 1.00 1.11 H new ATOM 0 HA ILE A 98 14.051 -11.018 -5.227 1.00 1.11 H new ATOM 0 HB ILE A 98 14.230 -8.023 -5.513 1.00 1.22 H new ATOM 0 HG12 ILE A 98 14.494 -9.789 -3.042 1.00 1.38 H new ATOM 0 HG13 ILE A 98 15.851 -9.567 -4.128 1.00 1.38 H new ATOM 0 HG21 ILE A 98 12.519 -7.826 -3.761 1.00 1.36 H new ATOM 0 HG22 ILE A 98 11.861 -8.544 -5.250 1.00 1.36 H new ATOM 0 HG23 ILE A 98 12.226 -9.579 -3.849 1.00 1.36 H new ATOM 0 HD11 ILE A 98 15.971 -7.985 -2.241 1.00 1.59 H new ATOM 0 HD12 ILE A 98 15.750 -7.108 -3.774 1.00 1.59 H new ATOM 0 HD13 ILE A 98 14.372 -7.333 -2.670 1.00 1.59 H new ATOM 1469 N GLU A 99 12.723 -9.340 -7.751 1.00 1.02 N ATOM 1470 CA GLU A 99 11.632 -9.296 -8.703 1.00 1.01 C ATOM 1471 C GLU A 99 11.594 -10.611 -9.473 1.00 1.02 C ATOM 1472 O GLU A 99 10.527 -11.197 -9.590 1.00 1.07 O ATOM 1473 CB GLU A 99 11.759 -8.047 -9.589 1.00 1.04 C ATOM 1474 CG GLU A 99 10.416 -7.365 -9.861 1.00 1.21 C ATOM 1475 CD GLU A 99 9.574 -8.122 -10.877 1.00 2.13 C ATOM 1476 OE1 GLU A 99 10.098 -8.335 -11.992 1.00 3.04 O ATOM 1477 OE2 GLU A 99 8.434 -8.476 -10.512 1.00 3.38 O ATOM 0 H GLU A 99 13.381 -8.568 -7.858 1.00 1.02 H new ATOM 0 HA GLU A 99 10.670 -9.201 -8.199 1.00 1.01 H new ATOM 0 HB2 GLU A 99 12.431 -7.335 -9.109 1.00 1.04 H new ATOM 0 HB3 GLU A 99 12.216 -8.327 -10.538 1.00 1.04 H new ATOM 0 HG2 GLU A 99 9.861 -7.277 -8.927 1.00 1.21 H new ATOM 0 HG3 GLU A 99 10.593 -6.352 -10.223 1.00 1.21 H new ATOM 1484 N SER A 100 12.748 -11.135 -9.906 1.00 1.01 N ATOM 1485 CA SER A 100 12.846 -12.452 -10.527 1.00 1.04 C ATOM 1486 C SER A 100 12.222 -13.532 -9.632 1.00 1.06 C ATOM 1487 O SER A 100 11.443 -14.362 -10.092 1.00 1.14 O ATOM 1488 CB SER A 100 14.305 -12.761 -10.896 1.00 1.10 C ATOM 1489 OG SER A 100 14.434 -14.040 -11.490 1.00 1.27 O ATOM 0 H SER A 100 13.642 -10.650 -9.832 1.00 1.01 H new ATOM 0 HA SER A 100 12.272 -12.449 -11.454 1.00 1.04 H new ATOM 0 HB2 SER A 100 14.675 -12.001 -11.584 1.00 1.10 H new ATOM 0 HB3 SER A 100 14.925 -12.711 -10.001 1.00 1.10 H new ATOM 0 HG SER A 100 15.374 -14.204 -11.714 1.00 1.27 H new ATOM 1495 N LYS A 101 12.544 -13.546 -8.336 1.00 1.09 N ATOM 1496 CA LYS A 101 12.019 -14.548 -7.427 1.00 1.14 C ATOM 1497 C LYS A 101 10.494 -14.440 -7.289 1.00 1.22 C ATOM 1498 O LYS A 101 9.796 -15.456 -7.310 1.00 1.32 O ATOM 1499 CB LYS A 101 12.752 -14.451 -6.083 1.00 1.18 C ATOM 1500 CG LYS A 101 13.984 -15.367 -6.042 1.00 1.17 C ATOM 1501 CD LYS A 101 15.132 -14.878 -6.936 1.00 1.48 C ATOM 1502 CE LYS A 101 16.281 -15.892 -7.004 1.00 2.03 C ATOM 1503 NZ LYS A 101 15.910 -17.104 -7.759 1.00 2.79 N ATOM 0 H LYS A 101 13.169 -12.869 -7.899 1.00 1.09 H new ATOM 0 HA LYS A 101 12.204 -15.541 -7.836 1.00 1.14 H new ATOM 0 HB2 LYS A 101 13.059 -13.420 -5.909 1.00 1.18 H new ATOM 0 HB3 LYS A 101 12.071 -14.721 -5.276 1.00 1.18 H new ATOM 0 HG2 LYS A 101 14.339 -15.441 -5.014 1.00 1.17 H new ATOM 0 HG3 LYS A 101 13.693 -16.371 -6.352 1.00 1.17 H new ATOM 0 HD2 LYS A 101 14.754 -14.691 -7.941 1.00 1.48 H new ATOM 0 HD3 LYS A 101 15.509 -13.929 -6.555 1.00 1.48 H new ATOM 0 HE2 LYS A 101 17.148 -15.426 -7.472 1.00 2.03 H new ATOM 0 HE3 LYS A 101 16.577 -16.172 -5.993 1.00 2.03 H new ATOM 0 HZ1 LYS A 101 16.755 -17.691 -7.911 1.00 2.79 H new ATOM 0 HZ2 LYS A 101 15.204 -17.646 -7.221 1.00 2.79 H new ATOM 0 HZ3 LYS A 101 15.509 -16.831 -8.679 1.00 2.79 H new ATOM 1517 N LEU A 102 9.958 -13.224 -7.173 1.00 1.25 N ATOM 1518 CA LEU A 102 8.541 -12.987 -7.116 1.00 1.43 C ATOM 1519 C LEU A 102 7.922 -13.479 -8.410 1.00 1.39 C ATOM 1520 O LEU A 102 7.044 -14.333 -8.383 1.00 1.51 O ATOM 1521 CB LEU A 102 8.370 -11.486 -6.922 1.00 1.59 C ATOM 1522 CG LEU A 102 8.713 -11.040 -5.493 1.00 1.38 C ATOM 1523 CD1 LEU A 102 9.506 -11.964 -4.554 1.00 2.50 C ATOM 1524 CD2 LEU A 102 9.393 -9.678 -5.532 1.00 2.62 C ATOM 0 H LEU A 102 10.517 -12.373 -7.116 1.00 1.25 H new ATOM 0 HA LEU A 102 8.046 -13.515 -6.301 1.00 1.43 H new ATOM 0 HB2 LEU A 102 9.008 -10.956 -7.629 1.00 1.59 H new ATOM 0 HB3 LEU A 102 7.341 -11.207 -7.150 1.00 1.59 H new ATOM 0 HG LEU A 102 7.726 -11.044 -5.031 1.00 1.38 H new ATOM 0 HD11 LEU A 102 9.647 -11.471 -3.592 1.00 2.50 H new ATOM 0 HD12 LEU A 102 8.956 -12.894 -4.408 1.00 2.50 H new ATOM 0 HD13 LEU A 102 10.478 -12.183 -4.995 1.00 2.50 H new ATOM 0 HD21 LEU A 102 9.636 -9.363 -4.517 1.00 2.62 H new ATOM 0 HD22 LEU A 102 10.309 -9.745 -6.120 1.00 2.62 H new ATOM 0 HD23 LEU A 102 8.722 -8.949 -5.987 1.00 2.62 H new ATOM 1536 N THR A 103 8.410 -13.001 -9.548 1.00 1.29 N ATOM 1537 CA THR A 103 7.890 -13.462 -10.825 1.00 1.30 C ATOM 1538 C THR A 103 8.045 -14.978 -11.014 1.00 1.25 C ATOM 1539 O THR A 103 7.261 -15.575 -11.747 1.00 1.29 O ATOM 1540 CB THR A 103 8.498 -12.665 -11.979 1.00 1.28 C ATOM 1541 OG1 THR A 103 9.869 -12.432 -11.813 1.00 1.85 O ATOM 1542 CG2 THR A 103 7.782 -11.326 -12.160 1.00 1.66 C ATOM 0 H THR A 103 9.153 -12.305 -9.612 1.00 1.29 H new ATOM 0 HA THR A 103 6.816 -13.275 -10.825 1.00 1.30 H new ATOM 0 HB THR A 103 8.365 -13.279 -12.870 1.00 1.28 H new ATOM 0 HG1 THR A 103 10.001 -11.683 -11.195 1.00 1.85 H new ATOM 0 HG21 THR A 103 8.235 -10.780 -12.987 1.00 1.66 H new ATOM 0 HG22 THR A 103 6.728 -11.503 -12.376 1.00 1.66 H new ATOM 0 HG23 THR A 103 7.871 -10.739 -11.246 1.00 1.66 H new ATOM 1550 N ARG A 104 9.010 -15.624 -10.347 1.00 1.21 N ATOM 1551 CA ARG A 104 9.129 -17.083 -10.423 1.00 1.25 C ATOM 1552 C ARG A 104 8.016 -17.802 -9.643 1.00 1.18 C ATOM 1553 O ARG A 104 7.840 -19.008 -9.802 1.00 1.22 O ATOM 1554 CB ARG A 104 10.505 -17.578 -9.943 1.00 1.42 C ATOM 1555 CG ARG A 104 10.879 -18.886 -10.667 1.00 1.50 C ATOM 1556 CD ARG A 104 11.456 -19.968 -9.749 1.00 1.52 C ATOM 1557 NE ARG A 104 11.739 -21.182 -10.534 1.00 2.22 N ATOM 1558 CZ ARG A 104 12.269 -22.325 -10.068 1.00 3.09 C ATOM 1559 NH1 ARG A 104 12.590 -22.435 -8.775 1.00 3.67 N ATOM 1560 NH2 ARG A 104 12.477 -23.350 -10.904 1.00 4.00 N ATOM 0 H ARG A 104 9.708 -15.168 -9.759 1.00 1.21 H new ATOM 0 HA ARG A 104 9.021 -17.333 -11.479 1.00 1.25 H new ATOM 0 HB2 ARG A 104 11.261 -16.817 -10.136 1.00 1.42 H new ATOM 0 HB3 ARG A 104 10.486 -17.742 -8.866 1.00 1.42 H new ATOM 0 HG2 ARG A 104 9.992 -19.281 -11.162 1.00 1.50 H new ATOM 0 HG3 ARG A 104 11.606 -18.661 -11.447 1.00 1.50 H new ATOM 0 HD2 ARG A 104 12.369 -19.608 -9.275 1.00 1.52 H new ATOM 0 HD3 ARG A 104 10.750 -20.196 -8.950 1.00 1.52 H new ATOM 0 HE ARG A 104 11.510 -21.152 -11.528 1.00 2.22 H new ATOM 0 HH11 ARG A 104 12.432 -21.651 -8.142 1.00 3.67 H new ATOM 0 HH12 ARG A 104 12.992 -23.303 -8.421 1.00 3.67 H new ATOM 0 HH21 ARG A 104 12.233 -23.261 -11.890 1.00 4.00 H new ATOM 0 HH22 ARG A 104 12.879 -24.220 -10.554 1.00 4.00 H new ATOM 1574 N THR A 105 7.312 -17.100 -8.754 1.00 1.17 N ATOM 1575 CA THR A 105 6.315 -17.677 -7.875 1.00 1.16 C ATOM 1576 C THR A 105 4.994 -17.858 -8.644 1.00 1.08 C ATOM 1577 O THR A 105 4.725 -17.142 -9.602 1.00 1.18 O ATOM 1578 CB THR A 105 6.200 -16.740 -6.666 1.00 1.24 C ATOM 1579 OG1 THR A 105 7.474 -16.535 -6.079 1.00 1.83 O ATOM 1580 CG2 THR A 105 5.262 -17.262 -5.585 1.00 1.42 C ATOM 0 H THR A 105 7.427 -16.094 -8.629 1.00 1.17 H new ATOM 0 HA THR A 105 6.588 -18.671 -7.520 1.00 1.16 H new ATOM 0 HB THR A 105 5.788 -15.808 -7.053 1.00 1.24 H new ATOM 0 HG1 THR A 105 8.033 -16.007 -6.687 1.00 1.83 H new ATOM 0 HG21 THR A 105 5.227 -16.551 -4.759 1.00 1.42 H new ATOM 0 HG22 THR A 105 4.262 -17.386 -6.000 1.00 1.42 H new ATOM 0 HG23 THR A 105 5.625 -18.223 -5.221 1.00 1.42 H new ATOM 1588 N ASN A 106 4.171 -18.829 -8.236 1.00 1.09 N ATOM 1589 CA ASN A 106 2.928 -19.192 -8.915 1.00 1.16 C ATOM 1590 C ASN A 106 1.827 -18.146 -8.723 1.00 1.12 C ATOM 1591 O ASN A 106 1.158 -17.777 -9.683 1.00 1.17 O ATOM 1592 CB ASN A 106 2.433 -20.571 -8.435 1.00 1.39 C ATOM 1593 CG ASN A 106 2.217 -20.619 -6.922 1.00 1.78 C ATOM 1594 OD1 ASN A 106 3.109 -20.243 -6.170 1.00 2.74 O ATOM 1595 ND2 ASN A 106 1.047 -21.040 -6.453 1.00 1.72 N ATOM 0 H ASN A 106 4.356 -19.395 -7.408 1.00 1.09 H new ATOM 0 HA ASN A 106 3.153 -19.236 -9.981 1.00 1.16 H new ATOM 0 HB2 ASN A 106 1.499 -20.815 -8.940 1.00 1.39 H new ATOM 0 HB3 ASN A 106 3.158 -21.334 -8.720 1.00 1.39 H new ATOM 0 HD21 ASN A 106 0.876 -21.055 -5.448 1.00 1.72 H new ATOM 0 HD22 ASN A 106 0.320 -21.348 -7.099 1.00 1.72 H new ATOM 1602 N GLY A 107 1.583 -17.729 -7.477 1.00 1.11 N ATOM 1603 CA GLY A 107 0.401 -16.941 -7.138 1.00 1.16 C ATOM 1604 C GLY A 107 0.632 -15.454 -7.364 1.00 1.05 C ATOM 1605 O GLY A 107 -0.237 -14.732 -7.841 1.00 1.16 O ATOM 0 H GLY A 107 2.194 -17.927 -6.685 1.00 1.11 H new ATOM 0 HA2 GLY A 107 -0.444 -17.274 -7.741 1.00 1.16 H new ATOM 0 HA3 GLY A 107 0.135 -17.114 -6.095 1.00 1.16 H new ATOM 1609 N ILE A 108 1.828 -14.992 -7.005 1.00 0.95 N ATOM 1610 CA ILE A 108 2.296 -13.668 -7.362 1.00 0.89 C ATOM 1611 C ILE A 108 2.180 -13.489 -8.874 1.00 1.03 C ATOM 1612 O ILE A 108 2.589 -14.363 -9.633 1.00 1.16 O ATOM 1613 CB ILE A 108 3.766 -13.552 -6.928 1.00 0.87 C ATOM 1614 CG1 ILE A 108 3.963 -13.113 -5.480 1.00 1.60 C ATOM 1615 CG2 ILE A 108 4.614 -12.668 -7.843 1.00 1.08 C ATOM 1616 CD1 ILE A 108 3.658 -11.623 -5.317 1.00 2.21 C ATOM 0 H ILE A 108 2.497 -15.533 -6.457 1.00 0.95 H new ATOM 0 HA ILE A 108 1.701 -12.899 -6.870 1.00 0.89 H new ATOM 0 HB ILE A 108 4.120 -14.579 -7.017 1.00 0.87 H new ATOM 0 HG12 ILE A 108 3.313 -13.695 -4.827 1.00 1.60 H new ATOM 0 HG13 ILE A 108 4.989 -13.315 -5.171 1.00 1.60 H new ATOM 0 HG21 ILE A 108 5.638 -12.636 -7.471 1.00 1.08 H new ATOM 0 HG22 ILE A 108 4.607 -13.078 -8.853 1.00 1.08 H new ATOM 0 HG23 ILE A 108 4.202 -11.659 -7.858 1.00 1.08 H new ATOM 0 HD11 ILE A 108 3.805 -11.333 -4.277 1.00 2.21 H new ATOM 0 HD12 ILE A 108 4.326 -11.043 -5.953 1.00 2.21 H new ATOM 0 HD13 ILE A 108 2.625 -11.430 -5.605 1.00 2.21 H new ATOM 1628 N THR A 109 1.685 -12.327 -9.297 1.00 1.05 N ATOM 1629 CA THR A 109 1.770 -11.891 -10.686 1.00 1.20 C ATOM 1630 C THR A 109 2.470 -10.533 -10.829 1.00 0.97 C ATOM 1631 O THR A 109 3.006 -10.238 -11.894 1.00 0.93 O ATOM 1632 CB THR A 109 0.366 -11.872 -11.297 1.00 1.62 C ATOM 1633 OG1 THR A 109 -0.503 -11.104 -10.488 1.00 1.97 O ATOM 1634 CG2 THR A 109 -0.195 -13.293 -11.416 1.00 2.98 C ATOM 0 H THR A 109 1.214 -11.662 -8.684 1.00 1.05 H new ATOM 0 HA THR A 109 2.387 -12.603 -11.234 1.00 1.20 H new ATOM 0 HB THR A 109 0.437 -11.431 -12.291 1.00 1.62 H new ATOM 0 HG1 THR A 109 -1.398 -11.095 -10.886 1.00 1.97 H new ATOM 0 HG21 THR A 109 -1.193 -13.255 -11.852 1.00 2.98 H new ATOM 0 HG22 THR A 109 0.457 -13.889 -12.054 1.00 2.98 H new ATOM 0 HG23 THR A 109 -0.249 -13.747 -10.426 1.00 2.98 H new ATOM 1642 N TYR A 110 2.440 -9.695 -9.789 1.00 0.98 N ATOM 1643 CA TYR A 110 2.864 -8.309 -9.843 1.00 0.93 C ATOM 1644 C TYR A 110 3.541 -8.017 -8.507 1.00 0.93 C ATOM 1645 O TYR A 110 2.881 -8.026 -7.465 1.00 1.19 O ATOM 1646 CB TYR A 110 1.613 -7.467 -10.184 1.00 1.45 C ATOM 1647 CG TYR A 110 1.354 -6.110 -9.544 1.00 0.98 C ATOM 1648 CD1 TYR A 110 2.388 -5.218 -9.196 1.00 1.72 C ATOM 1649 CD2 TYR A 110 0.013 -5.699 -9.399 1.00 1.82 C ATOM 1650 CE1 TYR A 110 2.079 -4.019 -8.525 1.00 2.02 C ATOM 1651 CE2 TYR A 110 -0.294 -4.475 -8.784 1.00 1.75 C ATOM 1652 CZ TYR A 110 0.739 -3.659 -8.300 1.00 1.34 C ATOM 1653 OH TYR A 110 0.423 -2.584 -7.523 1.00 1.80 O ATOM 0 H TYR A 110 2.110 -9.977 -8.866 1.00 0.98 H new ATOM 0 HA TYR A 110 3.596 -8.065 -10.613 1.00 0.93 H new ATOM 0 HB2 TYR A 110 1.625 -7.309 -11.262 1.00 1.45 H new ATOM 0 HB3 TYR A 110 0.746 -8.089 -9.963 1.00 1.45 H new ATOM 0 HD1 TYR A 110 3.413 -5.453 -9.443 1.00 1.72 H new ATOM 0 HD2 TYR A 110 -0.784 -6.330 -9.764 1.00 1.82 H new ATOM 0 HE1 TYR A 110 2.874 -3.374 -8.182 1.00 2.02 H new ATOM 0 HE2 TYR A 110 -1.323 -4.162 -8.684 1.00 1.75 H new ATOM 0 HH TYR A 110 -0.551 -2.486 -7.481 1.00 1.80 H new ATOM 1663 N ALA A 111 4.857 -7.784 -8.526 1.00 0.78 N ATOM 1664 CA ALA A 111 5.538 -7.158 -7.412 1.00 0.86 C ATOM 1665 C ALA A 111 6.087 -5.817 -7.884 1.00 0.98 C ATOM 1666 O ALA A 111 6.237 -5.576 -9.081 1.00 1.12 O ATOM 1667 CB ALA A 111 6.647 -8.075 -6.915 1.00 0.83 C ATOM 0 H ALA A 111 5.465 -8.024 -9.309 1.00 0.78 H new ATOM 0 HA ALA A 111 4.855 -6.987 -6.580 1.00 0.86 H new ATOM 0 HB1 ALA A 111 7.160 -7.604 -6.076 1.00 0.83 H new ATOM 0 HB2 ALA A 111 6.218 -9.023 -6.592 1.00 0.83 H new ATOM 0 HB3 ALA A 111 7.359 -8.255 -7.721 1.00 0.83 H new ATOM 1673 N SER A 112 6.333 -4.903 -6.950 1.00 1.02 N ATOM 1674 CA SER A 112 7.047 -3.669 -7.219 1.00 1.15 C ATOM 1675 C SER A 112 7.875 -3.354 -5.982 1.00 1.22 C ATOM 1676 O SER A 112 7.311 -3.205 -4.902 1.00 1.31 O ATOM 1677 CB SER A 112 6.051 -2.563 -7.571 1.00 1.27 C ATOM 1678 OG SER A 112 5.330 -2.927 -8.735 1.00 2.05 O ATOM 0 H SER A 112 6.038 -5.003 -5.979 1.00 1.02 H new ATOM 0 HA SER A 112 7.715 -3.758 -8.076 1.00 1.15 H new ATOM 0 HB2 SER A 112 5.364 -2.401 -6.741 1.00 1.27 H new ATOM 0 HB3 SER A 112 6.578 -1.624 -7.736 1.00 1.27 H new ATOM 0 HG SER A 112 5.656 -3.791 -9.065 1.00 2.05 H new ATOM 1684 N VAL A 113 9.201 -3.303 -6.111 1.00 1.26 N ATOM 1685 CA VAL A 113 10.088 -3.079 -4.984 1.00 1.38 C ATOM 1686 C VAL A 113 10.888 -1.806 -5.241 1.00 1.46 C ATOM 1687 O VAL A 113 11.344 -1.584 -6.362 1.00 1.55 O ATOM 1688 CB VAL A 113 10.932 -4.339 -4.713 1.00 1.41 C ATOM 1689 CG1 VAL A 113 10.066 -5.612 -4.751 1.00 2.93 C ATOM 1690 CG2 VAL A 113 12.074 -4.517 -5.714 1.00 1.71 C ATOM 0 H VAL A 113 9.684 -3.417 -7.002 1.00 1.26 H new ATOM 0 HA VAL A 113 9.534 -2.914 -4.060 1.00 1.38 H new ATOM 0 HB VAL A 113 11.354 -4.194 -3.719 1.00 1.41 H new ATOM 0 HG11 VAL A 113 10.691 -6.483 -4.556 1.00 2.93 H new ATOM 0 HG12 VAL A 113 9.288 -5.546 -3.990 1.00 2.93 H new ATOM 0 HG13 VAL A 113 9.605 -5.709 -5.734 1.00 2.93 H new ATOM 0 HG21 VAL A 113 12.633 -5.421 -5.472 1.00 1.71 H new ATOM 0 HG22 VAL A 113 11.665 -4.602 -6.721 1.00 1.71 H new ATOM 0 HG23 VAL A 113 12.739 -3.655 -5.664 1.00 1.71 H new ATOM 1700 N ALA A 114 10.991 -0.938 -4.231 1.00 1.50 N ATOM 1701 CA ALA A 114 11.477 0.421 -4.389 1.00 1.67 C ATOM 1702 C ALA A 114 12.621 0.661 -3.407 1.00 1.60 C ATOM 1703 O ALA A 114 12.424 1.135 -2.289 1.00 1.66 O ATOM 1704 CB ALA A 114 10.306 1.391 -4.213 1.00 1.82 C ATOM 0 H ALA A 114 10.734 -1.169 -3.271 1.00 1.50 H new ATOM 0 HA ALA A 114 11.881 0.588 -5.388 1.00 1.67 H new ATOM 0 HB1 ALA A 114 10.661 2.415 -4.330 1.00 1.82 H new ATOM 0 HB2 ALA A 114 9.545 1.183 -4.965 1.00 1.82 H new ATOM 0 HB3 ALA A 114 9.877 1.267 -3.219 1.00 1.82 H new ATOM 1710 N LEU A 115 13.842 0.351 -3.848 1.00 1.56 N ATOM 1711 CA LEU A 115 15.056 0.468 -3.053 1.00 1.53 C ATOM 1712 C LEU A 115 15.230 1.873 -2.469 1.00 1.62 C ATOM 1713 O LEU A 115 15.764 2.023 -1.375 1.00 1.64 O ATOM 1714 CB LEU A 115 16.286 -0.010 -3.844 1.00 1.57 C ATOM 1715 CG LEU A 115 16.875 0.968 -4.879 1.00 1.78 C ATOM 1716 CD1 LEU A 115 18.307 0.527 -5.214 1.00 1.79 C ATOM 1717 CD2 LEU A 115 16.059 1.045 -6.175 1.00 2.92 C ATOM 0 H LEU A 115 14.013 0.004 -4.792 1.00 1.56 H new ATOM 0 HA LEU A 115 14.956 -0.197 -2.195 1.00 1.53 H new ATOM 0 HB2 LEU A 115 17.071 -0.262 -3.131 1.00 1.57 H new ATOM 0 HB3 LEU A 115 16.019 -0.931 -4.362 1.00 1.57 H new ATOM 0 HG LEU A 115 16.854 1.962 -4.432 1.00 1.78 H new ATOM 0 HD11 LEU A 115 18.736 1.211 -5.946 1.00 1.79 H new ATOM 0 HD12 LEU A 115 18.913 0.538 -4.308 1.00 1.79 H new ATOM 0 HD13 LEU A 115 18.290 -0.482 -5.626 1.00 1.79 H new ATOM 0 HD21 LEU A 115 16.529 1.751 -6.859 1.00 2.92 H new ATOM 0 HD22 LEU A 115 16.021 0.060 -6.640 1.00 2.92 H new ATOM 0 HD23 LEU A 115 15.046 1.379 -5.948 1.00 2.92 H new ATOM 1729 N ALA A 116 14.724 2.894 -3.172 1.00 1.71 N ATOM 1730 CA ALA A 116 14.757 4.280 -2.735 1.00 1.83 C ATOM 1731 C ALA A 116 14.130 4.435 -1.347 1.00 1.79 C ATOM 1732 O ALA A 116 14.595 5.235 -0.540 1.00 1.83 O ATOM 1733 CB ALA A 116 14.026 5.144 -3.767 1.00 2.00 C ATOM 0 H ALA A 116 14.273 2.768 -4.078 1.00 1.71 H new ATOM 0 HA ALA A 116 15.793 4.608 -2.658 1.00 1.83 H new ATOM 0 HB1 ALA A 116 14.045 6.186 -3.448 1.00 2.00 H new ATOM 0 HB2 ALA A 116 14.520 5.051 -4.734 1.00 2.00 H new ATOM 0 HB3 ALA A 116 12.992 4.810 -3.854 1.00 2.00 H new ATOM 1739 N THR A 117 13.074 3.660 -1.084 1.00 1.75 N ATOM 1740 CA THR A 117 12.349 3.623 0.182 1.00 1.77 C ATOM 1741 C THR A 117 12.642 2.317 0.947 1.00 1.63 C ATOM 1742 O THR A 117 12.262 2.157 2.109 1.00 1.73 O ATOM 1743 CB THR A 117 10.853 3.882 -0.099 1.00 1.92 C ATOM 1744 OG1 THR A 117 10.055 3.252 0.863 1.00 2.35 O ATOM 1745 CG2 THR A 117 10.327 3.349 -1.433 1.00 1.93 C ATOM 0 H THR A 117 12.689 3.018 -1.776 1.00 1.75 H new ATOM 0 HA THR A 117 12.690 4.413 0.851 1.00 1.77 H new ATOM 0 HB THR A 117 10.791 4.970 -0.096 1.00 1.92 H new ATOM 0 HG1 THR A 117 9.619 3.929 1.421 1.00 2.35 H new ATOM 0 HG21 THR A 117 9.267 3.586 -1.527 1.00 1.93 H new ATOM 0 HG22 THR A 117 10.876 3.813 -2.252 1.00 1.93 H new ATOM 0 HG23 THR A 117 10.462 2.268 -1.472 1.00 1.93 H new ATOM 1753 N SER A 118 13.310 1.361 0.294 1.00 1.45 N ATOM 1754 CA SER A 118 13.679 0.066 0.838 1.00 1.32 C ATOM 1755 C SER A 118 12.448 -0.803 1.118 1.00 1.27 C ATOM 1756 O SER A 118 12.476 -1.639 2.021 1.00 1.34 O ATOM 1757 CB SER A 118 14.600 0.214 2.058 1.00 1.35 C ATOM 1758 OG SER A 118 15.715 1.021 1.722 1.00 1.49 O ATOM 0 H SER A 118 13.618 1.482 -0.671 1.00 1.45 H new ATOM 0 HA SER A 118 14.255 -0.464 0.080 1.00 1.32 H new ATOM 0 HB2 SER A 118 14.052 0.662 2.887 1.00 1.35 H new ATOM 0 HB3 SER A 118 14.937 -0.767 2.392 1.00 1.35 H new ATOM 0 HG SER A 118 16.299 1.114 2.504 1.00 1.49 H new ATOM 1764 N LYS A 119 11.377 -0.630 0.335 1.00 1.23 N ATOM 1765 CA LYS A 119 10.169 -1.438 0.442 1.00 1.22 C ATOM 1766 C LYS A 119 10.080 -2.429 -0.713 1.00 1.13 C ATOM 1767 O LYS A 119 10.668 -2.217 -1.775 1.00 1.13 O ATOM 1768 CB LYS A 119 8.943 -0.529 0.431 1.00 1.36 C ATOM 1769 CG LYS A 119 9.008 0.492 1.564 1.00 2.16 C ATOM 1770 CD LYS A 119 8.407 -0.023 2.869 1.00 3.21 C ATOM 1771 CE LYS A 119 8.302 1.156 3.852 1.00 3.10 C ATOM 1772 NZ LYS A 119 9.617 1.633 4.316 1.00 3.97 N ATOM 0 H LYS A 119 11.330 0.081 -0.394 1.00 1.23 H new ATOM 0 HA LYS A 119 10.205 -1.996 1.378 1.00 1.22 H new ATOM 0 HB2 LYS A 119 8.878 -0.012 -0.526 1.00 1.36 H new ATOM 0 HB3 LYS A 119 8.039 -1.130 0.530 1.00 1.36 H new ATOM 0 HG2 LYS A 119 10.048 0.771 1.735 1.00 2.16 H new ATOM 0 HG3 LYS A 119 8.481 1.397 1.260 1.00 2.16 H new ATOM 0 HD2 LYS A 119 7.423 -0.456 2.689 1.00 3.21 H new ATOM 0 HD3 LYS A 119 9.031 -0.813 3.288 1.00 3.21 H new ATOM 0 HE2 LYS A 119 7.772 1.978 3.371 1.00 3.10 H new ATOM 0 HE3 LYS A 119 7.706 0.853 4.713 1.00 3.10 H new ATOM 0 HZ1 LYS A 119 9.484 2.393 5.014 1.00 3.97 H new ATOM 0 HZ2 LYS A 119 10.136 0.846 4.756 1.00 3.97 H new ATOM 0 HZ3 LYS A 119 10.160 1.997 3.507 1.00 3.97 H new ATOM 1786 N ALA A 120 9.307 -3.490 -0.498 1.00 1.14 N ATOM 1787 CA ALA A 120 8.974 -4.515 -1.463 1.00 1.16 C ATOM 1788 C ALA A 120 7.475 -4.774 -1.376 1.00 1.15 C ATOM 1789 O ALA A 120 7.014 -5.320 -0.376 1.00 1.20 O ATOM 1790 CB ALA A 120 9.788 -5.777 -1.176 1.00 1.26 C ATOM 0 H ALA A 120 8.875 -3.660 0.410 1.00 1.14 H new ATOM 0 HA ALA A 120 9.220 -4.196 -2.476 1.00 1.16 H new ATOM 0 HB1 ALA A 120 9.535 -6.547 -1.905 1.00 1.26 H new ATOM 0 HB2 ALA A 120 10.851 -5.548 -1.245 1.00 1.26 H new ATOM 0 HB3 ALA A 120 9.559 -6.137 -0.173 1.00 1.26 H new ATOM 1796 N LEU A 121 6.721 -4.363 -2.398 1.00 1.10 N ATOM 1797 CA LEU A 121 5.280 -4.544 -2.462 1.00 1.10 C ATOM 1798 C LEU A 121 5.005 -5.768 -3.321 1.00 0.95 C ATOM 1799 O LEU A 121 5.575 -5.901 -4.405 1.00 0.92 O ATOM 1800 CB LEU A 121 4.593 -3.300 -3.034 1.00 1.28 C ATOM 1801 CG LEU A 121 4.503 -2.146 -2.024 1.00 1.76 C ATOM 1802 CD1 LEU A 121 5.856 -1.650 -1.504 1.00 1.96 C ATOM 1803 CD2 LEU A 121 3.796 -0.974 -2.698 1.00 2.49 C ATOM 0 H LEU A 121 7.106 -3.888 -3.214 1.00 1.10 H new ATOM 0 HA LEU A 121 4.875 -4.691 -1.461 1.00 1.10 H new ATOM 0 HB2 LEU A 121 5.139 -2.963 -3.915 1.00 1.28 H new ATOM 0 HB3 LEU A 121 3.589 -3.566 -3.364 1.00 1.28 H new ATOM 0 HG LEU A 121 3.960 -2.533 -1.162 1.00 1.76 H new ATOM 0 HD11 LEU A 121 5.698 -0.836 -0.797 1.00 1.96 H new ATOM 0 HD12 LEU A 121 6.376 -2.468 -1.005 1.00 1.96 H new ATOM 0 HD13 LEU A 121 6.458 -1.293 -2.340 1.00 1.96 H new ATOM 0 HD21 LEU A 121 3.721 -0.142 -1.997 1.00 2.49 H new ATOM 0 HD22 LEU A 121 4.365 -0.661 -3.574 1.00 2.49 H new ATOM 0 HD23 LEU A 121 2.796 -1.280 -3.005 1.00 2.49 H new ATOM 1815 N VAL A 122 4.161 -6.670 -2.822 1.00 0.97 N ATOM 1816 CA VAL A 122 3.873 -7.953 -3.439 1.00 0.88 C ATOM 1817 C VAL A 122 2.361 -8.151 -3.464 1.00 0.95 C ATOM 1818 O VAL A 122 1.669 -7.859 -2.485 1.00 1.03 O ATOM 1819 CB VAL A 122 4.615 -9.076 -2.687 1.00 0.83 C ATOM 1820 CG1 VAL A 122 6.126 -8.946 -2.882 1.00 1.71 C ATOM 1821 CG2 VAL A 122 4.300 -9.149 -1.188 1.00 2.44 C ATOM 0 H VAL A 122 3.647 -6.519 -1.954 1.00 0.97 H new ATOM 0 HA VAL A 122 4.231 -7.982 -4.468 1.00 0.88 H new ATOM 0 HB VAL A 122 4.250 -10.004 -3.126 1.00 0.83 H new ATOM 0 HG11 VAL A 122 6.633 -9.747 -2.344 1.00 1.71 H new ATOM 0 HG12 VAL A 122 6.363 -9.015 -3.944 1.00 1.71 H new ATOM 0 HG13 VAL A 122 6.461 -7.983 -2.498 1.00 1.71 H new ATOM 0 HG21 VAL A 122 4.864 -9.966 -0.737 1.00 2.44 H new ATOM 0 HG22 VAL A 122 4.579 -8.209 -0.711 1.00 2.44 H new ATOM 0 HG23 VAL A 122 3.233 -9.324 -1.048 1.00 2.44 H new ATOM 1831 N LYS A 123 1.844 -8.583 -4.616 1.00 0.95 N ATOM 1832 CA LYS A 123 0.424 -8.792 -4.835 1.00 1.01 C ATOM 1833 C LYS A 123 0.204 -10.278 -5.136 1.00 1.01 C ATOM 1834 O LYS A 123 0.378 -10.710 -6.279 1.00 1.00 O ATOM 1835 CB LYS A 123 -0.016 -7.880 -5.986 1.00 1.06 C ATOM 1836 CG LYS A 123 0.397 -6.404 -5.781 1.00 1.06 C ATOM 1837 CD LYS A 123 -0.604 -5.536 -5.028 1.00 1.61 C ATOM 1838 CE LYS A 123 -2.002 -5.593 -5.655 1.00 2.75 C ATOM 1839 NZ LYS A 123 -2.641 -4.262 -5.662 1.00 3.36 N ATOM 0 H LYS A 123 2.416 -8.799 -5.433 1.00 0.95 H new ATOM 0 HA LYS A 123 -0.176 -8.539 -3.961 1.00 1.01 H new ATOM 0 HB2 LYS A 123 0.416 -8.246 -6.917 1.00 1.06 H new ATOM 0 HB3 LYS A 123 -1.099 -7.937 -6.093 1.00 1.06 H new ATOM 0 HG2 LYS A 123 1.345 -6.383 -5.244 1.00 1.06 H new ATOM 0 HG3 LYS A 123 0.575 -5.956 -6.759 1.00 1.06 H new ATOM 0 HD2 LYS A 123 -0.659 -5.864 -3.990 1.00 1.61 H new ATOM 0 HD3 LYS A 123 -0.253 -4.504 -5.018 1.00 1.61 H new ATOM 0 HE2 LYS A 123 -1.930 -5.970 -6.675 1.00 2.75 H new ATOM 0 HE3 LYS A 123 -2.624 -6.295 -5.099 1.00 2.75 H new ATOM 0 HZ1 LYS A 123 -3.674 -4.373 -5.696 1.00 3.36 H new ATOM 0 HZ2 LYS A 123 -2.377 -3.746 -4.799 1.00 3.36 H new ATOM 0 HZ3 LYS A 123 -2.322 -3.728 -6.496 1.00 3.36 H new ATOM 1853 N PHE A 124 -0.107 -11.063 -4.099 1.00 1.05 N ATOM 1854 CA PHE A 124 -0.292 -12.516 -4.179 1.00 1.08 C ATOM 1855 C PHE A 124 -1.671 -12.950 -3.699 1.00 1.19 C ATOM 1856 O PHE A 124 -2.365 -12.172 -3.049 1.00 1.34 O ATOM 1857 CB PHE A 124 0.798 -13.240 -3.376 1.00 1.06 C ATOM 1858 CG PHE A 124 0.928 -12.936 -1.889 1.00 1.07 C ATOM 1859 CD1 PHE A 124 -0.039 -13.398 -0.974 1.00 1.84 C ATOM 1860 CD2 PHE A 124 2.118 -12.360 -1.398 1.00 1.79 C ATOM 1861 CE1 PHE A 124 0.142 -13.207 0.407 1.00 1.88 C ATOM 1862 CE2 PHE A 124 2.316 -12.206 -0.015 1.00 1.91 C ATOM 1863 CZ PHE A 124 1.320 -12.611 0.887 1.00 1.31 C ATOM 0 H PHE A 124 -0.240 -10.696 -3.157 1.00 1.05 H new ATOM 0 HA PHE A 124 -0.210 -12.792 -5.230 1.00 1.08 H new ATOM 0 HB2 PHE A 124 0.631 -14.312 -3.482 1.00 1.06 H new ATOM 0 HB3 PHE A 124 1.757 -13.019 -3.845 1.00 1.06 H new ATOM 0 HD1 PHE A 124 -0.924 -13.901 -1.335 1.00 1.84 H new ATOM 0 HD2 PHE A 124 2.882 -12.035 -2.089 1.00 1.79 H new ATOM 0 HE1 PHE A 124 -0.626 -13.519 1.100 1.00 1.88 H new ATOM 0 HE2 PHE A 124 3.235 -11.776 0.354 1.00 1.91 H new ATOM 0 HZ PHE A 124 1.459 -12.465 1.948 1.00 1.31 H new ATOM 1873 N ASP A 125 -2.017 -14.219 -3.950 1.00 1.22 N ATOM 1874 CA ASP A 125 -3.281 -14.800 -3.495 1.00 1.35 C ATOM 1875 C ASP A 125 -3.038 -15.593 -2.203 1.00 1.42 C ATOM 1876 O ASP A 125 -2.315 -16.596 -2.240 1.00 1.40 O ATOM 1877 CB ASP A 125 -3.863 -15.711 -4.579 1.00 1.35 C ATOM 1878 CG ASP A 125 -4.570 -14.927 -5.674 1.00 1.73 C ATOM 1879 OD1 ASP A 125 -5.623 -14.336 -5.353 1.00 2.65 O ATOM 1880 OD2 ASP A 125 -4.040 -14.928 -6.804 1.00 2.63 O ATOM 0 H ASP A 125 -1.429 -14.868 -4.473 1.00 1.22 H new ATOM 0 HA ASP A 125 -3.997 -14.002 -3.297 1.00 1.35 H new ATOM 0 HB2 ASP A 125 -3.062 -16.305 -5.020 1.00 1.35 H new ATOM 0 HB3 ASP A 125 -4.565 -16.410 -4.125 1.00 1.35 H new ATOM 1885 N PRO A 126 -3.588 -15.155 -1.055 1.00 1.55 N ATOM 1886 CA PRO A 126 -3.296 -15.730 0.253 1.00 1.67 C ATOM 1887 C PRO A 126 -4.042 -17.051 0.464 1.00 1.78 C ATOM 1888 O PRO A 126 -4.914 -17.173 1.322 1.00 1.95 O ATOM 1889 CB PRO A 126 -3.706 -14.658 1.261 1.00 1.79 C ATOM 1890 CG PRO A 126 -4.861 -13.947 0.561 1.00 1.80 C ATOM 1891 CD PRO A 126 -4.453 -13.992 -0.909 1.00 1.64 C ATOM 0 HA PRO A 126 -2.243 -15.988 0.362 1.00 1.67 H new ATOM 0 HB2 PRO A 126 -4.018 -15.095 2.210 1.00 1.79 H new ATOM 0 HB3 PRO A 126 -2.885 -13.975 1.479 1.00 1.79 H new ATOM 0 HG2 PRO A 126 -5.810 -14.455 0.732 1.00 1.80 H new ATOM 0 HG3 PRO A 126 -4.979 -12.923 0.916 1.00 1.80 H new ATOM 0 HD2 PRO A 126 -5.328 -14.074 -1.554 1.00 1.64 H new ATOM 0 HD3 PRO A 126 -3.930 -13.080 -1.196 1.00 1.64 H new ATOM 1899 N GLU A 127 -3.642 -18.057 -0.306 1.00 1.73 N ATOM 1900 CA GLU A 127 -4.110 -19.428 -0.201 1.00 1.85 C ATOM 1901 C GLU A 127 -3.104 -20.347 -0.888 1.00 1.81 C ATOM 1902 O GLU A 127 -2.704 -21.369 -0.333 1.00 1.93 O ATOM 1903 CB GLU A 127 -5.529 -19.591 -0.773 1.00 1.90 C ATOM 1904 CG GLU A 127 -5.784 -18.930 -2.136 1.00 2.35 C ATOM 1905 CD GLU A 127 -7.058 -19.484 -2.759 1.00 2.51 C ATOM 1906 OE1 GLU A 127 -8.145 -19.062 -2.311 1.00 2.40 O ATOM 1907 OE2 GLU A 127 -6.916 -20.355 -3.645 1.00 3.55 O ATOM 0 H GLU A 127 -2.955 -17.931 -1.049 1.00 1.73 H new ATOM 0 HA GLU A 127 -4.180 -19.705 0.851 1.00 1.85 H new ATOM 0 HB2 GLU A 127 -5.744 -20.656 -0.862 1.00 1.90 H new ATOM 0 HB3 GLU A 127 -6.239 -19.182 -0.054 1.00 1.90 H new ATOM 0 HG2 GLU A 127 -5.870 -17.850 -2.014 1.00 2.35 H new ATOM 0 HG3 GLU A 127 -4.938 -19.110 -2.799 1.00 2.35 H new ATOM 1914 N ILE A 128 -2.681 -19.969 -2.096 1.00 1.66 N ATOM 1915 CA ILE A 128 -1.825 -20.778 -2.936 1.00 1.66 C ATOM 1916 C ILE A 128 -0.351 -20.558 -2.623 1.00 1.69 C ATOM 1917 O ILE A 128 0.474 -21.439 -2.854 1.00 1.88 O ATOM 1918 CB ILE A 128 -2.116 -20.480 -4.411 1.00 1.57 C ATOM 1919 CG1 ILE A 128 -2.232 -18.984 -4.742 1.00 1.45 C ATOM 1920 CG2 ILE A 128 -3.363 -21.255 -4.864 1.00 1.64 C ATOM 1921 CD1 ILE A 128 -2.286 -18.784 -6.248 1.00 1.68 C ATOM 0 H ILE A 128 -2.934 -19.075 -2.516 1.00 1.66 H new ATOM 0 HA ILE A 128 -2.042 -21.826 -2.730 1.00 1.66 H new ATOM 0 HB ILE A 128 -1.248 -20.822 -4.974 1.00 1.57 H new ATOM 0 HG12 ILE A 128 -3.128 -18.570 -4.280 1.00 1.45 H new ATOM 0 HG13 ILE A 128 -1.381 -18.445 -4.326 1.00 1.45 H new ATOM 0 HG21 ILE A 128 -3.564 -21.039 -5.913 1.00 1.64 H new ATOM 0 HG22 ILE A 128 -3.192 -22.324 -4.740 1.00 1.64 H new ATOM 0 HG23 ILE A 128 -4.219 -20.952 -4.260 1.00 1.64 H new ATOM 0 HD11 ILE A 128 -2.368 -17.720 -6.471 1.00 1.68 H new ATOM 0 HD12 ILE A 128 -1.377 -19.180 -6.701 1.00 1.68 H new ATOM 0 HD13 ILE A 128 -3.152 -19.308 -6.654 1.00 1.68 H new ATOM 1933 N ILE A 129 -0.021 -19.364 -2.140 1.00 1.56 N ATOM 1934 CA ILE A 129 1.317 -19.005 -1.708 1.00 1.54 C ATOM 1935 C ILE A 129 1.196 -18.129 -0.460 1.00 1.55 C ATOM 1936 O ILE A 129 0.107 -17.646 -0.147 1.00 1.56 O ATOM 1937 CB ILE A 129 2.073 -18.364 -2.892 1.00 1.45 C ATOM 1938 CG1 ILE A 129 3.341 -19.153 -3.253 1.00 1.54 C ATOM 1939 CG2 ILE A 129 2.326 -16.856 -2.755 1.00 1.34 C ATOM 1940 CD1 ILE A 129 4.460 -19.125 -2.210 1.00 1.46 C ATOM 0 H ILE A 129 -0.695 -18.605 -2.038 1.00 1.56 H new ATOM 0 HA ILE A 129 1.914 -19.869 -1.418 1.00 1.54 H new ATOM 0 HB ILE A 129 1.391 -18.437 -3.739 1.00 1.45 H new ATOM 0 HG12 ILE A 129 3.062 -20.191 -3.432 1.00 1.54 H new ATOM 0 HG13 ILE A 129 3.735 -18.763 -4.192 1.00 1.54 H new ATOM 0 HG21 ILE A 129 2.862 -16.496 -3.633 1.00 1.34 H new ATOM 0 HG22 ILE A 129 1.373 -16.333 -2.672 1.00 1.34 H new ATOM 0 HG23 ILE A 129 2.923 -16.667 -1.863 1.00 1.34 H new ATOM 0 HD11 ILE A 129 5.305 -19.713 -2.567 1.00 1.46 H new ATOM 0 HD12 ILE A 129 4.778 -18.096 -2.045 1.00 1.46 H new ATOM 0 HD13 ILE A 129 4.095 -19.546 -1.273 1.00 1.46 H new ATOM 1952 N GLY A 130 2.301 -17.946 0.268 1.00 1.57 N ATOM 1953 CA GLY A 130 2.334 -17.181 1.500 1.00 1.62 C ATOM 1954 C GLY A 130 3.702 -16.523 1.666 1.00 1.54 C ATOM 1955 O GLY A 130 4.668 -16.938 1.022 1.00 1.50 O ATOM 0 H GLY A 130 3.207 -18.334 0.007 1.00 1.57 H new ATOM 0 HA2 GLY A 130 1.554 -16.420 1.487 1.00 1.62 H new ATOM 0 HA3 GLY A 130 2.129 -17.833 2.349 1.00 1.62 H new ATOM 1959 N PRO A 131 3.798 -15.509 2.537 1.00 1.56 N ATOM 1960 CA PRO A 131 4.986 -14.685 2.678 1.00 1.50 C ATOM 1961 C PRO A 131 6.187 -15.508 3.138 1.00 1.54 C ATOM 1962 O PRO A 131 7.303 -15.243 2.711 1.00 1.45 O ATOM 1963 CB PRO A 131 4.610 -13.585 3.676 1.00 1.56 C ATOM 1964 CG PRO A 131 3.479 -14.207 4.495 1.00 1.67 C ATOM 1965 CD PRO A 131 2.768 -15.098 3.477 1.00 1.63 C ATOM 0 HA PRO A 131 5.294 -14.253 1.726 1.00 1.50 H new ATOM 0 HB2 PRO A 131 5.456 -13.310 4.306 1.00 1.56 H new ATOM 0 HB3 PRO A 131 4.284 -12.678 3.167 1.00 1.56 H new ATOM 0 HG2 PRO A 131 3.861 -14.783 5.338 1.00 1.67 H new ATOM 0 HG3 PRO A 131 2.811 -13.448 4.903 1.00 1.67 H new ATOM 0 HD2 PRO A 131 2.311 -15.961 3.962 1.00 1.63 H new ATOM 0 HD3 PRO A 131 1.968 -14.556 2.972 1.00 1.63 H new ATOM 1973 N ARG A 132 5.977 -16.517 3.988 1.00 1.69 N ATOM 1974 CA ARG A 132 7.048 -17.375 4.478 1.00 1.76 C ATOM 1975 C ARG A 132 7.884 -17.973 3.355 1.00 1.68 C ATOM 1976 O ARG A 132 9.102 -18.067 3.487 1.00 1.65 O ATOM 1977 CB ARG A 132 6.492 -18.503 5.360 1.00 1.98 C ATOM 1978 CG ARG A 132 6.797 -18.216 6.830 1.00 2.05 C ATOM 1979 CD ARG A 132 6.208 -19.328 7.704 1.00 2.30 C ATOM 1980 NE ARG A 132 6.259 -18.977 9.132 1.00 3.40 N ATOM 1981 CZ ARG A 132 5.819 -19.768 10.124 1.00 3.99 C ATOM 1982 NH1 ARG A 132 5.400 -21.008 9.848 1.00 3.70 N ATOM 1983 NH2 ARG A 132 5.795 -19.315 11.383 1.00 5.47 N ATOM 0 H ARG A 132 5.056 -16.759 4.354 1.00 1.69 H new ATOM 0 HA ARG A 132 7.700 -16.735 5.072 1.00 1.76 H new ATOM 0 HB2 ARG A 132 5.416 -18.593 5.214 1.00 1.98 H new ATOM 0 HB3 ARG A 132 6.934 -19.456 5.068 1.00 1.98 H new ATOM 0 HG2 ARG A 132 7.874 -18.152 6.982 1.00 2.05 H new ATOM 0 HG3 ARG A 132 6.377 -17.252 7.118 1.00 2.05 H new ATOM 0 HD2 ARG A 132 5.175 -19.514 7.411 1.00 2.30 H new ATOM 0 HD3 ARG A 132 6.758 -20.254 7.536 1.00 2.30 H new ATOM 0 HE ARG A 132 6.655 -18.072 9.386 1.00 3.40 H new ATOM 0 HH11 ARG A 132 5.415 -21.349 8.887 1.00 3.70 H new ATOM 0 HH12 ARG A 132 5.065 -21.612 10.599 1.00 3.70 H new ATOM 0 HH21 ARG A 132 6.111 -18.368 11.590 1.00 5.47 H new ATOM 0 HH22 ARG A 132 5.460 -19.917 12.135 1.00 5.47 H new ATOM 1997 N ASP A 133 7.245 -18.426 2.275 1.00 1.69 N ATOM 1998 CA ASP A 133 8.001 -19.064 1.214 1.00 1.64 C ATOM 1999 C ASP A 133 8.841 -18.016 0.482 1.00 1.53 C ATOM 2000 O ASP A 133 10.010 -18.252 0.188 1.00 1.54 O ATOM 2001 CB ASP A 133 7.083 -19.867 0.292 1.00 1.78 C ATOM 2002 CG ASP A 133 7.875 -20.975 -0.384 1.00 2.45 C ATOM 2003 OD1 ASP A 133 8.233 -21.929 0.347 1.00 3.06 O ATOM 2004 OD2 ASP A 133 8.136 -20.848 -1.595 1.00 3.36 O ATOM 0 H ASP A 133 6.239 -18.364 2.120 1.00 1.69 H new ATOM 0 HA ASP A 133 8.694 -19.790 1.638 1.00 1.64 H new ATOM 0 HB2 ASP A 133 6.259 -20.293 0.865 1.00 1.78 H new ATOM 0 HB3 ASP A 133 6.643 -19.211 -0.459 1.00 1.78 H new ATOM 2009 N ILE A 134 8.275 -16.821 0.277 1.00 1.44 N ATOM 2010 CA ILE A 134 9.002 -15.690 -0.283 1.00 1.30 C ATOM 2011 C ILE A 134 10.196 -15.368 0.622 1.00 1.25 C ATOM 2012 O ILE A 134 11.313 -15.208 0.137 1.00 1.16 O ATOM 2013 CB ILE A 134 8.068 -14.477 -0.484 1.00 1.28 C ATOM 2014 CG1 ILE A 134 6.912 -14.836 -1.441 1.00 1.37 C ATOM 2015 CG2 ILE A 134 8.874 -13.291 -1.030 1.00 1.17 C ATOM 2016 CD1 ILE A 134 5.908 -13.693 -1.638 1.00 1.16 C ATOM 0 H ILE A 134 7.300 -16.617 0.497 1.00 1.44 H new ATOM 0 HA ILE A 134 9.382 -15.947 -1.272 1.00 1.30 H new ATOM 0 HB ILE A 134 7.635 -14.198 0.477 1.00 1.28 H new ATOM 0 HG12 ILE A 134 7.326 -15.117 -2.409 1.00 1.37 H new ATOM 0 HG13 ILE A 134 6.387 -15.709 -1.053 1.00 1.37 H new ATOM 0 HG21 ILE A 134 8.213 -12.436 -1.171 1.00 1.17 H new ATOM 0 HG22 ILE A 134 9.660 -13.029 -0.322 1.00 1.17 H new ATOM 0 HG23 ILE A 134 9.322 -13.565 -1.985 1.00 1.17 H new ATOM 0 HD11 ILE A 134 5.122 -14.013 -2.322 1.00 1.16 H new ATOM 0 HD12 ILE A 134 5.467 -13.426 -0.677 1.00 1.16 H new ATOM 0 HD13 ILE A 134 6.421 -12.826 -2.055 1.00 1.16 H new ATOM 2028 N ILE A 135 9.963 -15.289 1.935 1.00 1.34 N ATOM 2029 CA ILE A 135 10.997 -15.058 2.933 1.00 1.31 C ATOM 2030 C ILE A 135 12.089 -16.115 2.792 1.00 1.30 C ATOM 2031 O ILE A 135 13.237 -15.752 2.574 1.00 1.17 O ATOM 2032 CB ILE A 135 10.396 -14.960 4.347 1.00 1.50 C ATOM 2033 CG1 ILE A 135 9.674 -13.605 4.478 1.00 1.43 C ATOM 2034 CG2 ILE A 135 11.481 -15.082 5.429 1.00 2.08 C ATOM 2035 CD1 ILE A 135 8.685 -13.551 5.645 1.00 1.63 C ATOM 0 H ILE A 135 9.030 -15.386 2.336 1.00 1.34 H new ATOM 0 HA ILE A 135 11.470 -14.091 2.761 1.00 1.31 H new ATOM 0 HB ILE A 135 9.695 -15.782 4.492 1.00 1.50 H new ATOM 0 HG12 ILE A 135 10.417 -12.817 4.605 1.00 1.43 H new ATOM 0 HG13 ILE A 135 9.141 -13.395 3.551 1.00 1.43 H new ATOM 0 HG21 ILE A 135 11.022 -15.009 6.415 1.00 2.08 H new ATOM 0 HG22 ILE A 135 11.983 -16.045 5.334 1.00 2.08 H new ATOM 0 HG23 ILE A 135 12.208 -14.279 5.307 1.00 2.08 H new ATOM 0 HD11 ILE A 135 8.214 -12.569 5.677 1.00 1.63 H new ATOM 0 HD12 ILE A 135 7.921 -14.316 5.510 1.00 1.63 H new ATOM 0 HD13 ILE A 135 9.216 -13.730 6.580 1.00 1.63 H new ATOM 2047 N LYS A 136 11.764 -17.411 2.866 1.00 1.45 N ATOM 2048 CA LYS A 136 12.723 -18.463 2.671 1.00 1.52 C ATOM 2049 C LYS A 136 13.524 -18.233 1.378 1.00 1.42 C ATOM 2050 O LYS A 136 14.752 -18.303 1.381 1.00 1.44 O ATOM 2051 CB LYS A 136 11.934 -19.781 2.683 1.00 1.73 C ATOM 2052 CG LYS A 136 12.878 -20.875 2.233 1.00 2.57 C ATOM 2053 CD LYS A 136 12.362 -22.306 2.391 1.00 2.52 C ATOM 2054 CE LYS A 136 11.243 -22.624 1.381 1.00 3.82 C ATOM 2055 NZ LYS A 136 9.939 -22.867 2.023 1.00 4.06 N ATOM 0 H LYS A 136 10.820 -17.743 3.064 1.00 1.45 H new ATOM 0 HA LYS A 136 13.472 -18.490 3.462 1.00 1.52 H new ATOM 0 HB2 LYS A 136 11.551 -19.991 3.682 1.00 1.73 H new ATOM 0 HB3 LYS A 136 11.073 -19.719 2.018 1.00 1.73 H new ATOM 0 HG2 LYS A 136 13.121 -20.710 1.183 1.00 2.57 H new ATOM 0 HG3 LYS A 136 13.808 -20.780 2.794 1.00 2.57 H new ATOM 0 HD2 LYS A 136 13.186 -23.007 2.254 1.00 2.52 H new ATOM 0 HD3 LYS A 136 11.988 -22.448 3.405 1.00 2.52 H new ATOM 0 HE2 LYS A 136 11.148 -21.795 0.680 1.00 3.82 H new ATOM 0 HE3 LYS A 136 11.525 -23.502 0.800 1.00 3.82 H new ATOM 0 HZ1 LYS A 136 9.186 -22.823 1.307 1.00 4.06 H new ATOM 0 HZ2 LYS A 136 9.940 -23.808 2.467 1.00 4.06 H new ATOM 0 HZ3 LYS A 136 9.769 -22.142 2.749 1.00 4.06 H new ATOM 2069 N ILE A 137 12.826 -17.988 0.269 1.00 1.34 N ATOM 2070 CA ILE A 137 13.459 -17.756 -1.018 1.00 1.31 C ATOM 2071 C ILE A 137 14.479 -16.610 -0.908 1.00 1.23 C ATOM 2072 O ILE A 137 15.648 -16.796 -1.237 1.00 1.26 O ATOM 2073 CB ILE A 137 12.373 -17.553 -2.096 1.00 1.28 C ATOM 2074 CG1 ILE A 137 11.693 -18.895 -2.430 1.00 1.48 C ATOM 2075 CG2 ILE A 137 12.968 -16.945 -3.367 1.00 1.31 C ATOM 2076 CD1 ILE A 137 10.336 -18.718 -3.125 1.00 2.36 C ATOM 0 H ILE A 137 11.807 -17.946 0.243 1.00 1.34 H new ATOM 0 HA ILE A 137 14.036 -18.625 -1.332 1.00 1.31 H new ATOM 0 HB ILE A 137 11.630 -16.863 -1.697 1.00 1.28 H new ATOM 0 HG12 ILE A 137 12.351 -19.481 -3.072 1.00 1.48 H new ATOM 0 HG13 ILE A 137 11.554 -19.465 -1.511 1.00 1.48 H new ATOM 0 HG21 ILE A 137 12.181 -16.813 -4.110 1.00 1.31 H new ATOM 0 HG22 ILE A 137 13.413 -15.978 -3.134 1.00 1.31 H new ATOM 0 HG23 ILE A 137 13.734 -17.611 -3.765 1.00 1.31 H new ATOM 0 HD11 ILE A 137 9.905 -19.697 -3.336 1.00 2.36 H new ATOM 0 HD12 ILE A 137 9.664 -18.158 -2.474 1.00 2.36 H new ATOM 0 HD13 ILE A 137 10.474 -18.174 -4.059 1.00 2.36 H new ATOM 2088 N ILE A 138 14.081 -15.424 -0.442 1.00 1.18 N ATOM 2089 CA ILE A 138 15.008 -14.295 -0.367 1.00 1.18 C ATOM 2090 C ILE A 138 16.114 -14.496 0.682 1.00 1.25 C ATOM 2091 O ILE A 138 17.230 -14.003 0.496 1.00 1.31 O ATOM 2092 CB ILE A 138 14.284 -12.941 -0.258 1.00 1.12 C ATOM 2093 CG1 ILE A 138 13.399 -12.777 0.984 1.00 1.12 C ATOM 2094 CG2 ILE A 138 13.436 -12.687 -1.511 1.00 1.13 C ATOM 2095 CD1 ILE A 138 14.126 -12.200 2.196 1.00 1.32 C ATOM 0 H ILE A 138 13.136 -15.223 -0.115 1.00 1.18 H new ATOM 0 HA ILE A 138 15.532 -14.264 -1.322 1.00 1.18 H new ATOM 0 HB ILE A 138 15.083 -12.205 -0.164 1.00 1.12 H new ATOM 0 HG12 ILE A 138 12.559 -12.129 0.735 1.00 1.12 H new ATOM 0 HG13 ILE A 138 12.983 -13.749 1.252 1.00 1.12 H new ATOM 0 HG21 ILE A 138 12.930 -11.726 -1.419 1.00 1.13 H new ATOM 0 HG22 ILE A 138 14.080 -12.676 -2.390 1.00 1.13 H new ATOM 0 HG23 ILE A 138 12.694 -13.479 -1.615 1.00 1.13 H new ATOM 0 HD11 ILE A 138 13.431 -12.116 3.031 1.00 1.32 H new ATOM 0 HD12 ILE A 138 14.949 -12.858 2.474 1.00 1.32 H new ATOM 0 HD13 ILE A 138 14.518 -11.213 1.949 1.00 1.32 H new ATOM 2107 N GLU A 139 15.843 -15.243 1.756 1.00 1.29 N ATOM 2108 CA GLU A 139 16.860 -15.641 2.723 1.00 1.38 C ATOM 2109 C GLU A 139 17.969 -16.447 2.040 1.00 1.46 C ATOM 2110 O GLU A 139 19.134 -16.300 2.398 1.00 1.48 O ATOM 2111 CB GLU A 139 16.243 -16.451 3.872 1.00 1.46 C ATOM 2112 CG GLU A 139 15.303 -15.621 4.764 1.00 1.46 C ATOM 2113 CD GLU A 139 15.827 -15.475 6.187 1.00 2.02 C ATOM 2114 OE1 GLU A 139 15.922 -16.525 6.857 1.00 2.29 O ATOM 2115 OE2 GLU A 139 16.106 -14.323 6.582 1.00 3.08 O ATOM 0 H GLU A 139 14.909 -15.588 1.976 1.00 1.29 H new ATOM 0 HA GLU A 139 17.296 -14.734 3.142 1.00 1.38 H new ATOM 0 HB2 GLU A 139 15.689 -17.294 3.457 1.00 1.46 H new ATOM 0 HB3 GLU A 139 17.043 -16.866 4.486 1.00 1.46 H new ATOM 0 HG2 GLU A 139 15.171 -14.632 4.326 1.00 1.46 H new ATOM 0 HG3 GLU A 139 14.321 -16.092 4.789 1.00 1.46 H new ATOM 2122 N GLU A 140 17.630 -17.277 1.043 1.00 1.53 N ATOM 2123 CA GLU A 140 18.624 -18.041 0.295 1.00 1.66 C ATOM 2124 C GLU A 140 19.594 -17.078 -0.396 1.00 1.61 C ATOM 2125 O GLU A 140 20.794 -17.334 -0.471 1.00 1.71 O ATOM 2126 CB GLU A 140 17.920 -18.960 -0.716 1.00 1.84 C ATOM 2127 CG GLU A 140 18.860 -19.992 -1.348 1.00 2.61 C ATOM 2128 CD GLU A 140 18.118 -20.832 -2.381 1.00 3.29 C ATOM 2129 OE1 GLU A 140 17.833 -20.275 -3.465 1.00 4.73 O ATOM 2130 OE2 GLU A 140 17.832 -22.006 -2.064 1.00 3.06 O ATOM 0 H GLU A 140 16.669 -17.433 0.739 1.00 1.53 H new ATOM 0 HA GLU A 140 19.199 -18.671 0.973 1.00 1.66 H new ATOM 0 HB2 GLU A 140 17.102 -19.480 -0.217 1.00 1.84 H new ATOM 0 HB3 GLU A 140 17.477 -18.351 -1.504 1.00 1.84 H new ATOM 0 HG2 GLU A 140 19.701 -19.485 -1.820 1.00 2.61 H new ATOM 0 HG3 GLU A 140 19.272 -20.639 -0.574 1.00 2.61 H new ATOM 2137 N ILE A 141 19.068 -15.955 -0.892 1.00 1.49 N ATOM 2138 CA ILE A 141 19.879 -14.928 -1.528 1.00 1.52 C ATOM 2139 C ILE A 141 20.680 -14.185 -0.458 1.00 1.52 C ATOM 2140 O ILE A 141 21.843 -13.843 -0.666 1.00 1.64 O ATOM 2141 CB ILE A 141 19.006 -13.953 -2.340 1.00 1.43 C ATOM 2142 CG1 ILE A 141 17.909 -14.672 -3.140 1.00 1.28 C ATOM 2143 CG2 ILE A 141 19.936 -13.199 -3.293 1.00 1.60 C ATOM 2144 CD1 ILE A 141 16.981 -13.702 -3.873 1.00 1.40 C ATOM 0 H ILE A 141 18.072 -15.738 -0.862 1.00 1.49 H new ATOM 0 HA ILE A 141 20.568 -15.402 -2.227 1.00 1.52 H new ATOM 0 HB ILE A 141 18.494 -13.277 -1.655 1.00 1.43 H new ATOM 0 HG12 ILE A 141 18.373 -15.342 -3.864 1.00 1.28 H new ATOM 0 HG13 ILE A 141 17.320 -15.292 -2.464 1.00 1.28 H new ATOM 0 HG21 ILE A 141 19.354 -12.496 -3.889 1.00 1.60 H new ATOM 0 HG22 ILE A 141 20.684 -12.655 -2.717 1.00 1.60 H new ATOM 0 HG23 ILE A 141 20.433 -13.909 -3.954 1.00 1.60 H new ATOM 0 HD11 ILE A 141 16.226 -14.265 -4.421 1.00 1.40 H new ATOM 0 HD12 ILE A 141 16.493 -13.049 -3.150 1.00 1.40 H new ATOM 0 HD13 ILE A 141 17.562 -13.100 -4.571 1.00 1.40 H new ATOM 2156 N GLY A 142 20.031 -13.919 0.675 1.00 1.42 N ATOM 2157 CA GLY A 142 20.593 -13.213 1.811 1.00 1.39 C ATOM 2158 C GLY A 142 20.003 -11.813 1.929 1.00 1.28 C ATOM 2159 O GLY A 142 20.696 -10.896 2.370 1.00 1.36 O ATOM 0 H GLY A 142 19.063 -14.203 0.826 1.00 1.42 H new ATOM 0 HA2 GLY A 142 20.396 -13.773 2.725 1.00 1.39 H new ATOM 0 HA3 GLY A 142 21.676 -13.148 1.704 1.00 1.39 H new ATOM 2163 N PHE A 143 18.725 -11.640 1.569 1.00 1.12 N ATOM 2164 CA PHE A 143 17.978 -10.447 1.960 1.00 1.00 C ATOM 2165 C PHE A 143 17.120 -10.797 3.175 1.00 0.85 C ATOM 2166 O PHE A 143 17.104 -11.946 3.606 1.00 0.88 O ATOM 2167 CB PHE A 143 17.124 -9.943 0.791 1.00 1.04 C ATOM 2168 CG PHE A 143 17.877 -9.761 -0.512 1.00 1.27 C ATOM 2169 CD1 PHE A 143 19.058 -8.995 -0.545 1.00 1.70 C ATOM 2170 CD2 PHE A 143 17.421 -10.389 -1.685 1.00 2.80 C ATOM 2171 CE1 PHE A 143 19.798 -8.891 -1.734 1.00 1.74 C ATOM 2172 CE2 PHE A 143 18.150 -10.265 -2.878 1.00 3.03 C ATOM 2173 CZ PHE A 143 19.351 -9.541 -2.899 1.00 1.76 C ATOM 0 H PHE A 143 18.193 -12.308 1.011 1.00 1.12 H new ATOM 0 HA PHE A 143 18.661 -9.640 2.225 1.00 1.00 H new ATOM 0 HB2 PHE A 143 16.306 -10.645 0.627 1.00 1.04 H new ATOM 0 HB3 PHE A 143 16.675 -8.990 1.071 1.00 1.04 H new ATOM 0 HD1 PHE A 143 19.395 -8.486 0.346 1.00 1.70 H new ATOM 0 HD2 PHE A 143 16.509 -10.967 -1.668 1.00 2.80 H new ATOM 0 HE1 PHE A 143 20.710 -8.312 -1.754 1.00 1.74 H new ATOM 0 HE2 PHE A 143 17.785 -10.729 -3.783 1.00 3.03 H new ATOM 0 HZ PHE A 143 19.932 -9.483 -3.808 1.00 1.76 H new ATOM 2183 N HIS A 144 16.397 -9.815 3.719 1.00 0.86 N ATOM 2184 CA HIS A 144 15.485 -10.015 4.831 1.00 0.90 C ATOM 2185 C HIS A 144 14.276 -9.137 4.548 1.00 0.89 C ATOM 2186 O HIS A 144 14.439 -7.928 4.378 1.00 0.93 O ATOM 2187 CB HIS A 144 16.188 -9.644 6.141 1.00 1.00 C ATOM 2188 CG HIS A 144 15.317 -9.640 7.375 1.00 1.94 C ATOM 2189 ND1 HIS A 144 15.608 -8.979 8.548 1.00 2.87 N ATOM 2190 CD2 HIS A 144 14.115 -10.277 7.551 1.00 3.33 C ATOM 2191 CE1 HIS A 144 14.591 -9.193 9.400 1.00 4.20 C ATOM 2192 NE2 HIS A 144 13.649 -9.961 8.830 1.00 4.52 N ATOM 0 H HIS A 144 16.434 -8.850 3.391 1.00 0.86 H new ATOM 0 HA HIS A 144 15.169 -11.053 4.936 1.00 0.90 H new ATOM 0 HB2 HIS A 144 17.009 -10.342 6.301 1.00 1.00 H new ATOM 0 HB3 HIS A 144 16.629 -8.654 6.027 1.00 1.00 H new ATOM 0 HD1 HIS A 144 16.445 -8.427 8.736 1.00 2.87 H new ATOM 0 HD2 HIS A 144 13.618 -10.909 6.830 1.00 3.33 H new ATOM 0 HE1 HIS A 144 14.539 -8.801 10.405 1.00 4.20 H new ATOM 2200 N ALA A 145 13.097 -9.759 4.455 1.00 0.96 N ATOM 2201 CA ALA A 145 11.823 -9.117 4.180 1.00 1.02 C ATOM 2202 C ALA A 145 10.985 -9.118 5.462 1.00 1.23 C ATOM 2203 O ALA A 145 10.553 -10.184 5.892 1.00 1.37 O ATOM 2204 CB ALA A 145 11.116 -9.866 3.046 1.00 1.01 C ATOM 0 H ALA A 145 13.008 -10.768 4.576 1.00 0.96 H new ATOM 0 HA ALA A 145 11.969 -8.084 3.863 1.00 1.02 H new ATOM 0 HB1 ALA A 145 10.159 -9.388 2.836 1.00 1.01 H new ATOM 0 HB2 ALA A 145 11.738 -9.842 2.151 1.00 1.01 H new ATOM 0 HB3 ALA A 145 10.947 -10.901 3.343 1.00 1.01 H new ATOM 2210 N SER A 146 10.759 -7.948 6.071 1.00 1.37 N ATOM 2211 CA SER A 146 9.928 -7.808 7.270 1.00 1.59 C ATOM 2212 C SER A 146 8.905 -6.693 7.096 1.00 1.61 C ATOM 2213 O SER A 146 9.262 -5.619 6.632 1.00 1.62 O ATOM 2214 CB SER A 146 10.796 -7.543 8.508 1.00 1.89 C ATOM 2215 OG SER A 146 11.165 -8.757 9.132 1.00 2.86 O ATOM 0 H SER A 146 11.151 -7.066 5.742 1.00 1.37 H new ATOM 0 HA SER A 146 9.393 -8.747 7.416 1.00 1.59 H new ATOM 0 HB2 SER A 146 11.690 -6.991 8.219 1.00 1.89 H new ATOM 0 HB3 SER A 146 10.249 -6.918 9.214 1.00 1.89 H new ATOM 0 HG SER A 146 12.133 -8.887 9.047 1.00 2.86 H new ATOM 2221 N LEU A 147 7.651 -6.966 7.475 1.00 1.83 N ATOM 2222 CA LEU A 147 6.518 -6.059 7.468 1.00 2.06 C ATOM 2223 C LEU A 147 6.960 -4.667 7.881 1.00 2.01 C ATOM 2224 O LEU A 147 7.639 -4.488 8.891 1.00 2.31 O ATOM 2225 CB LEU A 147 5.391 -6.586 8.370 1.00 2.82 C ATOM 2226 CG LEU A 147 5.802 -6.745 9.847 1.00 3.54 C ATOM 2227 CD1 LEU A 147 5.286 -5.596 10.726 1.00 3.96 C ATOM 2228 CD2 LEU A 147 5.247 -8.060 10.407 1.00 4.32 C ATOM 0 H LEU A 147 7.393 -7.892 7.816 1.00 1.83 H new ATOM 0 HA LEU A 147 6.121 -5.999 6.455 1.00 2.06 H new ATOM 0 HB2 LEU A 147 4.541 -5.906 8.310 1.00 2.82 H new ATOM 0 HB3 LEU A 147 5.055 -7.551 7.990 1.00 2.82 H new ATOM 0 HG LEU A 147 6.892 -6.738 9.870 1.00 3.54 H new ATOM 0 HD11 LEU A 147 5.603 -5.756 11.757 1.00 3.96 H new ATOM 0 HD12 LEU A 147 5.691 -4.651 10.364 1.00 3.96 H new ATOM 0 HD13 LEU A 147 4.197 -5.565 10.682 1.00 3.96 H new ATOM 0 HD21 LEU A 147 5.542 -8.164 11.451 1.00 4.32 H new ATOM 0 HD22 LEU A 147 4.159 -8.055 10.336 1.00 4.32 H new ATOM 0 HD23 LEU A 147 5.644 -8.897 9.832 1.00 4.32 H new ATOM 2240 N ALA A 148 6.604 -3.707 7.046 1.00 2.07 N ATOM 2241 CA ALA A 148 6.947 -2.311 7.240 1.00 2.46 C ATOM 2242 C ALA A 148 5.772 -1.460 7.741 1.00 2.71 C ATOM 2243 O ALA A 148 6.055 -0.362 8.218 1.00 3.30 O ATOM 2244 CB ALA A 148 7.619 -1.765 5.986 1.00 3.04 C ATOM 0 H ALA A 148 6.060 -3.879 6.201 1.00 2.07 H new ATOM 0 HA ALA A 148 7.670 -2.247 8.053 1.00 2.46 H new ATOM 0 HB1 ALA A 148 7.874 -0.716 6.137 1.00 3.04 H new ATOM 0 HB2 ALA A 148 8.526 -2.334 5.782 1.00 3.04 H new ATOM 0 HB3 ALA A 148 6.938 -1.854 5.140 1.00 3.04 H new ATOM 2250 N GLN A 149 4.530 -1.988 7.713 1.00 3.08 N ATOM 2251 CA GLN A 149 3.366 -1.691 8.571 1.00 4.08 C ATOM 2252 C GLN A 149 2.034 -1.521 7.809 1.00 5.52 C ATOM 2253 O GLN A 149 0.969 -1.703 8.456 1.00 6.85 O ATOM 2254 CB GLN A 149 3.665 -0.511 9.498 1.00 4.21 C ATOM 2255 CG GLN A 149 2.601 -0.109 10.522 1.00 5.10 C ATOM 2256 CD GLN A 149 2.192 -1.245 11.454 1.00 5.24 C ATOM 2257 OE1 GLN A 149 2.783 -1.449 12.509 1.00 5.96 O ATOM 2258 NE2 GLN A 149 1.151 -1.980 11.082 1.00 5.23 N ATOM 2259 OXT GLN A 149 2.054 -1.206 6.606 1.00 5.92 O ATOM 0 H GLN A 149 4.296 -2.701 7.022 1.00 3.08 H new ATOM 0 HA GLN A 149 3.208 -2.579 9.183 1.00 4.08 H new ATOM 0 HB2 GLN A 149 4.582 -0.739 10.042 1.00 4.21 H new ATOM 0 HB3 GLN A 149 3.872 0.358 8.874 1.00 4.21 H new ATOM 0 HG2 GLN A 149 2.978 0.722 11.119 1.00 5.10 H new ATOM 0 HG3 GLN A 149 1.719 0.253 9.994 1.00 5.10 H new ATOM 0 HE21 GLN A 149 0.680 -1.786 10.198 1.00 5.23 H new ATOM 0 HE22 GLN A 149 0.823 -2.738 11.680 1.00 5.23 H new TER 2268 GLN A 149