USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1139 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 76 SER OG : rot -67:sc= -0.501 USER MOD Set 1.2: A 79 GLN : amide:sc= -4.95! K(o=-5.4!,f=-3.7) USER MOD Set 2.1: A 19 ASN : amide:sc= -1.25! C(o=-1.7!,f=-14!) USER MOD Set 2.2: A 22 LYS NZ :NH3+ -127:sc= -0.429! (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -154:sc= -0.0239 (180deg=-0.574) USER MOD Single : A 2 HIS : no HD1:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.46) USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= -0.0926 (180deg=-2.55!) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.197) USER MOD Single : A 24 THR OG1 : rot 65:sc= 0.16 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -7.28! K(o=-7.3!,f=0.021) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc=-0.00533 (180deg=-0.219) USER MOD Single : A 32 HIS : no HD1:sc= -3.55 K(o=-3.6,f=-9!) USER MOD Single : A 34 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -6.85! C(o=-6.9!,f=-6.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 46 GLN : amide:sc= -0.969 K(o=-0.97,f=-2.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.864 X(o=-0.86,f=-0.87) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.205 K(o=-0.21,f=-3.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.532 (180deg=-1.76) USER MOD Single : A 92 GLN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 133:sc= -3.65! (180deg=-6.46!) USER MOD Single : A 100 LYS NZ :NH3+ -96:sc= 0.0174 (180deg=-0.37) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 109 CYS SG : rot -38:sc= -0.0911 USER MOD Single : A 112 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.114) USER MOD Single : A 113 SER OG : rot -140:sc= -4.08! USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 123 THR OG1 : rot 77:sc= 0.541 USER MOD Single : A 124 LYS NZ :NH3+ -126:sc= -9.79! (180deg=-13.7!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.823 K(o=-0.82,f=0) USER MOD Single : B 1 ASP N :NH3+ -170:sc= -0.112 (180deg=-0.317) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.914 -17.231 -7.747 1.00 1.51 N ATOM 2 CA ARG A 1 13.399 -17.352 -7.686 1.00 1.47 C ATOM 3 C ARG A 1 13.939 -16.450 -6.574 1.00 1.42 C ATOM 4 O ARG A 1 13.202 -15.704 -5.959 1.00 1.41 O ATOM 5 CB ARG A 1 13.997 -16.929 -9.029 1.00 1.52 C ATOM 6 CG ARG A 1 13.236 -17.619 -10.164 1.00 1.58 C ATOM 7 CD ARG A 1 14.021 -17.480 -11.470 1.00 1.56 C ATOM 8 NE ARG A 1 14.064 -16.046 -11.874 1.00 1.55 N ATOM 9 CZ ARG A 1 14.914 -15.650 -12.781 1.00 1.55 C ATOM 10 NH1 ARG A 1 15.726 -16.510 -13.334 1.00 1.57 N ATOM 11 NH2 ARG A 1 14.952 -14.395 -13.136 1.00 1.54 N ATOM 0 H1 ARG A 1 11.511 -18.102 -8.147 1.00 1.51 H new ATOM 0 H2 ARG A 1 11.538 -17.084 -6.789 1.00 1.51 H new ATOM 0 H3 ARG A 1 11.656 -16.423 -8.348 1.00 1.51 H new ATOM 0 HA ARG A 1 13.674 -18.386 -7.476 1.00 1.47 H new ATOM 0 HB2 ARG A 1 13.937 -15.846 -9.142 1.00 1.52 H new ATOM 0 HB3 ARG A 1 15.053 -17.196 -9.070 1.00 1.52 H new ATOM 0 HG2 ARG A 1 13.088 -18.673 -9.928 1.00 1.58 H new ATOM 0 HG3 ARG A 1 12.247 -17.175 -10.274 1.00 1.58 H new ATOM 0 HD2 ARG A 1 15.033 -17.863 -11.341 1.00 1.56 H new ATOM 0 HD3 ARG A 1 13.553 -18.076 -12.253 1.00 1.56 H new ATOM 0 HE ARG A 1 13.429 -15.375 -11.442 1.00 1.55 H new ATOM 0 HH11 ARG A 1 15.696 -17.491 -13.057 1.00 1.57 H new ATOM 0 HH12 ARG A 1 16.391 -16.201 -14.043 1.00 1.57 H new ATOM 0 HH21 ARG A 1 14.317 -13.723 -12.704 1.00 1.54 H new ATOM 0 HH22 ARG A 1 15.617 -14.085 -13.845 1.00 1.54 H new ATOM 27 N HIS A 2 15.223 -16.516 -6.311 1.00 1.39 N ATOM 28 CA HIS A 2 15.835 -15.669 -5.234 1.00 1.35 C ATOM 29 C HIS A 2 16.922 -14.779 -5.840 1.00 1.38 C ATOM 30 O HIS A 2 17.902 -15.257 -6.376 1.00 1.44 O ATOM 31 CB HIS A 2 16.461 -16.576 -4.172 1.00 1.31 C ATOM 32 CG HIS A 2 17.159 -15.733 -3.140 1.00 1.26 C ATOM 33 ND1 HIS A 2 16.511 -15.256 -2.012 1.00 1.27 N ATOM 34 CD2 HIS A 2 18.449 -15.270 -3.055 1.00 1.20 C ATOM 35 CE1 HIS A 2 17.404 -14.542 -1.303 1.00 1.22 C ATOM 36 NE2 HIS A 2 18.601 -14.518 -1.894 1.00 1.17 N ATOM 0 H HIS A 2 15.879 -17.125 -6.800 1.00 1.39 H new ATOM 0 HA HIS A 2 15.065 -15.046 -4.779 1.00 1.35 H new ATOM 0 HB2 HIS A 2 15.691 -17.185 -3.699 1.00 1.31 H new ATOM 0 HB3 HIS A 2 17.169 -17.262 -4.636 1.00 1.31 H new ATOM 0 HD2 HIS A 2 19.227 -15.461 -3.779 1.00 1.20 H new ATOM 0 HE1 HIS A 2 17.180 -14.048 -0.369 1.00 1.22 H new ATOM 0 HE2 HIS A 2 19.445 -14.049 -1.565 1.00 1.17 H new ATOM 44 N GLU A 3 16.757 -13.482 -5.753 1.00 1.36 N ATOM 45 CA GLU A 3 17.777 -12.543 -6.315 1.00 1.40 C ATOM 46 C GLU A 3 17.982 -11.380 -5.339 1.00 1.39 C ATOM 47 O GLU A 3 17.037 -10.783 -4.863 1.00 1.34 O ATOM 48 CB GLU A 3 17.289 -12.005 -7.667 1.00 1.39 C ATOM 49 CG GLU A 3 15.790 -11.694 -7.592 1.00 1.41 C ATOM 50 CD GLU A 3 14.987 -12.993 -7.691 1.00 1.40 C ATOM 51 OE1 GLU A 3 15.054 -13.630 -8.730 1.00 1.60 O ATOM 52 OE2 GLU A 3 14.321 -13.330 -6.726 1.00 1.53 O ATOM 0 H GLU A 3 15.954 -13.031 -5.314 1.00 1.36 H new ATOM 0 HA GLU A 3 18.721 -13.068 -6.459 1.00 1.40 H new ATOM 0 HB2 GLU A 3 17.844 -11.105 -7.932 1.00 1.39 H new ATOM 0 HB3 GLU A 3 17.479 -12.739 -8.451 1.00 1.39 H new ATOM 0 HG2 GLU A 3 15.561 -11.184 -6.656 1.00 1.41 H new ATOM 0 HG3 GLU A 3 15.508 -11.019 -8.400 1.00 1.41 H new ATOM 59 N ARG A 4 19.209 -11.055 -5.036 1.00 1.44 N ATOM 60 CA ARG A 4 19.477 -9.939 -4.096 1.00 1.44 C ATOM 61 C ARG A 4 18.836 -8.653 -4.625 1.00 1.43 C ATOM 62 O ARG A 4 19.244 -8.118 -5.636 1.00 1.45 O ATOM 63 CB ARG A 4 20.987 -9.754 -3.989 1.00 1.51 C ATOM 64 CG ARG A 4 21.581 -10.867 -3.125 1.00 1.53 C ATOM 65 CD ARG A 4 23.086 -10.644 -2.981 1.00 1.56 C ATOM 66 NE ARG A 4 23.744 -11.925 -2.599 1.00 1.64 N ATOM 67 CZ ARG A 4 25.038 -12.051 -2.711 1.00 1.68 C ATOM 68 NH1 ARG A 4 25.753 -11.057 -3.162 1.00 1.65 N ATOM 69 NH2 ARG A 4 25.616 -13.171 -2.374 1.00 1.74 N ATOM 0 H ARG A 4 20.040 -11.519 -5.403 1.00 1.44 H new ATOM 0 HA ARG A 4 19.056 -10.164 -3.116 1.00 1.44 H new ATOM 0 HB2 ARG A 4 21.437 -9.771 -4.982 1.00 1.51 H new ATOM 0 HB3 ARG A 4 21.214 -8.781 -3.553 1.00 1.51 H new ATOM 0 HG2 ARG A 4 21.107 -10.874 -2.144 1.00 1.53 H new ATOM 0 HG3 ARG A 4 21.387 -11.839 -3.579 1.00 1.53 H new ATOM 0 HD2 ARG A 4 23.501 -10.275 -3.919 1.00 1.56 H new ATOM 0 HD3 ARG A 4 23.281 -9.883 -2.225 1.00 1.56 H new ATOM 0 HE ARG A 4 23.184 -12.703 -2.250 1.00 1.64 H new ATOM 0 HH11 ARG A 4 25.300 -10.182 -3.427 1.00 1.65 H new ATOM 0 HH12 ARG A 4 26.764 -11.155 -3.250 1.00 1.65 H new ATOM 0 HH21 ARG A 4 25.056 -13.948 -2.023 1.00 1.74 H new ATOM 0 HH22 ARG A 4 26.627 -13.269 -2.462 1.00 1.74 H new ATOM 83 N ASP A 5 17.829 -8.157 -3.945 1.00 1.40 N ATOM 84 CA ASP A 5 17.141 -6.906 -4.391 1.00 1.39 C ATOM 85 C ASP A 5 17.072 -5.920 -3.224 1.00 1.41 C ATOM 86 O ASP A 5 18.036 -5.702 -2.517 1.00 1.46 O ATOM 87 CB ASP A 5 15.720 -7.247 -4.847 1.00 1.32 C ATOM 88 CG ASP A 5 15.168 -6.115 -5.718 1.00 1.32 C ATOM 89 OD1 ASP A 5 15.804 -5.076 -5.777 1.00 1.32 O ATOM 90 OD2 ASP A 5 14.118 -6.307 -6.309 1.00 1.33 O ATOM 0 H ASP A 5 17.452 -8.571 -3.092 1.00 1.40 H new ATOM 0 HA ASP A 5 17.696 -6.458 -5.216 1.00 1.39 H new ATOM 0 HB2 ASP A 5 15.723 -8.181 -5.408 1.00 1.32 H new ATOM 0 HB3 ASP A 5 15.077 -7.398 -3.980 1.00 1.32 H new ATOM 95 N ALA A 6 15.933 -5.317 -3.026 1.00 1.37 N ATOM 96 CA ALA A 6 15.786 -4.335 -1.914 1.00 1.39 C ATOM 97 C ALA A 6 15.512 -5.072 -0.595 1.00 1.40 C ATOM 98 O ALA A 6 16.233 -4.917 0.370 1.00 1.45 O ATOM 99 CB ALA A 6 14.622 -3.387 -2.230 1.00 1.34 C ATOM 0 H ALA A 6 15.094 -5.462 -3.588 1.00 1.37 H new ATOM 0 HA ALA A 6 16.708 -3.763 -1.812 1.00 1.39 H new ATOM 0 HB1 ALA A 6 14.510 -2.666 -1.420 1.00 1.34 H new ATOM 0 HB2 ALA A 6 14.826 -2.858 -3.161 1.00 1.34 H new ATOM 0 HB3 ALA A 6 13.702 -3.962 -2.334 1.00 1.34 H new ATOM 105 N PHE A 7 14.481 -5.875 -0.547 1.00 1.35 N ATOM 106 CA PHE A 7 14.169 -6.621 0.714 1.00 1.36 C ATOM 107 C PHE A 7 15.444 -7.286 1.233 1.00 1.43 C ATOM 108 O PHE A 7 15.618 -7.483 2.415 1.00 1.46 O ATOM 109 CB PHE A 7 13.072 -7.688 0.449 1.00 1.31 C ATOM 110 CG PHE A 7 12.918 -7.897 -1.035 1.00 1.26 C ATOM 111 CD1 PHE A 7 12.178 -6.981 -1.786 1.00 1.21 C ATOM 112 CD2 PHE A 7 13.532 -8.989 -1.661 1.00 1.27 C ATOM 113 CE1 PHE A 7 12.050 -7.158 -3.171 1.00 1.16 C ATOM 114 CE2 PHE A 7 13.399 -9.168 -3.042 1.00 1.23 C ATOM 115 CZ PHE A 7 12.658 -8.252 -3.798 1.00 1.18 C ATOM 0 H PHE A 7 13.842 -6.048 -1.323 1.00 1.35 H new ATOM 0 HA PHE A 7 13.794 -5.925 1.465 1.00 1.36 H new ATOM 0 HB2 PHE A 7 13.340 -8.627 0.933 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.125 -7.365 0.881 1.00 1.31 H new ATOM 0 HD1 PHE A 7 11.706 -6.139 -1.302 1.00 1.21 H new ATOM 0 HD2 PHE A 7 14.108 -9.692 -1.078 1.00 1.27 H new ATOM 0 HE1 PHE A 7 11.482 -6.449 -3.755 1.00 1.16 H new ATOM 0 HE2 PHE A 7 13.868 -10.013 -3.525 1.00 1.23 H new ATOM 0 HZ PHE A 7 12.555 -8.389 -4.864 1.00 1.18 H new ATOM 125 N ASP A 8 16.329 -7.635 0.356 1.00 1.47 N ATOM 126 CA ASP A 8 17.587 -8.301 0.794 1.00 1.54 C ATOM 127 C ASP A 8 18.393 -7.359 1.697 1.00 1.58 C ATOM 128 O ASP A 8 18.536 -7.583 2.879 1.00 1.60 O ATOM 129 CB ASP A 8 18.417 -8.675 -0.461 1.00 1.58 C ATOM 130 CG ASP A 8 18.818 -10.158 -0.425 1.00 1.64 C ATOM 131 OD1 ASP A 8 18.046 -10.972 -0.905 1.00 1.64 O ATOM 132 OD2 ASP A 8 19.888 -10.449 0.082 1.00 1.69 O ATOM 0 H ASP A 8 16.241 -7.490 -0.650 1.00 1.47 H new ATOM 0 HA ASP A 8 17.350 -9.202 1.360 1.00 1.54 H new ATOM 0 HB2 ASP A 8 17.836 -8.472 -1.361 1.00 1.58 H new ATOM 0 HB3 ASP A 8 19.310 -8.053 -0.511 1.00 1.58 H new ATOM 137 N THR A 9 18.933 -6.323 1.133 1.00 1.61 N ATOM 138 CA THR A 9 19.762 -5.370 1.933 1.00 1.66 C ATOM 139 C THR A 9 18.906 -4.584 2.926 1.00 1.62 C ATOM 140 O THR A 9 19.411 -4.032 3.883 1.00 1.65 O ATOM 141 CB THR A 9 20.466 -4.398 0.984 1.00 1.71 C ATOM 142 OG1 THR A 9 21.009 -5.121 -0.111 1.00 1.71 O ATOM 143 CG2 THR A 9 21.589 -3.674 1.728 1.00 1.78 C ATOM 0 H THR A 9 18.839 -6.087 0.145 1.00 1.61 H new ATOM 0 HA THR A 9 20.495 -5.944 2.500 1.00 1.66 H new ATOM 0 HB THR A 9 19.748 -3.664 0.617 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.459 -4.501 -0.722 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.088 -2.983 1.049 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.171 -3.119 2.568 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.310 -4.403 2.098 1.00 1.78 H new ATOM 151 N LEU A 10 17.627 -4.518 2.719 1.00 1.55 N ATOM 152 CA LEU A 10 16.772 -3.751 3.671 1.00 1.52 C ATOM 153 C LEU A 10 16.592 -4.568 4.954 1.00 1.51 C ATOM 154 O LEU A 10 16.764 -4.074 6.051 1.00 1.54 O ATOM 155 CB LEU A 10 15.398 -3.478 3.025 1.00 1.44 C ATOM 156 CG LEU A 10 15.427 -2.156 2.229 1.00 1.43 C ATOM 157 CD1 LEU A 10 14.301 -2.153 1.189 1.00 1.48 C ATOM 158 CD2 LEU A 10 15.226 -0.961 3.172 1.00 1.36 C ATOM 0 H LEU A 10 17.135 -4.956 1.940 1.00 1.55 H new ATOM 0 HA LEU A 10 17.247 -2.800 3.911 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.131 -4.302 2.363 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.630 -3.427 3.797 1.00 1.44 H new ATOM 0 HG LEU A 10 16.395 -2.072 1.735 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.325 -1.218 0.629 1.00 1.48 H new ATOM 0 HD12 LEU A 10 14.436 -2.990 0.504 1.00 1.48 H new ATOM 0 HD13 LEU A 10 13.340 -2.249 1.693 1.00 1.48 H new ATOM 0 HD21 LEU A 10 15.249 -0.036 2.597 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.263 -1.052 3.675 1.00 1.36 H new ATOM 0 HD23 LEU A 10 16.023 -0.946 3.915 1.00 1.36 H new ATOM 170 N PHE A 11 16.235 -5.811 4.816 1.00 1.48 N ATOM 171 CA PHE A 11 16.019 -6.679 6.005 1.00 1.48 C ATOM 172 C PHE A 11 17.343 -7.289 6.460 1.00 1.55 C ATOM 173 O PHE A 11 17.422 -7.892 7.513 1.00 1.57 O ATOM 174 CB PHE A 11 15.035 -7.787 5.612 1.00 1.42 C ATOM 175 CG PHE A 11 13.649 -7.232 5.632 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.211 -6.574 4.513 1.00 1.31 C ATOM 177 CD2 PHE A 11 12.832 -7.345 6.761 1.00 1.34 C ATOM 178 CE1 PHE A 11 11.944 -6.002 4.479 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.550 -6.783 6.741 1.00 1.27 C ATOM 180 CZ PHE A 11 11.105 -6.108 5.596 1.00 1.23 C ATOM 0 H PHE A 11 16.081 -6.270 3.918 1.00 1.48 H new ATOM 0 HA PHE A 11 15.616 -6.092 6.830 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.274 -8.169 4.619 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.115 -8.625 6.304 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.855 -6.499 3.650 1.00 1.31 H new ATOM 0 HD2 PHE A 11 13.187 -7.861 7.641 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.608 -5.479 3.596 1.00 1.25 H new ATOM 0 HE2 PHE A 11 10.907 -6.869 7.604 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.118 -5.671 5.575 1.00 1.23 H new ATOM 190 N ASP A 12 18.380 -7.152 5.672 1.00 1.58 N ATOM 191 CA ASP A 12 19.708 -7.745 6.055 1.00 1.65 C ATOM 192 C ASP A 12 20.713 -6.657 6.437 1.00 1.70 C ATOM 193 O ASP A 12 21.780 -6.954 6.938 1.00 1.75 O ATOM 194 CB ASP A 12 20.272 -8.547 4.880 1.00 1.68 C ATOM 195 CG ASP A 12 19.236 -9.571 4.413 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.123 -9.528 4.911 1.00 1.58 O ATOM 197 OD2 ASP A 12 19.573 -10.382 3.565 1.00 1.65 O ATOM 0 H ASP A 12 18.369 -6.657 4.780 1.00 1.58 H new ATOM 0 HA ASP A 12 19.549 -8.393 6.917 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.531 -7.877 4.060 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.189 -9.054 5.179 1.00 1.68 H new ATOM 202 N HIS A 13 20.416 -5.403 6.211 1.00 1.70 N ATOM 203 CA HIS A 13 21.419 -4.356 6.582 1.00 1.76 C ATOM 204 C HIS A 13 20.782 -2.966 6.713 1.00 1.73 C ATOM 205 O HIS A 13 21.439 -1.967 6.499 1.00 1.77 O ATOM 206 CB HIS A 13 22.509 -4.304 5.508 1.00 1.80 C ATOM 207 CG HIS A 13 23.698 -3.541 6.028 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.288 -2.511 5.312 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.416 -3.647 7.193 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.313 -2.042 6.046 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.436 -2.699 7.202 1.00 1.95 N ATOM 0 H HIS A 13 19.548 -5.063 5.797 1.00 1.70 H new ATOM 0 HA HIS A 13 21.838 -4.625 7.552 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.807 -5.315 5.229 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.123 -3.826 4.608 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.220 -4.357 7.982 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.958 -1.232 5.738 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.128 -2.541 7.934 1.00 1.95 H new ATOM 219 N ALA A 14 19.532 -2.868 7.085 1.00 1.66 N ATOM 220 CA ALA A 14 18.933 -1.505 7.238 1.00 1.63 C ATOM 221 C ALA A 14 17.554 -1.571 7.918 1.00 1.56 C ATOM 222 O ALA A 14 16.553 -1.259 7.304 1.00 1.51 O ATOM 223 CB ALA A 14 18.802 -0.845 5.859 1.00 1.62 C ATOM 0 H ALA A 14 18.911 -3.652 7.286 1.00 1.66 H new ATOM 0 HA ALA A 14 19.592 -0.912 7.872 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.366 0.148 5.971 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.788 -0.759 5.402 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.159 -1.454 5.224 1.00 1.62 H new ATOM 229 N PRO A 15 17.537 -1.943 9.180 1.00 1.57 N ATOM 230 CA PRO A 15 16.283 -2.008 9.947 1.00 1.51 C ATOM 231 C PRO A 15 15.774 -0.577 10.185 1.00 1.50 C ATOM 232 O PRO A 15 14.647 -0.364 10.588 1.00 1.44 O ATOM 233 CB PRO A 15 16.675 -2.684 11.283 1.00 1.54 C ATOM 234 CG PRO A 15 18.208 -2.940 11.248 1.00 1.62 C ATOM 235 CD PRO A 15 18.743 -2.335 9.935 1.00 1.64 C ATOM 0 HA PRO A 15 15.491 -2.558 9.439 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.413 -2.046 12.127 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.133 -3.621 11.412 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.694 -2.481 12.109 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.421 -4.008 11.294 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.385 -1.476 10.128 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.339 -3.059 9.380 1.00 1.64 H new ATOM 243 N ASP A 16 16.614 0.399 9.955 1.00 1.55 N ATOM 244 CA ASP A 16 16.203 1.820 10.185 1.00 1.55 C ATOM 245 C ASP A 16 15.448 2.363 8.967 1.00 1.52 C ATOM 246 O ASP A 16 14.355 2.886 9.082 1.00 1.48 O ATOM 247 CB ASP A 16 17.450 2.672 10.428 1.00 1.63 C ATOM 248 CG ASP A 16 18.357 1.971 11.441 1.00 1.65 C ATOM 249 OD1 ASP A 16 17.928 1.796 12.570 1.00 1.68 O ATOM 250 OD2 ASP A 16 19.466 1.621 11.071 1.00 1.64 O ATOM 0 H ASP A 16 17.568 0.275 9.617 1.00 1.55 H new ATOM 0 HA ASP A 16 15.546 1.862 11.054 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.985 2.828 9.491 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.164 3.656 10.799 1.00 1.63 H new ATOM 255 N LYS A 17 16.017 2.244 7.801 1.00 1.55 N ATOM 256 CA LYS A 17 15.323 2.750 6.586 1.00 1.54 C ATOM 257 C LYS A 17 14.048 1.940 6.397 1.00 1.46 C ATOM 258 O LYS A 17 13.039 2.436 5.942 1.00 1.42 O ATOM 259 CB LYS A 17 16.227 2.584 5.363 1.00 1.59 C ATOM 260 CG LYS A 17 17.390 3.577 5.442 1.00 1.67 C ATOM 261 CD LYS A 17 18.127 3.601 4.102 1.00 1.72 C ATOM 262 CE LYS A 17 19.468 4.322 4.266 1.00 1.80 C ATOM 263 NZ LYS A 17 20.007 4.676 2.922 1.00 1.80 N ATOM 0 H LYS A 17 16.930 1.820 7.637 1.00 1.55 H new ATOM 0 HA LYS A 17 15.086 3.808 6.701 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.609 1.564 5.317 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.655 2.751 4.450 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.017 4.573 5.683 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.074 3.291 6.241 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.291 2.583 3.747 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.520 4.107 3.351 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.338 5.222 4.867 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.174 3.684 4.797 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 20.850 4.101 2.724 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 19.284 4.491 2.198 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 20.263 5.684 2.905 1.00 1.80 H new ATOM 277 N LEU A 18 14.089 0.692 6.766 1.00 1.43 N ATOM 278 CA LEU A 18 12.884 -0.168 6.639 1.00 1.36 C ATOM 279 C LEU A 18 11.707 0.560 7.298 1.00 1.31 C ATOM 280 O LEU A 18 10.584 0.519 6.830 1.00 1.26 O ATOM 281 CB LEU A 18 13.167 -1.509 7.359 1.00 1.35 C ATOM 282 CG LEU A 18 12.760 -2.699 6.482 1.00 1.35 C ATOM 283 CD1 LEU A 18 13.244 -3.997 7.133 1.00 1.28 C ATOM 284 CD2 LEU A 18 11.235 -2.737 6.346 1.00 1.41 C ATOM 0 H LEU A 18 14.911 0.229 7.153 1.00 1.43 H new ATOM 0 HA LEU A 18 12.643 -0.368 5.595 1.00 1.36 H new ATOM 0 HB2 LEU A 18 14.227 -1.578 7.603 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.620 -1.543 8.301 1.00 1.35 H new ATOM 0 HG LEU A 18 13.210 -2.594 5.495 1.00 1.35 H new ATOM 0 HD11 LEU A 18 12.956 -4.845 6.512 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.329 -3.972 7.232 1.00 1.28 H new ATOM 0 HD13 LEU A 18 12.792 -4.100 8.119 1.00 1.28 H new ATOM 0 HD21 LEU A 18 10.946 -3.583 5.722 1.00 1.41 H new ATOM 0 HD22 LEU A 18 10.784 -2.843 7.333 1.00 1.41 H new ATOM 0 HD23 LEU A 18 10.888 -1.812 5.886 1.00 1.41 H new ATOM 296 N ASN A 19 11.973 1.235 8.382 1.00 1.33 N ATOM 297 CA ASN A 19 10.892 1.979 9.084 1.00 1.29 C ATOM 298 C ASN A 19 10.518 3.210 8.261 1.00 1.30 C ATOM 299 O ASN A 19 9.369 3.419 7.924 1.00 1.25 O ATOM 300 CB ASN A 19 11.388 2.416 10.465 1.00 1.32 C ATOM 301 CG ASN A 19 10.227 3.015 11.262 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.163 2.433 11.337 1.00 1.29 O ATOM 303 ND2 ASN A 19 10.389 4.161 11.865 1.00 1.22 N ATOM 0 H ASN A 19 12.895 1.303 8.812 1.00 1.33 H new ATOM 0 HA ASN A 19 10.019 1.338 9.202 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.807 1.563 10.999 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.187 3.150 10.360 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.622 4.569 12.400 1.00 1.22 H new ATOM 0 HD22 ASN A 19 11.283 4.649 11.802 1.00 1.22 H new ATOM 310 N VAL A 20 11.480 4.027 7.932 1.00 1.36 N ATOM 311 CA VAL A 20 11.176 5.244 7.127 1.00 1.38 C ATOM 312 C VAL A 20 10.580 4.833 5.777 1.00 1.34 C ATOM 313 O VAL A 20 9.796 5.552 5.190 1.00 1.32 O ATOM 314 CB VAL A 20 12.463 6.039 6.898 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.116 7.449 6.415 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.242 6.130 8.212 1.00 1.50 C ATOM 0 H VAL A 20 12.461 3.906 8.185 1.00 1.36 H new ATOM 0 HA VAL A 20 10.458 5.863 7.665 1.00 1.38 H new ATOM 0 HB VAL A 20 13.071 5.537 6.145 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.034 8.014 6.252 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.558 7.387 5.481 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.509 7.952 7.167 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.160 6.696 8.052 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.632 6.632 8.963 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.490 5.127 8.558 1.00 1.50 H new ATOM 326 N VAL A 21 10.943 3.681 5.279 1.00 1.33 N ATOM 327 CA VAL A 21 10.392 3.230 3.968 1.00 1.30 C ATOM 328 C VAL A 21 8.883 2.981 4.112 1.00 1.22 C ATOM 329 O VAL A 21 8.095 3.406 3.286 1.00 1.19 O ATOM 330 CB VAL A 21 11.115 1.948 3.525 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.337 1.266 2.393 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.524 2.306 3.027 1.00 1.38 C ATOM 0 H VAL A 21 11.596 3.034 5.722 1.00 1.33 H new ATOM 0 HA VAL A 21 10.550 3.998 3.211 1.00 1.30 H new ATOM 0 HB VAL A 21 11.182 1.266 4.373 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.859 0.359 2.088 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.337 1.009 2.742 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.261 1.945 1.543 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.040 1.399 2.712 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.448 2.992 2.183 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.085 2.781 3.832 1.00 1.38 H new ATOM 342 N LYS A 22 8.461 2.326 5.164 1.00 1.19 N ATOM 343 CA LYS A 22 7.013 2.102 5.342 1.00 1.12 C ATOM 344 C LYS A 22 6.371 3.480 5.453 1.00 1.12 C ATOM 345 O LYS A 22 5.353 3.737 4.870 1.00 1.09 O ATOM 346 CB LYS A 22 6.797 1.256 6.614 1.00 1.09 C ATOM 347 CG LYS A 22 5.369 1.434 7.203 1.00 1.03 C ATOM 348 CD LYS A 22 5.424 1.371 8.736 1.00 1.03 C ATOM 349 CE LYS A 22 6.000 2.685 9.296 1.00 1.09 C ATOM 350 NZ LYS A 22 6.903 2.378 10.441 1.00 1.14 N ATOM 0 H LYS A 22 9.059 1.943 5.897 1.00 1.19 H new ATOM 0 HA LYS A 22 6.564 1.559 4.511 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.964 0.204 6.381 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.535 1.537 7.365 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.951 2.389 6.884 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.709 0.655 6.822 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.425 1.202 9.137 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.041 0.530 9.052 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.548 3.216 8.518 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.192 3.341 9.621 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.616 2.938 11.269 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.842 1.365 10.670 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.882 2.616 10.184 1.00 1.14 H new ATOM 364 N LYS A 23 6.966 4.353 6.215 1.00 1.17 N ATOM 365 CA LYS A 23 6.405 5.731 6.396 1.00 1.18 C ATOM 366 C LYS A 23 6.274 6.456 5.047 1.00 1.20 C ATOM 367 O LYS A 23 5.450 7.336 4.884 1.00 1.20 O ATOM 368 CB LYS A 23 7.335 6.544 7.302 1.00 1.25 C ATOM 369 CG LYS A 23 7.320 5.969 8.723 1.00 1.23 C ATOM 370 CD LYS A 23 7.887 7.001 9.702 1.00 1.29 C ATOM 371 CE LYS A 23 7.761 6.470 11.131 1.00 1.36 C ATOM 372 NZ LYS A 23 6.336 6.537 11.561 1.00 1.39 N ATOM 0 H LYS A 23 7.828 4.173 6.729 1.00 1.17 H new ATOM 0 HA LYS A 23 5.416 5.639 6.845 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.350 6.526 6.905 1.00 1.25 H new ATOM 0 HB3 LYS A 23 7.018 7.587 7.320 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.302 5.704 9.008 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.910 5.054 8.762 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.932 7.204 9.469 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.350 7.944 9.604 1.00 1.29 H new ATOM 0 HE2 LYS A 23 8.119 5.442 11.181 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.384 7.058 11.805 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 6.282 6.457 12.597 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 5.925 7.444 11.262 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 5.805 5.756 11.125 1.00 1.39 H new ATOM 386 N THR A 24 7.066 6.103 4.077 1.00 1.22 N ATOM 387 CA THR A 24 6.958 6.791 2.756 1.00 1.24 C ATOM 388 C THR A 24 5.742 6.239 2.044 1.00 1.18 C ATOM 389 O THR A 24 5.035 6.933 1.337 1.00 1.18 O ATOM 390 CB THR A 24 8.216 6.523 1.928 1.00 1.30 C ATOM 391 OG1 THR A 24 9.363 6.778 2.725 1.00 1.36 O ATOM 392 CG2 THR A 24 8.227 7.437 0.702 1.00 1.31 C ATOM 0 H THR A 24 7.778 5.375 4.136 1.00 1.22 H new ATOM 0 HA THR A 24 6.860 7.868 2.893 1.00 1.24 H new ATOM 0 HB THR A 24 8.224 5.484 1.600 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.397 6.136 3.464 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.124 7.245 0.113 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.344 7.240 0.094 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.221 8.478 1.024 1.00 1.31 H new ATOM 400 N LEU A 25 5.472 4.995 2.259 1.00 1.13 N ATOM 401 CA LEU A 25 4.284 4.389 1.641 1.00 1.07 C ATOM 402 C LEU A 25 3.062 4.949 2.366 1.00 1.03 C ATOM 403 O LEU A 25 1.995 5.079 1.800 1.00 0.99 O ATOM 404 CB LEU A 25 4.396 2.881 1.791 1.00 1.03 C ATOM 405 CG LEU A 25 5.566 2.401 0.926 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.868 0.947 1.271 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.237 2.554 -0.583 1.00 1.09 C ATOM 0 H LEU A 25 6.028 4.369 2.841 1.00 1.13 H new ATOM 0 HA LEU A 25 4.197 4.617 0.579 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.560 2.614 2.835 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.470 2.398 1.480 1.00 1.03 H new ATOM 0 HG LEU A 25 6.444 3.013 1.131 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.700 0.594 0.661 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.133 0.871 2.326 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.988 0.336 1.073 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.083 2.207 -1.177 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.355 1.960 -0.825 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.042 3.602 -0.808 1.00 1.09 H new ATOM 419 N ILE A 26 3.229 5.340 3.609 1.00 1.04 N ATOM 420 CA ILE A 26 2.099 5.952 4.344 1.00 1.01 C ATOM 421 C ILE A 26 1.788 7.258 3.637 1.00 1.05 C ATOM 422 O ILE A 26 0.660 7.621 3.491 1.00 1.02 O ATOM 423 CB ILE A 26 2.490 6.232 5.811 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.736 4.900 6.520 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.360 6.981 6.543 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.933 5.129 8.022 1.00 1.01 C ATOM 0 H ILE A 26 4.099 5.258 4.135 1.00 1.04 H new ATOM 0 HA ILE A 26 1.237 5.285 4.357 1.00 1.01 H new ATOM 0 HB ILE A 26 3.389 6.849 5.823 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.892 4.230 6.354 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.616 4.413 6.100 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.657 7.168 7.575 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.169 7.930 6.043 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.454 6.375 6.530 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.107 4.173 8.516 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.791 5.782 8.181 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.041 5.595 8.439 1.00 1.01 H new ATOM 438 N THR A 27 2.796 7.963 3.199 1.00 1.11 N ATOM 439 CA THR A 27 2.556 9.257 2.494 1.00 1.15 C ATOM 440 C THR A 27 1.779 9.002 1.186 1.00 1.12 C ATOM 441 O THR A 27 0.906 9.763 0.813 1.00 1.12 O ATOM 442 CB THR A 27 3.916 9.921 2.204 1.00 1.23 C ATOM 443 OG1 THR A 27 4.391 10.541 3.390 1.00 1.27 O ATOM 444 CG2 THR A 27 3.775 10.982 1.105 1.00 1.27 C ATOM 0 H THR A 27 3.776 7.699 3.299 1.00 1.11 H new ATOM 0 HA THR A 27 1.959 9.922 3.118 1.00 1.15 H new ATOM 0 HB THR A 27 4.617 9.157 1.868 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.257 10.964 3.214 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.746 11.440 0.914 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.409 10.513 0.191 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.070 11.748 1.427 1.00 1.27 H new ATOM 452 N PHE A 28 2.086 7.937 0.495 1.00 1.10 N ATOM 453 CA PHE A 28 1.372 7.627 -0.782 1.00 1.07 C ATOM 454 C PHE A 28 -0.132 7.518 -0.503 1.00 1.01 C ATOM 455 O PHE A 28 -0.953 8.187 -1.116 1.00 1.02 O ATOM 456 CB PHE A 28 1.907 6.288 -1.315 1.00 1.05 C ATOM 457 CG PHE A 28 1.324 5.969 -2.691 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.486 6.855 -3.778 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.595 4.782 -2.876 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.919 6.551 -5.016 1.00 1.06 C ATOM 461 CE2 PHE A 28 0.037 4.482 -4.122 1.00 0.96 C ATOM 462 CZ PHE A 28 0.194 5.367 -5.190 1.00 1.00 C ATOM 0 H PHE A 28 2.805 7.263 0.760 1.00 1.10 H new ATOM 0 HA PHE A 28 1.538 8.413 -1.519 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.994 6.327 -1.378 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.656 5.489 -0.617 1.00 1.05 H new ATOM 0 HD1 PHE A 28 2.049 7.768 -3.651 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.465 4.098 -2.051 1.00 0.97 H new ATOM 0 HE1 PHE A 28 1.040 7.233 -5.844 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.516 3.565 -4.259 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.244 5.138 -6.150 1.00 1.00 H new ATOM 472 N VAL A 29 -0.494 6.683 0.426 1.00 0.97 N ATOM 473 CA VAL A 29 -1.931 6.518 0.764 1.00 0.92 C ATOM 474 C VAL A 29 -2.473 7.826 1.350 1.00 0.95 C ATOM 475 O VAL A 29 -3.538 8.278 0.989 1.00 0.94 O ATOM 476 CB VAL A 29 -2.074 5.394 1.792 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.550 5.023 1.950 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.287 4.169 1.318 1.00 0.85 C ATOM 0 H VAL A 29 0.147 6.105 0.969 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.496 6.268 -0.134 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.683 5.731 2.752 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.647 4.222 2.683 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.110 5.895 2.288 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.945 4.687 0.991 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.387 3.367 2.049 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.678 3.835 0.357 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.235 4.432 1.210 1.00 0.85 H new ATOM 488 N ASN A 30 -1.742 8.437 2.248 1.00 0.99 N ATOM 489 CA ASN A 30 -2.207 9.714 2.865 1.00 1.03 C ATOM 490 C ASN A 30 -2.518 10.717 1.763 1.00 1.06 C ATOM 491 O ASN A 30 -3.235 11.656 1.959 1.00 1.09 O ATOM 492 CB ASN A 30 -1.112 10.292 3.781 1.00 1.08 C ATOM 493 CG ASN A 30 -1.738 10.981 4.997 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.885 12.187 5.024 1.00 1.11 O ATOM 495 ND2 ASN A 30 -2.113 10.251 6.009 1.00 1.06 N ATOM 0 H ASN A 30 -0.838 8.103 2.581 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.101 9.519 3.458 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.447 9.494 4.110 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.504 11.005 3.225 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.532 10.691 6.828 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.988 9.239 5.982 1.00 1.06 H new ATOM 502 N LYS A 31 -1.976 10.523 0.606 1.00 1.07 N ATOM 503 CA LYS A 31 -2.240 11.478 -0.502 1.00 1.11 C ATOM 504 C LYS A 31 -3.604 11.153 -1.078 1.00 1.06 C ATOM 505 O LYS A 31 -4.509 11.975 -1.108 1.00 1.08 O ATOM 506 CB LYS A 31 -1.169 11.321 -1.585 1.00 1.13 C ATOM 507 CG LYS A 31 -1.261 12.485 -2.574 1.00 1.18 C ATOM 508 CD LYS A 31 -0.049 12.458 -3.508 1.00 1.19 C ATOM 509 CE LYS A 31 -0.069 13.694 -4.409 1.00 1.23 C ATOM 510 NZ LYS A 31 0.304 14.897 -3.613 1.00 1.29 N ATOM 0 H LYS A 31 -1.359 9.745 0.373 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.216 12.505 -0.136 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.179 11.295 -1.130 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.304 10.375 -2.109 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -2.182 12.412 -3.153 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -1.297 13.432 -2.035 1.00 1.18 H new ATOM 0 HD2 LYS A 31 0.872 12.435 -2.925 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.065 11.553 -4.115 1.00 1.19 H new ATOM 0 HE2 LYS A 31 0.627 13.564 -5.238 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -1.061 13.825 -4.842 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 0.571 15.670 -4.256 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -0.506 15.194 -3.032 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 1.108 14.668 -2.995 1.00 1.29 H new ATOM 524 N HIS A 32 -3.774 9.937 -1.493 1.00 1.01 N ATOM 525 CA HIS A 32 -5.029 9.508 -2.019 1.00 0.97 C ATOM 526 C HIS A 32 -6.070 9.670 -0.921 1.00 0.95 C ATOM 527 O HIS A 32 -7.224 9.927 -1.165 1.00 0.95 O ATOM 528 CB HIS A 32 -4.802 8.058 -2.355 1.00 0.91 C ATOM 529 CG HIS A 32 -4.011 7.945 -3.630 1.00 0.93 C ATOM 530 ND1 HIS A 32 -3.909 6.759 -4.339 1.00 0.89 N ATOM 531 CD2 HIS A 32 -3.253 8.859 -4.318 1.00 0.98 C ATOM 532 CE1 HIS A 32 -3.112 6.988 -5.399 1.00 0.93 C ATOM 533 NE2 HIS A 32 -2.685 8.253 -5.434 1.00 0.98 N ATOM 0 H HIS A 32 -3.051 9.218 -1.477 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.376 10.066 -2.889 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.269 7.566 -1.541 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -5.759 7.547 -2.464 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -3.118 9.893 -4.036 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -2.850 6.240 -6.132 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -2.074 8.682 -6.129 1.00 0.98 H new ATOM 541 N LEU A 33 -5.648 9.549 0.302 1.00 0.95 N ATOM 542 CA LEU A 33 -6.588 9.716 1.438 1.00 0.94 C ATOM 543 C LEU A 33 -6.713 11.207 1.729 1.00 1.01 C ATOM 544 O LEU A 33 -7.803 11.717 1.897 1.00 1.02 O ATOM 545 CB LEU A 33 -6.042 8.971 2.659 1.00 0.92 C ATOM 546 CG LEU A 33 -6.481 7.492 2.646 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.812 6.759 3.821 1.00 0.82 C ATOM 548 CD2 LEU A 33 -8.020 7.373 2.767 1.00 0.84 C ATOM 0 H LEU A 33 -4.685 9.340 0.565 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.569 9.307 1.197 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.954 9.031 2.669 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.396 9.451 3.571 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.176 7.042 1.701 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.118 5.713 3.819 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.729 6.821 3.719 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -6.115 7.223 4.759 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.306 6.321 2.756 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.348 7.828 3.702 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.492 7.886 1.929 1.00 0.84 H new ATOM 560 N ASN A 34 -5.610 11.921 1.775 1.00 1.05 N ATOM 561 CA ASN A 34 -5.694 13.390 2.033 1.00 1.12 C ATOM 562 C ASN A 34 -6.803 13.974 1.152 1.00 1.14 C ATOM 563 O ASN A 34 -7.384 14.993 1.468 1.00 1.18 O ATOM 564 CB ASN A 34 -4.355 14.072 1.705 1.00 1.18 C ATOM 565 CG ASN A 34 -4.541 15.592 1.626 1.00 1.25 C ATOM 566 OD1 ASN A 34 -4.993 16.108 0.623 1.00 1.26 O ATOM 567 ND2 ASN A 34 -4.208 16.333 2.647 1.00 1.29 N ATOM 0 H ASN A 34 -4.668 11.552 1.646 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.916 13.564 3.086 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.617 13.828 2.469 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.969 13.696 0.758 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -4.327 17.345 2.603 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -3.829 15.900 3.489 1.00 1.29 H new ATOM 574 N LYS A 35 -7.126 13.319 0.061 1.00 1.11 N ATOM 575 CA LYS A 35 -8.226 13.849 -0.793 1.00 1.13 C ATOM 576 C LYS A 35 -9.481 13.871 0.084 1.00 1.11 C ATOM 577 O LYS A 35 -10.055 14.909 0.350 1.00 1.16 O ATOM 578 CB LYS A 35 -8.427 12.926 -2.025 1.00 1.10 C ATOM 579 CG LYS A 35 -8.132 13.688 -3.332 1.00 0.97 C ATOM 580 CD LYS A 35 -6.613 13.906 -3.484 1.00 1.01 C ATOM 581 CE LYS A 35 -5.960 12.685 -4.158 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.976 12.871 -5.636 1.00 1.15 N ATOM 0 H LYS A 35 -6.684 12.460 -0.266 1.00 1.11 H new ATOM 0 HA LYS A 35 -8.001 14.847 -1.169 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.770 12.060 -1.947 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.450 12.550 -2.041 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.514 13.126 -4.184 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.647 14.649 -3.327 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.425 14.801 -4.078 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.163 14.073 -2.505 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -4.935 12.566 -3.806 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.497 11.776 -3.889 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.536 12.048 -6.094 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.959 12.965 -5.963 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.445 13.730 -5.884 1.00 1.15 H new ATOM 596 N LEU A 36 -9.878 12.728 0.569 1.00 1.04 N ATOM 597 CA LEU A 36 -11.061 12.664 1.473 1.00 1.02 C ATOM 598 C LEU A 36 -10.641 13.245 2.829 1.00 1.05 C ATOM 599 O LEU A 36 -11.373 13.217 3.796 1.00 1.03 O ATOM 600 CB LEU A 36 -11.471 11.200 1.637 1.00 0.95 C ATOM 601 CG LEU A 36 -12.891 11.085 2.218 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.937 11.599 1.206 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.170 9.613 2.545 1.00 0.89 C ATOM 0 H LEU A 36 -9.432 11.831 0.377 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.902 13.227 1.068 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.428 10.697 0.671 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.764 10.692 2.293 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.961 11.693 3.120 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.934 11.509 1.636 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.735 12.645 0.973 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.881 11.007 0.293 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.174 9.516 2.958 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.093 9.017 1.635 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.442 9.258 3.274 1.00 0.89 H new ATOM 615 N ASN A 37 -9.445 13.759 2.876 1.00 1.11 N ATOM 616 CA ASN A 37 -8.876 14.362 4.111 1.00 1.16 C ATOM 617 C ASN A 37 -8.973 13.423 5.315 1.00 1.11 C ATOM 618 O ASN A 37 -9.673 13.674 6.273 1.00 1.12 O ATOM 619 CB ASN A 37 -9.542 15.696 4.402 1.00 1.22 C ATOM 620 CG ASN A 37 -10.984 15.517 4.887 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.231 15.381 6.069 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.956 15.530 4.017 1.00 1.21 N ATOM 0 H ASN A 37 -8.814 13.786 2.075 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.814 14.531 3.933 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.968 16.232 5.158 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.535 16.310 3.502 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.921 15.426 4.329 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.751 15.644 3.024 1.00 1.21 H new ATOM 629 N LEU A 38 -8.214 12.363 5.273 1.00 1.06 N ATOM 630 CA LEU A 38 -8.170 11.377 6.415 1.00 1.02 C ATOM 631 C LEU A 38 -6.729 11.351 6.953 1.00 1.02 C ATOM 632 O LEU A 38 -6.010 12.327 6.865 1.00 1.06 O ATOM 633 CB LEU A 38 -8.579 9.968 5.920 1.00 0.98 C ATOM 634 CG LEU A 38 -10.110 9.779 5.979 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.591 9.657 7.440 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.814 10.957 5.294 1.00 1.02 C ATOM 0 H LEU A 38 -7.609 12.126 4.487 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.866 11.673 7.200 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.231 9.824 4.897 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.092 9.209 6.532 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.361 8.857 5.454 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.673 9.525 7.457 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.113 8.798 7.910 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.328 10.563 7.987 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.893 10.813 5.341 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.549 11.884 5.802 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.501 11.012 4.251 1.00 1.02 H new ATOM 648 N GLU A 39 -6.302 10.251 7.502 1.00 1.02 N ATOM 649 CA GLU A 39 -4.912 10.167 8.038 1.00 1.03 C ATOM 650 C GLU A 39 -4.554 8.705 8.331 1.00 0.98 C ATOM 651 O GLU A 39 -5.153 8.067 9.174 1.00 0.95 O ATOM 652 CB GLU A 39 -4.814 10.984 9.329 1.00 1.08 C ATOM 653 CG GLU A 39 -3.341 11.184 9.694 1.00 1.11 C ATOM 654 CD GLU A 39 -3.240 11.909 11.037 1.00 1.16 C ATOM 655 OE1 GLU A 39 -4.225 12.506 11.441 1.00 1.24 O ATOM 656 OE2 GLU A 39 -2.181 11.854 11.639 1.00 1.13 O ATOM 0 H GLU A 39 -6.856 9.401 7.604 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.217 10.565 7.298 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -5.302 11.950 9.199 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.334 10.470 10.138 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.836 10.220 9.751 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.839 11.762 8.918 1.00 1.11 H new ATOM 663 N VAL A 40 -3.575 8.171 7.640 1.00 0.98 N ATOM 664 CA VAL A 40 -3.161 6.747 7.869 1.00 0.94 C ATOM 665 C VAL A 40 -1.879 6.724 8.711 1.00 0.95 C ATOM 666 O VAL A 40 -1.151 7.695 8.773 1.00 0.99 O ATOM 667 CB VAL A 40 -2.909 6.080 6.510 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.002 6.980 5.644 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.253 4.707 6.722 1.00 0.89 C ATOM 0 H VAL A 40 -3.041 8.662 6.923 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.945 6.206 8.399 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.859 5.941 5.993 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.827 6.501 4.681 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.488 7.943 5.487 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.050 7.133 6.152 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.075 4.236 5.755 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.305 4.834 7.244 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -2.913 4.076 7.317 1.00 0.89 H new ATOM 679 N THR A 41 -1.602 5.624 9.370 1.00 0.93 N ATOM 680 CA THR A 41 -0.371 5.544 10.221 1.00 0.95 C ATOM 681 C THR A 41 0.228 4.133 10.163 1.00 0.91 C ATOM 682 O THR A 41 1.421 3.956 10.312 1.00 0.96 O ATOM 683 CB THR A 41 -0.743 5.859 11.675 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.712 6.898 11.700 1.00 1.12 O ATOM 685 CG2 THR A 41 0.502 6.302 12.450 1.00 1.20 C ATOM 0 H THR A 41 -2.174 4.779 9.356 1.00 0.93 H new ATOM 0 HA THR A 41 0.360 6.262 9.849 1.00 0.95 H new ATOM 0 HB THR A 41 -1.153 4.963 12.142 1.00 1.01 H new ATOM 0 HG1 THR A 41 -1.952 7.099 12.629 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.229 6.524 13.482 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.243 5.503 12.435 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.921 7.195 11.986 1.00 1.20 H new ATOM 693 N GLU A 42 -0.592 3.128 9.976 1.00 0.86 N ATOM 694 CA GLU A 42 -0.073 1.720 9.937 1.00 0.83 C ATOM 695 C GLU A 42 -0.281 1.125 8.551 1.00 0.81 C ATOM 696 O GLU A 42 -1.216 0.390 8.315 1.00 0.88 O ATOM 697 CB GLU A 42 -0.830 0.876 10.963 1.00 0.78 C ATOM 698 CG GLU A 42 -0.834 1.597 12.313 1.00 0.77 C ATOM 699 CD GLU A 42 -1.433 0.679 13.379 1.00 0.78 C ATOM 700 OE1 GLU A 42 -0.864 -0.375 13.614 1.00 0.84 O ATOM 701 OE2 GLU A 42 -2.451 1.044 13.944 1.00 0.83 O ATOM 0 H GLU A 42 -1.600 3.219 9.848 1.00 0.86 H new ATOM 0 HA GLU A 42 0.992 1.725 10.169 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.853 0.706 10.626 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.360 -0.103 11.063 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.182 1.879 12.590 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -1.413 2.518 12.244 1.00 0.77 H new ATOM 708 N LEU A 43 0.599 1.409 7.636 1.00 0.80 N ATOM 709 CA LEU A 43 0.455 0.836 6.276 1.00 0.78 C ATOM 710 C LEU A 43 0.336 -0.684 6.412 1.00 0.74 C ATOM 711 O LEU A 43 -0.501 -1.322 5.803 1.00 0.70 O ATOM 712 CB LEU A 43 1.696 1.234 5.456 1.00 0.86 C ATOM 713 CG LEU A 43 1.772 0.476 4.119 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.209 -0.997 4.329 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.405 0.553 3.408 1.00 0.90 C ATOM 0 H LEU A 43 1.410 2.012 7.772 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.433 1.210 5.767 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.674 2.307 5.264 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.595 1.033 6.038 1.00 0.86 H new ATOM 0 HG LEU A 43 2.528 0.947 3.491 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.253 -1.504 3.365 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.193 -1.021 4.797 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.489 -1.502 4.973 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.457 0.017 2.461 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.360 0.101 4.040 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.151 1.596 3.221 1.00 0.90 H new ATOM 727 N GLU A 44 1.179 -1.273 7.204 1.00 0.79 N ATOM 728 CA GLU A 44 1.129 -2.757 7.369 1.00 0.77 C ATOM 729 C GLU A 44 -0.315 -3.242 7.641 1.00 0.69 C ATOM 730 O GLU A 44 -0.891 -4.020 6.897 1.00 0.70 O ATOM 731 CB GLU A 44 2.035 -3.165 8.556 1.00 0.83 C ATOM 732 CG GLU A 44 2.950 -2.007 8.945 1.00 0.84 C ATOM 733 CD GLU A 44 3.926 -2.467 10.030 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.886 -3.636 10.378 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.697 -1.643 10.493 1.00 1.11 O ATOM 0 H GLU A 44 1.901 -0.798 7.746 1.00 0.79 H new ATOM 0 HA GLU A 44 1.478 -3.219 6.446 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.421 -3.455 9.409 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.633 -4.035 8.284 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.500 -1.656 8.072 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.357 -1.167 9.307 1.00 0.84 H new ATOM 742 N THR A 45 -0.880 -2.808 8.723 1.00 0.65 N ATOM 743 CA THR A 45 -2.253 -3.256 9.094 1.00 0.60 C ATOM 744 C THR A 45 -3.317 -2.541 8.263 1.00 0.58 C ATOM 745 O THR A 45 -4.494 -2.791 8.418 1.00 0.58 O ATOM 746 CB THR A 45 -2.493 -2.961 10.577 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.452 -1.557 10.790 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.410 -3.639 11.418 1.00 0.64 C ATOM 0 H THR A 45 -0.450 -2.155 9.377 1.00 0.65 H new ATOM 0 HA THR A 45 -2.328 -4.326 8.898 1.00 0.60 H new ATOM 0 HB THR A 45 -3.469 -3.346 10.871 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.607 -1.365 11.739 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.583 -3.427 12.473 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.443 -4.716 11.254 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.431 -3.257 11.127 1.00 0.64 H new ATOM 756 N GLN A 46 -2.943 -1.668 7.376 1.00 0.59 N ATOM 757 CA GLN A 46 -3.977 -0.989 6.571 1.00 0.59 C ATOM 758 C GLN A 46 -4.516 -1.992 5.571 1.00 0.54 C ATOM 759 O GLN A 46 -5.607 -1.849 5.056 1.00 0.58 O ATOM 760 CB GLN A 46 -3.385 0.229 5.855 1.00 0.65 C ATOM 761 CG GLN A 46 -3.343 1.431 6.829 1.00 0.66 C ATOM 762 CD GLN A 46 -4.551 2.349 6.601 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.651 2.999 5.579 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.476 2.429 7.517 1.00 1.04 N ATOM 0 H GLN A 46 -1.979 -1.401 7.178 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.782 -0.629 7.212 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.381 0.001 5.498 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.986 0.477 4.980 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.340 1.073 7.858 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.420 1.992 6.684 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.393 1.884 8.375 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.283 3.037 7.375 1.00 1.04 H new ATOM 773 N PHE A 47 -3.768 -3.039 5.318 1.00 0.50 N ATOM 774 CA PHE A 47 -4.240 -4.079 4.391 1.00 0.49 C ATOM 775 C PHE A 47 -4.858 -5.168 5.237 1.00 0.46 C ATOM 776 O PHE A 47 -5.608 -5.993 4.764 1.00 0.49 O ATOM 777 CB PHE A 47 -3.066 -4.636 3.594 1.00 0.54 C ATOM 778 CG PHE A 47 -2.744 -3.706 2.442 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.231 -2.428 2.698 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.958 -4.120 1.121 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.933 -1.567 1.635 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.659 -3.259 0.059 1.00 0.83 C ATOM 783 CZ PHE A 47 -2.147 -1.982 0.316 1.00 0.89 C ATOM 0 H PHE A 47 -2.847 -3.206 5.723 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.964 -3.677 3.683 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.195 -4.746 4.240 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.309 -5.629 3.216 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.065 -2.107 3.716 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.354 -5.105 0.922 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.538 -0.582 1.833 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.823 -3.580 -0.959 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.917 -1.317 -0.503 1.00 0.89 H new ATOM 793 N ALA A 48 -4.567 -5.146 6.503 1.00 0.42 N ATOM 794 CA ALA A 48 -5.153 -6.161 7.425 1.00 0.40 C ATOM 795 C ALA A 48 -6.666 -5.981 7.471 1.00 0.36 C ATOM 796 O ALA A 48 -7.331 -6.389 8.403 1.00 0.36 O ATOM 797 CB ALA A 48 -4.566 -6.013 8.831 1.00 0.42 C ATOM 0 H ALA A 48 -3.946 -4.468 6.944 1.00 0.42 H new ATOM 0 HA ALA A 48 -4.912 -7.158 7.057 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.006 -6.762 9.490 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.486 -6.154 8.791 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.788 -5.017 9.215 1.00 0.42 H new ATOM 803 N ASP A 49 -7.202 -5.370 6.460 1.00 0.34 N ATOM 804 CA ASP A 49 -8.663 -5.136 6.394 1.00 0.32 C ATOM 805 C ASP A 49 -9.014 -4.594 5.004 1.00 0.31 C ATOM 806 O ASP A 49 -10.165 -4.422 4.662 1.00 0.31 O ATOM 807 CB ASP A 49 -9.031 -4.116 7.467 1.00 0.32 C ATOM 808 CG ASP A 49 -8.395 -2.762 7.137 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.678 -2.237 6.076 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.633 -2.275 7.956 1.00 0.36 O ATOM 0 H ASP A 49 -6.678 -5.016 5.660 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.215 -6.060 6.564 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.114 -4.014 7.528 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.688 -4.461 8.442 1.00 0.32 H new ATOM 815 N GLY A 50 -8.015 -4.344 4.200 1.00 0.32 N ATOM 816 CA GLY A 50 -8.249 -3.821 2.819 1.00 0.33 C ATOM 817 C GLY A 50 -9.371 -2.761 2.794 1.00 0.33 C ATOM 818 O GLY A 50 -9.914 -2.450 1.745 1.00 0.34 O ATOM 0 H GLY A 50 -7.034 -4.481 4.443 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.327 -3.385 2.434 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.512 -4.646 2.157 1.00 0.33 H new ATOM 822 N VAL A 51 -9.728 -2.191 3.916 1.00 0.33 N ATOM 823 CA VAL A 51 -10.810 -1.157 3.898 1.00 0.36 C ATOM 824 C VAL A 51 -10.215 0.179 3.458 1.00 0.40 C ATOM 825 O VAL A 51 -10.569 0.725 2.427 1.00 0.42 O ATOM 826 CB VAL A 51 -11.397 -1.002 5.308 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.316 0.226 5.362 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.202 -2.254 5.681 1.00 0.36 C ATOM 0 H VAL A 51 -9.325 -2.391 4.832 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.595 -1.463 3.207 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.578 -0.873 6.016 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.728 0.328 6.366 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.744 1.120 5.112 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.129 0.103 4.647 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.615 -2.136 6.683 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -13.014 -2.390 4.967 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.549 -3.127 5.658 1.00 0.36 H new ATOM 838 N TYR A 52 -9.294 0.702 4.217 1.00 0.41 N ATOM 839 CA TYR A 52 -8.672 1.985 3.820 1.00 0.47 C ATOM 840 C TYR A 52 -8.016 1.769 2.465 1.00 0.47 C ATOM 841 O TYR A 52 -7.620 2.696 1.787 1.00 0.51 O ATOM 842 CB TYR A 52 -7.619 2.394 4.851 1.00 0.49 C ATOM 843 CG TYR A 52 -8.293 2.676 6.173 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.545 1.629 7.067 1.00 0.57 C ATOM 845 CD2 TYR A 52 -8.669 3.984 6.502 1.00 0.48 C ATOM 846 CE1 TYR A 52 -9.171 1.889 8.291 1.00 0.60 C ATOM 847 CE2 TYR A 52 -9.296 4.244 7.727 1.00 0.51 C ATOM 848 CZ TYR A 52 -9.547 3.197 8.621 1.00 0.57 C ATOM 849 OH TYR A 52 -10.165 3.453 9.829 1.00 0.60 O ATOM 0 H TYR A 52 -8.950 0.297 5.088 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.419 2.777 3.765 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.882 1.600 4.968 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.083 3.279 4.508 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -8.256 0.620 6.812 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -8.476 4.792 5.812 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -9.364 1.081 8.981 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -9.586 5.253 7.982 1.00 0.51 H new ATOM 0 HH TYR A 52 -10.358 4.411 9.901 1.00 0.60 H new ATOM 859 N LEU A 53 -7.904 0.531 2.070 1.00 0.43 N ATOM 860 CA LEU A 53 -7.274 0.220 0.760 1.00 0.44 C ATOM 861 C LEU A 53 -8.220 0.621 -0.370 1.00 0.45 C ATOM 862 O LEU A 53 -7.890 1.455 -1.190 1.00 0.50 O ATOM 863 CB LEU A 53 -6.973 -1.278 0.683 1.00 0.41 C ATOM 864 CG LEU A 53 -6.441 -1.665 -0.705 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.315 -0.718 -1.134 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.906 -3.101 -0.654 1.00 0.46 C ATOM 0 H LEU A 53 -8.223 -0.280 2.601 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.343 0.778 0.660 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.240 -1.544 1.444 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.878 -1.845 0.900 1.00 0.41 H new ATOM 0 HG LEU A 53 -7.253 -1.592 -1.428 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.951 -1.008 -2.120 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.694 0.303 -1.173 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.498 -0.775 -0.415 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -5.526 -3.383 -1.636 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.101 -3.163 0.078 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.710 -3.779 -0.367 1.00 0.46 H new ATOM 878 N VAL A 54 -9.397 0.049 -0.432 1.00 0.43 N ATOM 879 CA VAL A 54 -10.323 0.443 -1.528 1.00 0.46 C ATOM 880 C VAL A 54 -10.515 1.961 -1.494 1.00 0.51 C ATOM 881 O VAL A 54 -10.728 2.597 -2.511 1.00 0.55 O ATOM 882 CB VAL A 54 -11.677 -0.246 -1.351 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.662 0.301 -2.391 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.512 -1.756 -1.549 1.00 0.41 C ATOM 0 H VAL A 54 -9.748 -0.658 0.215 1.00 0.43 H new ATOM 0 HA VAL A 54 -9.898 0.140 -2.485 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.058 -0.052 -0.348 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.629 -0.187 -2.269 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.778 1.376 -2.252 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.280 0.104 -3.393 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.477 -2.247 -1.423 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.133 -1.952 -2.552 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -10.808 -2.145 -0.813 1.00 0.41 H new ATOM 894 N LEU A 55 -10.441 2.552 -0.332 1.00 0.52 N ATOM 895 CA LEU A 55 -10.621 4.028 -0.247 1.00 0.58 C ATOM 896 C LEU A 55 -9.570 4.712 -1.134 1.00 0.62 C ATOM 897 O LEU A 55 -9.900 5.440 -2.042 1.00 0.66 O ATOM 898 CB LEU A 55 -10.442 4.483 1.218 1.00 0.59 C ATOM 899 CG LEU A 55 -11.785 4.486 1.986 1.00 0.60 C ATOM 900 CD1 LEU A 55 -12.602 5.740 1.636 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.606 3.224 1.662 1.00 0.67 C ATOM 0 H LEU A 55 -10.265 2.080 0.555 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.620 4.300 -0.588 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.737 3.821 1.721 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.010 5.483 1.238 1.00 0.59 H new ATOM 0 HG LEU A 55 -11.561 4.492 3.053 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -13.544 5.726 2.185 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -12.036 6.631 1.909 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -12.806 5.754 0.565 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.546 3.250 2.214 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -12.814 3.190 0.593 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.040 2.338 1.950 1.00 0.67 H new ATOM 913 N LEU A 56 -8.310 4.493 -0.872 1.00 0.62 N ATOM 914 CA LEU A 56 -7.257 5.159 -1.696 1.00 0.66 C ATOM 915 C LEU A 56 -7.491 4.890 -3.186 1.00 0.67 C ATOM 916 O LEU A 56 -7.248 5.738 -4.022 1.00 0.72 O ATOM 917 CB LEU A 56 -5.852 4.679 -1.231 1.00 0.65 C ATOM 918 CG LEU A 56 -5.327 3.450 -2.030 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.532 3.893 -3.273 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.377 2.634 -1.143 1.00 0.66 C ATOM 0 H LEU A 56 -7.964 3.886 -0.129 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.310 6.238 -1.554 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.143 5.500 -1.333 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -5.894 4.424 -0.172 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.190 2.860 -2.338 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.178 3.014 -3.811 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.176 4.483 -3.926 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -3.679 4.497 -2.963 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.008 1.773 -1.701 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.536 3.258 -0.841 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.911 2.291 -0.257 1.00 0.66 H new ATOM 932 N MET A 57 -7.942 3.722 -3.526 1.00 0.62 N ATOM 933 CA MET A 57 -8.166 3.394 -4.966 1.00 0.63 C ATOM 934 C MET A 57 -9.127 4.399 -5.612 1.00 0.68 C ATOM 935 O MET A 57 -8.893 4.880 -6.705 1.00 0.72 O ATOM 936 CB MET A 57 -8.758 1.987 -5.082 1.00 0.58 C ATOM 937 CG MET A 57 -7.741 0.959 -4.583 1.00 0.55 C ATOM 938 SD MET A 57 -6.409 0.790 -5.797 1.00 0.60 S ATOM 939 CE MET A 57 -7.174 -0.515 -6.790 1.00 0.57 C ATOM 0 H MET A 57 -8.168 2.973 -2.871 1.00 0.62 H new ATOM 0 HA MET A 57 -7.208 3.443 -5.484 1.00 0.63 H new ATOM 0 HB2 MET A 57 -9.676 1.919 -4.498 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.023 1.778 -6.118 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.334 1.272 -3.621 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.228 -0.003 -4.425 1.00 0.55 H new ATOM 0 HE1 MET A 57 -6.511 -0.781 -7.614 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.348 -1.392 -6.166 1.00 0.57 H new ATOM 0 HE3 MET A 57 -8.124 -0.159 -7.189 1.00 0.57 H new ATOM 949 N GLY A 58 -10.218 4.703 -4.971 1.00 0.67 N ATOM 950 CA GLY A 58 -11.189 5.653 -5.591 1.00 0.73 C ATOM 951 C GLY A 58 -10.687 7.095 -5.508 1.00 0.79 C ATOM 952 O GLY A 58 -10.812 7.855 -6.448 1.00 0.84 O ATOM 0 H GLY A 58 -10.481 4.341 -4.054 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -11.351 5.382 -6.634 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.152 5.572 -5.088 1.00 0.73 H new ATOM 956 N LEU A 59 -10.126 7.486 -4.405 1.00 0.79 N ATOM 957 CA LEU A 59 -9.628 8.885 -4.290 1.00 0.86 C ATOM 958 C LEU A 59 -8.539 9.091 -5.329 1.00 0.88 C ATOM 959 O LEU A 59 -8.232 10.200 -5.720 1.00 0.94 O ATOM 960 CB LEU A 59 -9.100 9.126 -2.873 1.00 0.86 C ATOM 961 CG LEU A 59 -10.170 8.671 -1.865 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.613 8.755 -0.450 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.415 9.560 -1.980 1.00 0.87 C ATOM 0 H LEU A 59 -9.989 6.903 -3.579 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.431 9.599 -4.471 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.173 8.574 -2.716 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.870 10.182 -2.730 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.447 7.640 -2.086 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.374 8.432 0.260 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.739 8.109 -0.364 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.327 9.784 -0.232 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.166 9.229 -1.262 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.144 10.595 -1.771 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.821 9.488 -2.989 1.00 0.87 H new ATOM 975 N LEU A 60 -7.995 8.020 -5.822 1.00 0.84 N ATOM 976 CA LEU A 60 -6.969 8.140 -6.889 1.00 0.87 C ATOM 977 C LEU A 60 -7.734 8.440 -8.170 1.00 0.91 C ATOM 978 O LEU A 60 -7.427 9.364 -8.898 1.00 0.96 O ATOM 979 CB LEU A 60 -6.190 6.819 -7.017 1.00 0.82 C ATOM 980 CG LEU A 60 -5.270 6.822 -8.262 1.00 0.87 C ATOM 981 CD1 LEU A 60 -6.077 6.617 -9.571 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.487 8.143 -8.327 1.00 0.91 C ATOM 0 H LEU A 60 -8.215 7.067 -5.533 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.243 8.924 -6.671 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -5.591 6.660 -6.121 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -6.891 5.987 -7.083 1.00 0.82 H new ATOM 0 HG LEU A 60 -4.574 5.988 -8.168 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -5.397 6.625 -10.423 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -6.598 5.660 -9.531 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.804 7.422 -9.680 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.841 8.140 -9.205 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -5.186 8.977 -8.393 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -3.878 8.250 -7.429 1.00 0.91 H new ATOM 994 N GLU A 61 -8.758 7.673 -8.430 1.00 0.87 N ATOM 995 CA GLU A 61 -9.583 7.917 -9.642 1.00 0.91 C ATOM 996 C GLU A 61 -10.138 9.337 -9.563 1.00 0.96 C ATOM 997 O GLU A 61 -10.060 10.106 -10.500 1.00 1.00 O ATOM 998 CB GLU A 61 -10.747 6.917 -9.668 1.00 0.86 C ATOM 999 CG GLU A 61 -11.418 6.876 -11.073 1.00 0.82 C ATOM 1000 CD GLU A 61 -12.802 7.539 -11.027 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -13.720 6.913 -10.523 1.00 0.74 O ATOM 1002 OE2 GLU A 61 -12.917 8.659 -11.497 1.00 0.77 O ATOM 0 H GLU A 61 -9.057 6.887 -7.853 1.00 0.87 H new ATOM 0 HA GLU A 61 -8.982 7.796 -10.543 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -10.383 5.923 -9.406 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -11.486 7.194 -8.916 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -10.787 7.388 -11.799 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.514 5.843 -11.407 1.00 0.82 H new ATOM 1009 N GLY A 62 -10.694 9.686 -8.431 1.00 0.95 N ATOM 1010 CA GLY A 62 -11.258 11.059 -8.251 1.00 1.01 C ATOM 1011 C GLY A 62 -12.775 11.028 -8.428 1.00 1.00 C ATOM 1012 O GLY A 62 -13.318 11.627 -9.334 1.00 1.03 O ATOM 0 H GLY A 62 -10.782 9.076 -7.619 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.007 11.437 -7.260 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -10.813 11.742 -8.975 1.00 1.01 H new ATOM 1016 N TYR A 63 -13.461 10.341 -7.563 1.00 0.96 N ATOM 1017 CA TYR A 63 -14.948 10.277 -7.670 1.00 0.95 C ATOM 1018 C TYR A 63 -15.513 9.618 -6.416 1.00 0.93 C ATOM 1019 O TYR A 63 -16.295 8.689 -6.460 1.00 0.89 O ATOM 1020 CB TYR A 63 -15.334 9.456 -8.879 1.00 0.91 C ATOM 1021 CG TYR A 63 -16.689 9.882 -9.425 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -17.670 10.463 -8.589 1.00 0.99 C ATOM 1023 CD2 TYR A 63 -16.964 9.693 -10.786 1.00 0.94 C ATOM 1024 CE1 TYR A 63 -18.906 10.844 -9.126 1.00 1.03 C ATOM 1025 CE2 TYR A 63 -18.201 10.076 -11.315 1.00 0.98 C ATOM 1026 CZ TYR A 63 -19.171 10.651 -10.487 1.00 1.02 C ATOM 1027 OH TYR A 63 -20.390 11.028 -11.012 1.00 1.06 O ATOM 0 H TYR A 63 -13.059 9.819 -6.784 1.00 0.96 H new ATOM 0 HA TYR A 63 -15.349 11.285 -7.772 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -14.576 9.567 -9.654 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -15.363 8.400 -8.610 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -17.467 10.613 -7.539 1.00 0.99 H new ATOM 0 HD2 TYR A 63 -16.218 9.250 -11.429 1.00 0.94 H new ATOM 0 HE1 TYR A 63 -19.657 11.288 -8.489 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -18.408 9.928 -12.365 1.00 0.98 H new ATOM 0 HH TYR A 63 -20.410 10.826 -11.971 1.00 1.06 H new ATOM 1037 N PHE A 64 -15.117 10.124 -5.331 1.00 0.95 N ATOM 1038 CA PHE A 64 -15.577 9.610 -4.007 1.00 0.93 C ATOM 1039 C PHE A 64 -15.465 8.080 -3.984 1.00 0.86 C ATOM 1040 O PHE A 64 -15.037 7.460 -4.937 1.00 0.83 O ATOM 1041 CB PHE A 64 -17.042 10.027 -3.774 1.00 0.98 C ATOM 1042 CG PHE A 64 -17.100 11.419 -3.172 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -16.422 12.476 -3.790 1.00 1.07 C ATOM 1044 CD2 PHE A 64 -17.830 11.650 -1.997 1.00 0.98 C ATOM 1045 CE1 PHE A 64 -16.472 13.761 -3.236 1.00 1.10 C ATOM 1046 CE2 PHE A 64 -17.880 12.935 -1.444 1.00 1.01 C ATOM 1047 CZ PHE A 64 -17.201 13.990 -2.064 1.00 1.07 C ATOM 0 H PHE A 64 -14.466 10.907 -5.274 1.00 0.95 H new ATOM 0 HA PHE A 64 -14.953 10.029 -3.218 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -17.588 10.008 -4.717 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -17.529 9.314 -3.109 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -15.860 12.300 -4.695 1.00 1.07 H new ATOM 0 HD2 PHE A 64 -18.354 10.836 -1.518 1.00 0.98 H new ATOM 0 HE1 PHE A 64 -15.948 14.576 -3.714 1.00 1.10 H new ATOM 0 HE2 PHE A 64 -18.442 13.112 -0.539 1.00 1.01 H new ATOM 0 HZ PHE A 64 -17.240 14.981 -1.638 1.00 1.07 H new ATOM 1057 N VAL A 65 -15.852 7.466 -2.896 1.00 0.83 N ATOM 1058 CA VAL A 65 -15.782 5.974 -2.800 1.00 0.76 C ATOM 1059 C VAL A 65 -16.940 5.489 -1.891 1.00 0.76 C ATOM 1060 O VAL A 65 -16.806 5.533 -0.684 1.00 0.75 O ATOM 1061 CB VAL A 65 -14.419 5.541 -2.190 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -13.965 4.220 -2.827 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -13.361 6.617 -2.456 1.00 0.76 C ATOM 0 H VAL A 65 -16.215 7.934 -2.066 1.00 0.83 H new ATOM 0 HA VAL A 65 -15.872 5.534 -3.793 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.539 5.409 -1.115 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -13.009 3.919 -2.398 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -14.710 3.448 -2.633 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -13.853 4.354 -3.903 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -12.409 6.306 -2.025 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -13.245 6.755 -3.531 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -13.675 7.556 -2.001 1.00 0.76 H new ATOM 1073 N PRO A 66 -18.053 5.056 -2.464 1.00 0.78 N ATOM 1074 CA PRO A 66 -19.194 4.601 -1.646 1.00 0.79 C ATOM 1075 C PRO A 66 -18.755 3.450 -0.731 1.00 0.72 C ATOM 1076 O PRO A 66 -17.824 2.727 -1.026 1.00 0.67 O ATOM 1077 CB PRO A 66 -20.267 4.152 -2.667 1.00 0.81 C ATOM 1078 CG PRO A 66 -19.744 4.529 -4.082 1.00 0.82 C ATOM 1079 CD PRO A 66 -18.275 4.980 -3.927 1.00 0.79 C ATOM 0 HA PRO A 66 -19.583 5.379 -0.989 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -20.441 3.078 -2.595 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -21.219 4.643 -2.465 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -19.814 3.676 -4.757 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -20.347 5.328 -4.514 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -17.592 4.270 -4.394 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -18.106 5.946 -4.403 1.00 0.79 H new ATOM 1087 N LEU A 67 -19.416 3.283 0.381 1.00 0.73 N ATOM 1088 CA LEU A 67 -19.039 2.194 1.317 1.00 0.68 C ATOM 1089 C LEU A 67 -19.502 0.847 0.755 1.00 0.65 C ATOM 1090 O LEU A 67 -18.730 -0.080 0.630 1.00 0.60 O ATOM 1091 CB LEU A 67 -19.714 2.447 2.670 1.00 0.72 C ATOM 1092 CG LEU A 67 -18.956 3.533 3.454 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -17.576 3.018 3.914 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -18.781 4.772 2.567 1.00 0.77 C ATOM 0 H LEU A 67 -20.204 3.858 0.680 1.00 0.73 H new ATOM 0 HA LEU A 67 -17.956 2.174 1.442 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -20.748 2.756 2.515 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -19.740 1.524 3.249 1.00 0.72 H new ATOM 0 HG LEU A 67 -19.535 3.793 4.340 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -17.060 3.804 4.466 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -17.708 2.149 4.558 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -16.984 2.737 3.043 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -18.244 5.543 3.120 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -18.214 4.504 1.675 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -19.760 5.151 2.274 1.00 0.77 H new ATOM 1106 N HIS A 68 -20.758 0.727 0.425 1.00 0.69 N ATOM 1107 CA HIS A 68 -21.263 -0.568 -0.114 1.00 0.68 C ATOM 1108 C HIS A 68 -20.718 -0.807 -1.523 1.00 0.68 C ATOM 1109 O HIS A 68 -21.289 -1.549 -2.298 1.00 0.72 O ATOM 1110 CB HIS A 68 -22.792 -0.540 -0.160 1.00 0.75 C ATOM 1111 CG HIS A 68 -23.304 -1.881 -0.608 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -23.019 -3.048 0.084 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -24.083 -2.257 -1.674 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -23.617 -4.062 -0.568 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -24.279 -3.635 -1.647 1.00 0.90 N ATOM 0 H HIS A 68 -21.455 1.467 0.505 1.00 0.69 H new ATOM 0 HA HIS A 68 -20.927 -1.375 0.537 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -23.192 -0.296 0.824 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -23.132 0.238 -0.844 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -24.483 -1.586 -2.420 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -23.568 -5.095 -0.257 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -24.813 -4.198 -2.309 1.00 0.90 H new ATOM 1123 N SER A 69 -19.614 -0.199 -1.864 1.00 0.66 N ATOM 1124 CA SER A 69 -19.041 -0.414 -3.224 1.00 0.67 C ATOM 1125 C SER A 69 -18.206 -1.683 -3.215 1.00 0.61 C ATOM 1126 O SER A 69 -18.098 -2.388 -4.199 1.00 0.63 O ATOM 1127 CB SER A 69 -18.151 0.776 -3.605 1.00 0.69 C ATOM 1128 OG SER A 69 -18.317 1.059 -4.988 1.00 0.69 O ATOM 0 H SER A 69 -19.086 0.434 -1.263 1.00 0.66 H new ATOM 0 HA SER A 69 -19.849 -0.506 -3.950 1.00 0.67 H new ATOM 0 HB2 SER A 69 -18.415 1.649 -3.008 1.00 0.69 H new ATOM 0 HB3 SER A 69 -17.107 0.548 -3.391 1.00 0.69 H new ATOM 0 HG SER A 69 -17.752 1.820 -5.236 1.00 0.69 H new ATOM 1134 N PHE A 70 -17.600 -1.952 -2.102 1.00 0.56 N ATOM 1135 CA PHE A 70 -16.728 -3.158 -1.976 1.00 0.51 C ATOM 1136 C PHE A 70 -17.470 -4.292 -1.263 1.00 0.50 C ATOM 1137 O PHE A 70 -18.560 -4.671 -1.645 1.00 0.56 O ATOM 1138 CB PHE A 70 -15.441 -2.801 -1.210 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.686 -2.253 0.201 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -16.981 -2.073 0.745 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -14.564 -1.925 0.983 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -17.130 -1.574 2.045 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -14.728 -1.428 2.281 1.00 0.51 C ATOM 1144 CZ PHE A 70 -16.007 -1.254 2.810 1.00 0.54 C ATOM 0 H PHE A 70 -17.668 -1.384 -1.258 1.00 0.56 H new ATOM 0 HA PHE A 70 -16.463 -3.498 -2.977 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -14.814 -3.690 -1.140 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -14.882 -2.062 -1.784 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -17.853 -2.320 0.158 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.571 -2.057 0.580 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -18.118 -1.436 2.458 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -13.861 -1.178 2.875 1.00 0.51 H new ATOM 0 HZ PHE A 70 -16.129 -0.871 3.813 1.00 0.54 H new ATOM 1154 N PHE A 71 -16.883 -4.827 -0.222 1.00 0.45 N ATOM 1155 CA PHE A 71 -17.530 -5.936 0.548 1.00 0.45 C ATOM 1156 C PHE A 71 -17.747 -5.477 1.992 1.00 0.50 C ATOM 1157 O PHE A 71 -17.159 -4.512 2.439 1.00 0.51 O ATOM 1158 CB PHE A 71 -16.609 -7.159 0.537 1.00 0.41 C ATOM 1159 CG PHE A 71 -16.615 -7.783 -0.839 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -15.812 -7.247 -1.854 1.00 0.41 C ATOM 1161 CD2 PHE A 71 -17.423 -8.896 -1.100 1.00 0.43 C ATOM 1162 CE1 PHE A 71 -15.818 -7.825 -3.130 1.00 0.44 C ATOM 1163 CE2 PHE A 71 -17.429 -9.474 -2.375 1.00 0.46 C ATOM 1164 CZ PHE A 71 -16.627 -8.939 -3.390 1.00 0.46 C ATOM 0 H PHE A 71 -15.971 -4.539 0.132 1.00 0.45 H new ATOM 0 HA PHE A 71 -18.487 -6.195 0.095 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -15.595 -6.866 0.811 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -16.942 -7.885 1.279 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -15.188 -6.388 -1.653 1.00 0.41 H new ATOM 0 HD2 PHE A 71 -18.042 -9.309 -0.317 1.00 0.43 H new ATOM 0 HE1 PHE A 71 -15.199 -7.412 -3.913 1.00 0.44 H new ATOM 0 HE2 PHE A 71 -18.052 -10.333 -2.576 1.00 0.46 H new ATOM 0 HZ PHE A 71 -16.632 -9.385 -4.374 1.00 0.46 H new ATOM 1174 N LEU A 72 -18.584 -6.157 2.728 1.00 0.54 N ATOM 1175 CA LEU A 72 -18.829 -5.750 4.142 1.00 0.59 C ATOM 1176 C LEU A 72 -17.496 -5.699 4.888 1.00 0.57 C ATOM 1177 O LEU A 72 -16.438 -5.780 4.295 1.00 0.59 O ATOM 1178 CB LEU A 72 -19.751 -6.764 4.824 1.00 0.64 C ATOM 1179 CG LEU A 72 -21.013 -6.977 3.981 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -21.823 -8.136 4.567 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -21.868 -5.702 3.986 1.00 0.71 C ATOM 0 H LEU A 72 -19.107 -6.974 2.413 1.00 0.54 H new ATOM 0 HA LEU A 72 -19.302 -4.768 4.158 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -19.228 -7.711 4.956 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -20.024 -6.409 5.818 1.00 0.64 H new ATOM 0 HG LEU A 72 -20.725 -7.210 2.956 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -22.722 -8.290 3.970 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -21.220 -9.044 4.556 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -22.105 -7.900 5.593 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -22.763 -5.862 3.385 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -22.157 -5.461 5.009 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -21.292 -4.876 3.568 1.00 0.71 H new ATOM 1193 N THR A 73 -17.533 -5.566 6.185 1.00 0.53 N ATOM 1194 CA THR A 73 -16.268 -5.512 6.961 1.00 0.52 C ATOM 1195 C THR A 73 -15.723 -6.949 7.125 1.00 0.44 C ATOM 1196 O THR A 73 -16.501 -7.855 7.351 1.00 0.43 O ATOM 1197 CB THR A 73 -16.564 -4.917 8.342 1.00 0.59 C ATOM 1198 OG1 THR A 73 -17.794 -5.440 8.825 1.00 0.59 O ATOM 1199 CG2 THR A 73 -16.664 -3.392 8.243 1.00 0.61 C ATOM 0 H THR A 73 -18.386 -5.493 6.739 1.00 0.53 H new ATOM 0 HA THR A 73 -15.531 -4.897 6.445 1.00 0.52 H new ATOM 0 HB THR A 73 -15.757 -5.179 9.027 1.00 0.59 H new ATOM 0 HG1 THR A 73 -17.985 -5.063 9.709 1.00 0.59 H new ATOM 0 HG21 THR A 73 -16.875 -2.976 9.228 1.00 0.61 H new ATOM 0 HG22 THR A 73 -15.721 -2.989 7.873 1.00 0.61 H new ATOM 0 HG23 THR A 73 -17.467 -3.124 7.557 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.416 -7.144 7.020 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.838 -8.493 7.176 1.00 0.35 C ATOM 1209 C PRO A 74 -14.211 -9.061 8.552 1.00 0.35 C ATOM 1210 O PRO A 74 -14.122 -8.380 9.555 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.308 -8.293 7.046 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.050 -6.771 6.850 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.426 -6.077 6.748 1.00 0.47 C ATOM 0 HA PRO A 74 -14.209 -9.200 6.434 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.797 -8.657 7.937 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.918 -8.860 6.201 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.478 -6.368 7.686 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.464 -6.594 5.948 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.513 -5.265 7.470 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.576 -5.642 5.760 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.615 -10.307 8.606 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.982 -10.930 9.918 1.00 0.38 C ATOM 1223 C ASP A 75 -13.820 -11.815 10.366 1.00 0.36 C ATOM 1224 O ASP A 75 -13.459 -11.847 11.525 1.00 0.36 O ATOM 1225 CB ASP A 75 -16.267 -11.776 9.743 1.00 0.46 C ATOM 1226 CG ASP A 75 -17.258 -11.494 10.881 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.954 -11.851 12.007 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -18.302 -10.927 10.604 1.00 0.82 O ATOM 0 H ASP A 75 -14.707 -10.921 7.797 1.00 0.34 H new ATOM 0 HA ASP A 75 -15.172 -10.163 10.669 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.732 -11.548 8.784 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -16.012 -12.836 9.729 1.00 0.46 H new ATOM 1233 N SER A 76 -13.235 -12.532 9.441 1.00 0.38 N ATOM 1234 CA SER A 76 -12.090 -13.426 9.775 1.00 0.41 C ATOM 1235 C SER A 76 -10.938 -13.161 8.809 1.00 0.39 C ATOM 1236 O SER A 76 -10.946 -12.214 8.048 1.00 0.37 O ATOM 1237 CB SER A 76 -12.528 -14.884 9.662 1.00 0.51 C ATOM 1238 OG SER A 76 -13.298 -15.060 8.484 1.00 0.54 O ATOM 0 H SER A 76 -13.506 -12.535 8.458 1.00 0.38 H new ATOM 0 HA SER A 76 -11.761 -13.227 10.795 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.655 -15.536 9.638 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.113 -15.167 10.537 1.00 0.51 H new ATOM 0 HG SER A 76 -14.143 -14.571 8.570 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.941 -13.987 8.861 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.754 -13.808 7.983 1.00 0.44 C ATOM 1246 C PHE A 77 -9.132 -13.949 6.532 1.00 0.48 C ATOM 1247 O PHE A 77 -8.928 -13.064 5.750 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.733 -14.888 8.340 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.516 -14.826 7.430 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.813 -13.623 7.252 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.079 -15.988 6.776 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.679 -13.587 6.424 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.951 -15.948 5.949 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.252 -14.749 5.774 1.00 0.90 C ATOM 0 H PHE A 77 -9.894 -14.793 9.484 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.341 -12.811 8.134 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.420 -14.766 9.377 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.198 -15.871 8.261 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -6.145 -12.725 7.752 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.615 -16.916 6.911 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -4.137 -12.662 6.289 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.620 -16.844 5.445 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.381 -14.721 5.136 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.671 -15.054 6.172 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.057 -15.272 4.748 1.00 0.56 C ATOM 1266 C GLU A 78 -10.789 -14.036 4.217 1.00 0.53 C ATOM 1267 O GLU A 78 -10.572 -13.610 3.103 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.960 -16.528 4.667 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.369 -17.557 3.695 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.288 -18.778 3.622 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.041 -18.986 4.559 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -11.222 -19.485 2.630 1.00 1.45 O ATOM 0 H GLU A 78 -9.870 -15.834 6.798 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.170 -15.429 4.134 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.063 -16.972 5.657 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.960 -16.243 4.340 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.255 -17.115 2.705 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.375 -17.856 4.026 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.642 -13.460 5.004 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.381 -12.274 4.560 1.00 0.45 C ATOM 1281 C GLN A 79 -11.420 -11.105 4.348 1.00 0.40 C ATOM 1282 O GLN A 79 -11.645 -10.252 3.512 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.399 -11.981 5.646 1.00 0.49 C ATOM 1284 CG GLN A 79 -14.179 -13.269 5.924 1.00 0.49 C ATOM 1285 CD GLN A 79 -15.431 -12.958 6.742 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.812 -13.726 7.602 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -16.099 -11.862 6.502 1.00 0.45 N ATOM 0 H GLN A 79 -11.857 -13.772 5.951 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.882 -12.436 3.606 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.901 -11.634 6.551 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.075 -11.187 5.330 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.458 -13.744 4.984 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.549 -13.976 6.464 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.778 -11.217 5.780 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.941 -11.651 7.037 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.335 -11.072 5.066 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.353 -9.974 4.861 1.00 0.38 C ATOM 1298 C LYS A 80 -8.532 -10.311 3.618 1.00 0.39 C ATOM 1299 O LYS A 80 -8.378 -9.509 2.718 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.427 -9.871 6.074 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.232 -9.438 7.299 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.331 -9.458 8.535 1.00 0.51 C ATOM 1303 CE LYS A 80 -9.136 -9.024 9.761 1.00 0.51 C ATOM 1304 NZ LYS A 80 -8.360 -9.323 10.998 1.00 1.03 N ATOM 0 H LYS A 80 -10.086 -11.754 5.783 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.869 -9.022 4.736 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.949 -10.832 6.262 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.631 -9.153 5.877 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.636 -8.437 7.147 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -10.081 -10.106 7.444 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.927 -10.459 8.688 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.482 -8.791 8.390 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.356 -7.958 9.706 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -10.093 -9.546 9.784 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.908 -9.028 11.831 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -8.172 -10.344 11.051 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -7.458 -8.806 10.976 1.00 1.03 H new ATOM 1318 N VAL A 81 -8.019 -11.511 3.562 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.219 -11.940 2.384 1.00 0.47 C ATOM 1320 C VAL A 81 -8.026 -11.690 1.117 1.00 0.45 C ATOM 1321 O VAL A 81 -7.478 -11.529 0.053 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.918 -13.435 2.489 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.986 -13.853 1.349 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.243 -13.729 3.828 1.00 0.56 C ATOM 0 H VAL A 81 -8.123 -12.217 4.291 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.286 -11.377 2.353 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.851 -13.995 2.420 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.773 -14.919 1.426 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.466 -13.647 0.392 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.055 -13.291 1.416 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.029 -14.795 3.901 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.312 -13.167 3.897 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.906 -13.435 4.642 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.327 -11.673 1.221 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.168 -11.447 0.009 1.00 0.44 C ATOM 1336 C LEU A 82 -10.297 -9.959 -0.258 1.00 0.38 C ATOM 1337 O LEU A 82 -10.248 -9.521 -1.382 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.559 -12.063 0.222 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.283 -12.225 -1.132 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.898 -13.561 -1.783 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.801 -12.201 -0.914 1.00 0.54 C ATOM 0 H LEU A 82 -9.844 -11.805 2.090 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.694 -11.922 -0.850 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.464 -13.033 0.710 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.148 -11.429 0.884 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.987 -11.403 -1.784 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.415 -13.663 -2.737 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.821 -13.588 -1.949 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -12.184 -14.382 -1.125 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.308 -12.316 -1.872 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -14.087 -13.019 -0.252 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -14.089 -11.252 -0.463 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.450 -9.174 0.752 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.558 -7.719 0.518 1.00 0.32 C ATOM 1355 C ASN A 83 -9.280 -7.267 -0.205 1.00 0.31 C ATOM 1356 O ASN A 83 -9.291 -6.362 -1.026 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.710 -7.004 1.880 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.768 -5.900 1.787 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.471 -4.736 1.965 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.998 -6.229 1.513 1.00 0.36 N ATOM 0 H ASN A 83 -10.505 -9.470 1.726 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.426 -7.474 -0.094 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.993 -7.725 2.647 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.754 -6.576 2.182 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.716 -5.508 1.447 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.243 -7.208 1.364 1.00 0.36 H new ATOM 1367 N VAL A 84 -8.175 -7.914 0.079 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.897 -7.536 -0.599 1.00 0.37 C ATOM 1369 C VAL A 84 -6.777 -8.283 -1.911 1.00 0.39 C ATOM 1370 O VAL A 84 -6.207 -7.795 -2.847 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.685 -7.863 0.271 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.429 -7.333 -0.423 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.842 -7.185 1.636 1.00 0.40 C ATOM 0 H VAL A 84 -8.104 -8.682 0.746 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.917 -6.460 -0.775 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.604 -8.941 0.413 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.554 -7.559 0.186 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.324 -7.808 -1.398 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.513 -6.254 -0.552 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.978 -7.417 2.259 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.912 -6.106 1.500 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.747 -7.549 2.121 1.00 0.40 H new ATOM 1383 N SER A 85 -7.309 -9.461 -1.996 1.00 0.41 N ATOM 1384 CA SER A 85 -7.217 -10.204 -3.275 1.00 0.46 C ATOM 1385 C SER A 85 -7.987 -9.401 -4.310 1.00 0.42 C ATOM 1386 O SER A 85 -7.731 -9.445 -5.493 1.00 0.45 O ATOM 1387 CB SER A 85 -7.849 -11.588 -3.119 1.00 0.50 C ATOM 1388 OG SER A 85 -7.542 -12.376 -4.262 1.00 0.53 O ATOM 0 H SER A 85 -7.801 -9.941 -1.242 1.00 0.41 H new ATOM 0 HA SER A 85 -6.178 -10.336 -3.575 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.474 -12.072 -2.218 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.929 -11.497 -3.005 1.00 0.50 H new ATOM 0 HG SER A 85 -7.944 -13.264 -4.165 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.933 -8.656 -3.840 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.768 -7.824 -4.738 1.00 0.36 C ATOM 1396 C PHE A 86 -8.975 -6.599 -5.181 1.00 0.34 C ATOM 1397 O PHE A 86 -8.789 -6.343 -6.348 1.00 0.35 O ATOM 1398 CB PHE A 86 -11.013 -7.389 -3.961 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.703 -6.212 -4.621 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.699 -6.070 -6.015 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.359 -5.264 -3.826 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.349 -4.983 -6.610 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -13.007 -4.176 -4.422 1.00 0.32 C ATOM 1404 CZ PHE A 86 -13.003 -4.035 -5.813 1.00 0.32 C ATOM 0 H PHE A 86 -9.170 -8.585 -2.850 1.00 0.38 H new ATOM 0 HA PHE A 86 -10.059 -8.390 -5.623 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.708 -8.225 -3.890 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.731 -7.121 -2.943 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.194 -6.800 -6.630 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.365 -5.373 -2.751 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.346 -4.875 -7.685 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.510 -3.445 -3.807 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.504 -3.196 -6.273 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.500 -5.838 -4.255 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.710 -4.639 -4.645 1.00 0.33 C ATOM 1416 C ALA A 87 -6.548 -5.116 -5.511 1.00 0.38 C ATOM 1417 O ALA A 87 -6.088 -4.438 -6.408 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.170 -3.956 -3.392 1.00 0.35 C ATOM 0 H ALA A 87 -8.618 -5.984 -3.252 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.330 -3.928 -5.192 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.591 -3.078 -3.677 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -8.002 -3.652 -2.756 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.531 -4.650 -2.846 1.00 0.35 H new ATOM 1424 N PHE A 88 -6.099 -6.307 -5.246 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.993 -6.904 -6.007 1.00 0.48 C ATOM 1426 C PHE A 88 -5.532 -7.331 -7.352 1.00 0.48 C ATOM 1427 O PHE A 88 -4.798 -7.527 -8.291 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.489 -8.117 -5.233 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.493 -8.886 -6.057 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.945 -9.721 -7.078 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.124 -8.770 -5.796 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -3.028 -10.447 -7.847 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.205 -9.493 -6.561 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.656 -10.333 -7.588 1.00 0.74 C ATOM 0 H PHE A 88 -6.471 -6.904 -4.507 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.175 -6.198 -6.149 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -4.027 -7.795 -4.300 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.327 -8.762 -4.968 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -5.003 -9.808 -7.276 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.778 -8.122 -5.004 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.377 -11.094 -8.638 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -0.147 -9.404 -6.361 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.946 -10.892 -8.180 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.819 -7.497 -7.449 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.403 -7.922 -8.750 1.00 0.46 C ATOM 1446 C GLU A 89 -7.513 -6.691 -9.650 1.00 0.43 C ATOM 1447 O GLU A 89 -7.131 -6.716 -10.806 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.784 -8.559 -8.501 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.624 -10.066 -8.281 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.487 -10.777 -9.631 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -9.500 -10.968 -10.283 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -7.371 -11.119 -9.988 1.00 0.63 O ATOM 0 H GLU A 89 -7.488 -7.358 -6.691 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.772 -8.664 -9.240 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.254 -8.102 -7.630 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.440 -8.373 -9.352 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.746 -10.262 -7.666 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.485 -10.457 -7.740 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.994 -5.601 -9.122 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.091 -4.373 -9.948 1.00 0.37 C ATOM 1461 C LEU A 90 -6.679 -3.846 -10.186 1.00 0.41 C ATOM 1462 O LEU A 90 -6.445 -3.068 -11.089 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.929 -3.309 -9.219 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.429 -3.535 -9.476 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.233 -2.646 -8.522 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.793 -3.187 -10.939 1.00 0.36 C ATOM 0 H LEU A 90 -8.321 -5.510 -8.160 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.575 -4.600 -10.898 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.727 -3.349 -8.149 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.641 -2.315 -9.560 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.666 -4.585 -9.304 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.299 -2.797 -8.695 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.992 -2.907 -7.491 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.982 -1.600 -8.700 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.858 -3.354 -11.099 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.557 -2.141 -11.134 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.221 -3.820 -11.617 1.00 0.36 H new ATOM 1478 N MET A 91 -5.723 -4.274 -9.399 1.00 0.43 N ATOM 1479 CA MET A 91 -4.326 -3.782 -9.627 1.00 0.49 C ATOM 1480 C MET A 91 -3.678 -4.677 -10.672 1.00 0.54 C ATOM 1481 O MET A 91 -3.079 -4.210 -11.620 1.00 0.58 O ATOM 1482 CB MET A 91 -3.514 -3.817 -8.321 1.00 0.52 C ATOM 1483 CG MET A 91 -3.782 -2.555 -7.488 1.00 0.48 C ATOM 1484 SD MET A 91 -2.522 -2.406 -6.195 1.00 0.55 S ATOM 1485 CE MET A 91 -2.991 -3.855 -5.219 1.00 0.60 C ATOM 0 H MET A 91 -5.842 -4.928 -8.625 1.00 0.43 H new ATOM 0 HA MET A 91 -4.350 -2.748 -9.972 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.779 -4.703 -7.745 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.451 -3.891 -8.549 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.767 -1.673 -8.129 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.774 -2.606 -7.040 1.00 0.48 H new ATOM 0 HE1 MET A 91 -2.591 -3.759 -4.210 1.00 0.60 H new ATOM 0 HE2 MET A 91 -4.078 -3.927 -5.173 1.00 0.60 H new ATOM 0 HE3 MET A 91 -2.587 -4.754 -5.685 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.819 -5.960 -10.525 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.239 -6.883 -11.533 1.00 0.62 C ATOM 1497 C GLN A 92 -3.749 -6.443 -12.899 1.00 0.61 C ATOM 1498 O GLN A 92 -3.091 -6.602 -13.908 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.693 -8.317 -11.247 1.00 0.64 C ATOM 1500 CG GLN A 92 -3.211 -9.238 -12.370 1.00 0.66 C ATOM 1501 CD GLN A 92 -3.431 -10.696 -11.964 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -2.589 -11.539 -12.202 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -4.536 -11.032 -11.357 1.00 0.67 N ATOM 0 H GLN A 92 -4.310 -6.410 -9.752 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.150 -6.855 -11.500 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -3.293 -8.652 -10.290 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.780 -8.357 -11.170 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -3.752 -9.020 -13.291 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -2.155 -9.061 -12.572 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -5.243 -10.325 -11.157 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -4.693 -12.002 -11.083 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.924 -5.865 -12.927 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.494 -5.379 -14.215 1.00 0.54 C ATOM 1514 C ASP A 93 -5.063 -3.931 -14.411 1.00 0.55 C ATOM 1515 O ASP A 93 -4.489 -3.564 -15.417 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.031 -5.470 -14.146 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.608 -5.817 -15.524 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.257 -5.144 -16.478 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -8.391 -6.750 -15.598 1.00 0.75 O ATOM 0 H ASP A 93 -5.513 -5.710 -12.109 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.139 -5.983 -15.050 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.325 -6.228 -13.420 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.443 -4.522 -13.800 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.340 -3.112 -13.443 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.955 -1.681 -13.544 1.00 0.61 C ATOM 1526 C GLY A 94 -3.443 -1.570 -13.753 1.00 0.73 C ATOM 1527 O GLY A 94 -2.914 -0.486 -13.898 1.00 0.82 O ATOM 0 H GLY A 94 -5.819 -3.372 -12.581 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.483 -1.210 -14.373 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.247 -1.150 -12.638 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.739 -2.682 -13.783 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.253 -2.626 -13.997 1.00 0.94 C ATOM 1533 C GLY A 95 -0.532 -3.593 -13.050 1.00 0.92 C ATOM 1534 O GLY A 95 -0.730 -4.790 -13.100 1.00 0.91 O ATOM 0 H GLY A 95 -3.126 -3.619 -13.669 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -1.020 -2.880 -15.031 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.895 -1.610 -13.830 1.00 0.94 H new ATOM 1538 N LEU A 96 0.320 -3.074 -12.199 1.00 0.92 N ATOM 1539 CA LEU A 96 1.082 -3.945 -11.254 1.00 0.91 C ATOM 1540 C LEU A 96 1.973 -4.894 -12.055 1.00 0.94 C ATOM 1541 O LEU A 96 3.173 -4.724 -12.137 1.00 0.95 O ATOM 1542 CB LEU A 96 0.101 -4.743 -10.382 1.00 0.89 C ATOM 1543 CG LEU A 96 0.810 -5.250 -9.107 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.805 -4.163 -8.024 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.082 -6.487 -8.569 1.00 0.86 C ATOM 0 H LEU A 96 0.520 -2.077 -12.119 1.00 0.92 H new ATOM 0 HA LEU A 96 1.706 -3.330 -10.605 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.748 -4.116 -10.110 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.295 -5.587 -10.947 1.00 0.89 H new ATOM 0 HG LEU A 96 1.840 -5.502 -9.361 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.308 -4.536 -7.132 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.327 -3.280 -8.393 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -0.224 -3.900 -7.777 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.585 -6.842 -7.669 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -0.949 -6.227 -8.330 1.00 0.86 H new ATOM 0 HD23 LEU A 96 0.092 -7.273 -9.325 1.00 0.86 H new ATOM 1557 N GLU A 97 1.381 -5.876 -12.655 1.00 0.96 N ATOM 1558 CA GLU A 97 2.151 -6.851 -13.484 1.00 1.00 C ATOM 1559 C GLU A 97 3.218 -7.568 -12.648 1.00 0.99 C ATOM 1560 O GLU A 97 3.689 -7.066 -11.646 1.00 0.99 O ATOM 1561 CB GLU A 97 2.830 -6.114 -14.641 1.00 1.05 C ATOM 1562 CG GLU A 97 1.834 -5.151 -15.290 1.00 1.13 C ATOM 1563 CD GLU A 97 2.480 -4.495 -16.511 1.00 1.25 C ATOM 1564 OE1 GLU A 97 3.011 -5.220 -17.337 1.00 1.37 O ATOM 1565 OE2 GLU A 97 2.435 -3.279 -16.600 1.00 1.27 O ATOM 0 H GLU A 97 0.378 -6.054 -12.610 1.00 0.96 H new ATOM 0 HA GLU A 97 1.454 -7.596 -13.869 1.00 1.00 H new ATOM 0 HB2 GLU A 97 3.698 -5.565 -14.276 1.00 1.05 H new ATOM 0 HB3 GLU A 97 3.193 -6.830 -15.379 1.00 1.05 H new ATOM 0 HG2 GLU A 97 0.933 -5.688 -15.587 1.00 1.13 H new ATOM 0 HG3 GLU A 97 1.529 -4.389 -14.573 1.00 1.13 H new ATOM 1572 N LYS A 98 3.600 -8.741 -13.084 1.00 1.02 N ATOM 1573 CA LYS A 98 4.643 -9.545 -12.375 1.00 1.01 C ATOM 1574 C LYS A 98 4.548 -9.387 -10.848 1.00 1.00 C ATOM 1575 O LYS A 98 5.437 -8.828 -10.238 1.00 1.04 O ATOM 1576 CB LYS A 98 6.027 -9.096 -12.850 1.00 1.08 C ATOM 1577 CG LYS A 98 6.057 -9.063 -14.384 1.00 1.09 C ATOM 1578 CD LYS A 98 7.506 -9.091 -14.877 1.00 1.13 C ATOM 1579 CE LYS A 98 8.269 -7.891 -14.309 1.00 1.16 C ATOM 1580 NZ LYS A 98 8.614 -8.152 -12.883 1.00 1.18 N ATOM 0 H LYS A 98 3.224 -9.186 -13.921 1.00 1.02 H new ATOM 0 HA LYS A 98 4.480 -10.597 -12.610 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.258 -8.109 -12.450 1.00 1.08 H new ATOM 0 HB3 LYS A 98 6.790 -9.778 -12.475 1.00 1.08 H new ATOM 0 HG2 LYS A 98 5.510 -9.916 -14.786 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.557 -8.165 -14.747 1.00 1.09 H new ATOM 0 HD2 LYS A 98 7.987 -10.019 -14.568 1.00 1.13 H new ATOM 0 HD3 LYS A 98 7.530 -9.067 -15.966 1.00 1.13 H new ATOM 0 HE2 LYS A 98 9.176 -7.716 -14.888 1.00 1.16 H new ATOM 0 HE3 LYS A 98 7.662 -6.989 -14.388 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 9.613 -7.913 -12.718 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 8.012 -7.568 -12.268 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 8.458 -9.157 -12.667 1.00 1.18 H new ATOM 1594 N PRO A 99 3.488 -9.907 -10.265 1.00 0.93 N ATOM 1595 CA PRO A 99 3.299 -9.848 -8.803 1.00 0.91 C ATOM 1596 C PRO A 99 4.326 -10.766 -8.128 1.00 0.98 C ATOM 1597 O PRO A 99 4.939 -11.592 -8.776 1.00 1.02 O ATOM 1598 CB PRO A 99 1.861 -10.355 -8.566 1.00 0.84 C ATOM 1599 CG PRO A 99 1.306 -10.842 -9.939 1.00 0.82 C ATOM 1600 CD PRO A 99 2.397 -10.578 -11.003 1.00 0.88 C ATOM 0 HA PRO A 99 3.438 -8.848 -8.392 1.00 0.91 H new ATOM 0 HB2 PRO A 99 1.855 -11.168 -7.840 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.236 -9.560 -8.160 1.00 0.84 H new ATOM 0 HG2 PRO A 99 1.059 -11.903 -9.898 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.388 -10.311 -10.191 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.740 -11.508 -11.457 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.020 -9.949 -11.809 1.00 0.88 H new ATOM 1608 N LYS A 100 4.525 -10.625 -6.837 1.00 0.98 N ATOM 1609 CA LYS A 100 5.524 -11.495 -6.130 1.00 1.05 C ATOM 1610 C LYS A 100 4.957 -12.035 -4.794 1.00 1.02 C ATOM 1611 O LYS A 100 5.027 -13.227 -4.568 1.00 1.04 O ATOM 1612 CB LYS A 100 6.831 -10.689 -5.900 1.00 1.11 C ATOM 1613 CG LYS A 100 8.017 -11.357 -6.616 1.00 1.18 C ATOM 1614 CD LYS A 100 9.326 -10.696 -6.173 1.00 1.25 C ATOM 1615 CE LYS A 100 9.290 -9.200 -6.500 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.681 -8.665 -6.521 1.00 1.30 N ATOM 0 H LYS A 100 4.042 -9.949 -6.245 1.00 0.98 H new ATOM 0 HA LYS A 100 5.743 -12.361 -6.754 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.705 -9.671 -6.268 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.037 -10.619 -4.832 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.040 -12.422 -6.386 1.00 1.18 H new ATOM 0 HG3 LYS A 100 7.900 -11.267 -7.696 1.00 1.18 H new ATOM 0 HD2 LYS A 100 9.472 -10.840 -5.103 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.170 -11.167 -6.676 1.00 1.25 H new ATOM 0 HE2 LYS A 100 8.812 -9.039 -7.466 1.00 1.22 H new ATOM 0 HE3 LYS A 100 8.695 -8.668 -5.757 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.904 -8.241 -5.598 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 11.348 -9.439 -6.717 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.763 -7.941 -7.263 1.00 1.30 H new ATOM 1630 N PRO A 101 4.429 -11.186 -3.926 1.00 0.97 N ATOM 1631 CA PRO A 101 3.901 -11.655 -2.636 1.00 0.95 C ATOM 1632 C PRO A 101 2.445 -12.098 -2.838 1.00 0.89 C ATOM 1633 O PRO A 101 1.997 -12.231 -3.960 1.00 0.89 O ATOM 1634 CB PRO A 101 4.039 -10.420 -1.742 1.00 0.92 C ATOM 1635 CG PRO A 101 4.053 -9.193 -2.670 1.00 0.92 C ATOM 1636 CD PRO A 101 4.302 -9.719 -4.109 1.00 0.95 C ATOM 0 HA PRO A 101 4.413 -12.513 -2.201 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.211 -10.360 -1.036 1.00 0.92 H new ATOM 0 HB3 PRO A 101 4.956 -10.470 -1.154 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.106 -8.655 -2.614 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.835 -8.494 -2.374 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.477 -9.468 -4.776 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.205 -9.289 -4.543 1.00 0.95 H new ATOM 1644 N ARG A 102 1.711 -12.366 -1.782 1.00 0.84 N ATOM 1645 CA ARG A 102 0.297 -12.846 -1.938 1.00 0.79 C ATOM 1646 C ARG A 102 -0.664 -11.990 -1.079 1.00 0.71 C ATOM 1647 O ARG A 102 -0.265 -11.501 -0.042 1.00 0.71 O ATOM 1648 CB ARG A 102 0.257 -14.300 -1.456 1.00 0.83 C ATOM 1649 CG ARG A 102 1.427 -15.060 -2.086 1.00 0.92 C ATOM 1650 CD ARG A 102 1.220 -16.567 -1.913 1.00 0.96 C ATOM 1651 NE ARG A 102 1.231 -16.926 -0.454 1.00 1.05 N ATOM 1652 CZ ARG A 102 2.265 -16.689 0.310 1.00 1.11 C ATOM 1653 NH1 ARG A 102 3.386 -16.260 -0.201 1.00 1.09 N ATOM 1654 NH2 ARG A 102 2.190 -16.927 1.591 1.00 1.18 N ATOM 0 H ARG A 102 2.030 -12.273 -0.818 1.00 0.84 H new ATOM 0 HA ARG A 102 -0.018 -12.765 -2.978 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.323 -14.339 -0.369 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.689 -14.764 -1.735 1.00 0.83 H new ATOM 0 HG2 ARG A 102 1.505 -14.814 -3.145 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.364 -14.756 -1.619 1.00 0.92 H new ATOM 0 HD2 ARG A 102 0.273 -16.866 -2.362 1.00 0.96 H new ATOM 0 HD3 ARG A 102 2.006 -17.112 -2.436 1.00 0.96 H new ATOM 0 HE ARG A 102 0.407 -17.368 -0.047 1.00 1.05 H new ATOM 0 HH11 ARG A 102 3.462 -16.106 -1.206 1.00 1.09 H new ATOM 0 HH12 ARG A 102 4.186 -16.078 0.405 1.00 1.09 H new ATOM 0 HH21 ARG A 102 1.328 -17.296 1.992 1.00 1.18 H new ATOM 0 HH22 ARG A 102 2.994 -16.744 2.192 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.916 -11.849 -1.513 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.928 -11.076 -0.758 1.00 0.59 C ATOM 1670 C PRO A 103 -2.803 -11.373 0.737 1.00 0.59 C ATOM 1671 O PRO A 103 -3.207 -10.593 1.576 1.00 0.55 O ATOM 1672 CB PRO A 103 -4.272 -11.557 -1.332 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.955 -12.199 -2.708 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.430 -12.440 -2.763 1.00 0.67 C ATOM 0 HA PRO A 103 -2.814 -9.996 -0.857 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.743 -12.280 -0.665 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.967 -10.725 -1.442 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.497 -13.137 -2.828 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -4.270 -11.543 -3.520 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -2.198 -13.503 -2.824 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.985 -11.966 -3.638 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.222 -12.489 1.069 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.038 -12.837 2.497 1.00 0.65 C ATOM 1684 C GLU A 104 -0.838 -12.063 3.020 1.00 0.67 C ATOM 1685 O GLU A 104 -0.940 -11.285 3.941 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.767 -14.337 2.624 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.977 -15.120 2.119 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.703 -16.619 2.242 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.542 -16.992 2.233 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -3.660 -17.370 2.343 1.00 0.81 O ATOM 0 H GLU A 104 -1.865 -13.178 0.406 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.932 -12.586 3.067 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.881 -14.607 2.049 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.563 -14.593 3.664 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.863 -14.853 2.696 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.183 -14.861 1.080 1.00 0.71 H new ATOM 1697 N ASP A 105 0.292 -12.272 2.403 1.00 0.73 N ATOM 1698 CA ASP A 105 1.550 -11.580 2.801 1.00 0.78 C ATOM 1699 C ASP A 105 1.251 -10.119 3.138 1.00 0.73 C ATOM 1700 O ASP A 105 1.904 -9.509 3.956 1.00 0.77 O ATOM 1701 CB ASP A 105 2.515 -11.644 1.609 1.00 0.83 C ATOM 1702 CG ASP A 105 2.489 -13.047 1.000 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.840 -13.910 1.569 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.125 -13.236 -0.022 1.00 0.94 O ATOM 0 H ASP A 105 0.398 -12.913 1.616 1.00 0.73 H new ATOM 0 HA ASP A 105 1.988 -12.058 3.677 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.231 -10.906 0.859 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.526 -11.396 1.933 1.00 0.83 H new ATOM 1709 N ILE A 106 0.249 -9.570 2.528 1.00 0.67 N ATOM 1710 CA ILE A 106 -0.124 -8.152 2.814 1.00 0.64 C ATOM 1711 C ILE A 106 -0.961 -8.138 4.099 1.00 0.59 C ATOM 1712 O ILE A 106 -0.523 -7.667 5.130 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.937 -7.553 1.628 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.777 -8.408 0.355 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.464 -6.127 1.318 1.00 0.62 C ATOM 1716 CD1 ILE A 106 0.688 -8.444 -0.109 1.00 0.72 C ATOM 0 H ILE A 106 -0.337 -10.039 1.837 1.00 0.67 H new ATOM 0 HA ILE A 106 0.772 -7.544 2.940 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.985 -7.542 1.927 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -1.125 -9.423 0.549 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.403 -8.003 -0.440 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -1.043 -5.724 0.487 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.605 -5.498 2.197 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.592 -6.144 1.050 1.00 0.62 H new ATOM 0 HD11 ILE A 106 0.770 -9.054 -1.008 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.026 -7.431 -0.326 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.308 -8.873 0.678 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.155 -8.674 4.044 1.00 0.54 N ATOM 1729 CA VAL A 107 -3.022 -8.725 5.263 1.00 0.51 C ATOM 1730 C VAL A 107 -2.175 -9.189 6.452 1.00 0.53 C ATOM 1731 O VAL A 107 -2.392 -8.794 7.580 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.142 -9.759 5.005 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.924 -10.108 6.287 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.110 -9.212 3.958 1.00 0.46 C ATOM 0 H VAL A 107 -2.568 -9.080 3.205 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.448 -7.745 5.477 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.667 -10.673 4.648 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.699 -10.838 6.053 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.242 -10.528 7.026 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.385 -9.206 6.689 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.900 -9.941 3.776 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.550 -8.283 4.320 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.572 -9.021 3.030 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.225 -10.044 6.198 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.364 -10.571 7.292 1.00 0.63 C ATOM 1746 C ASN A 108 0.411 -9.423 7.970 1.00 0.63 C ATOM 1747 O ASN A 108 1.372 -9.658 8.674 1.00 0.66 O ATOM 1748 CB ASN A 108 0.626 -11.602 6.685 1.00 0.69 C ATOM 1749 CG ASN A 108 0.648 -12.889 7.522 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.070 -12.879 8.661 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.207 -14.001 6.999 1.00 1.35 N ATOM 0 H ASN A 108 -1.006 -10.404 5.269 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.984 -11.051 8.049 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.335 -11.833 5.660 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.627 -11.172 6.643 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.217 -14.861 7.547 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.147 -14.009 6.043 1.00 1.35 H new ATOM 1758 N CYS A 109 0.012 -8.192 7.770 1.00 0.61 N ATOM 1759 CA CYS A 109 0.746 -7.066 8.417 1.00 0.63 C ATOM 1760 C CYS A 109 2.244 -7.208 8.132 1.00 0.70 C ATOM 1761 O CYS A 109 3.058 -6.503 8.693 1.00 0.85 O ATOM 1762 CB CYS A 109 0.510 -7.115 9.929 1.00 0.62 C ATOM 1763 SG CYS A 109 1.433 -5.780 10.730 1.00 0.66 S ATOM 0 H CYS A 109 -0.783 -7.921 7.192 1.00 0.61 H new ATOM 0 HA CYS A 109 0.388 -6.116 8.020 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.554 -7.016 10.145 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.827 -8.079 10.326 1.00 0.62 H new ATOM 0 HG CYS A 109 2.582 -5.632 10.140 1.00 0.66 H new ATOM 1769 N ASP A 110 2.621 -8.116 7.264 1.00 0.72 N ATOM 1770 CA ASP A 110 4.061 -8.287 6.961 1.00 0.79 C ATOM 1771 C ASP A 110 4.598 -6.984 6.407 1.00 0.81 C ATOM 1772 O ASP A 110 3.897 -6.207 5.795 1.00 0.80 O ATOM 1773 CB ASP A 110 4.278 -9.431 5.922 1.00 0.84 C ATOM 1774 CG ASP A 110 4.792 -8.890 4.577 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.977 -8.540 3.744 1.00 0.98 O ATOM 1776 OD2 ASP A 110 5.999 -8.836 4.410 1.00 0.88 O ATOM 0 H ASP A 110 1.991 -8.739 6.759 1.00 0.72 H new ATOM 0 HA ASP A 110 4.590 -8.555 7.875 1.00 0.79 H new ATOM 0 HB2 ASP A 110 4.991 -10.153 6.320 1.00 0.84 H new ATOM 0 HB3 ASP A 110 3.340 -9.963 5.765 1.00 0.84 H new ATOM 1781 N LEU A 111 5.853 -6.782 6.575 1.00 0.89 N ATOM 1782 CA LEU A 111 6.511 -5.589 6.020 1.00 0.93 C ATOM 1783 C LEU A 111 7.179 -6.037 4.723 1.00 0.97 C ATOM 1784 O LEU A 111 6.830 -5.638 3.656 1.00 0.96 O ATOM 1785 CB LEU A 111 7.558 -5.080 7.020 1.00 1.02 C ATOM 1786 CG LEU A 111 6.890 -4.164 8.070 1.00 1.06 C ATOM 1787 CD1 LEU A 111 7.710 -4.172 9.363 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.809 -2.725 7.541 1.00 1.12 C ATOM 0 H LEU A 111 6.472 -7.410 7.088 1.00 0.89 H new ATOM 0 HA LEU A 111 5.806 -4.779 5.832 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.039 -5.923 7.515 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.339 -4.532 6.493 1.00 1.02 H new ATOM 0 HG LEU A 111 5.885 -4.537 8.267 1.00 1.06 H new ATOM 0 HD11 LEU A 111 7.234 -3.524 10.100 1.00 1.09 H new ATOM 0 HD12 LEU A 111 7.763 -5.188 9.754 1.00 1.09 H new ATOM 0 HD13 LEU A 111 8.717 -3.809 9.157 1.00 1.09 H new ATOM 0 HD21 LEU A 111 6.337 -2.088 8.289 1.00 1.12 H new ATOM 0 HD22 LEU A 111 7.814 -2.357 7.333 1.00 1.12 H new ATOM 0 HD23 LEU A 111 6.219 -2.707 6.625 1.00 1.12 H new ATOM 1800 N LYS A 112 8.135 -6.894 4.843 1.00 1.00 N ATOM 1801 CA LYS A 112 8.885 -7.412 3.663 1.00 1.04 C ATOM 1802 C LYS A 112 8.062 -7.473 2.375 1.00 1.02 C ATOM 1803 O LYS A 112 8.252 -6.695 1.457 1.00 1.04 O ATOM 1804 CB LYS A 112 9.334 -8.830 4.012 1.00 1.06 C ATOM 1805 CG LYS A 112 10.253 -9.389 2.906 1.00 1.12 C ATOM 1806 CD LYS A 112 11.366 -10.249 3.522 1.00 1.15 C ATOM 1807 CE LYS A 112 12.010 -11.119 2.439 1.00 1.20 C ATOM 1808 NZ LYS A 112 11.128 -12.285 2.149 1.00 1.17 N ATOM 0 H LYS A 112 8.445 -7.276 5.737 1.00 1.00 H new ATOM 0 HA LYS A 112 9.710 -6.727 3.467 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.862 -8.827 4.966 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.464 -9.475 4.131 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.669 -9.986 2.205 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.691 -8.568 2.338 1.00 1.12 H new ATOM 0 HD2 LYS A 112 12.119 -9.610 3.983 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.956 -10.879 4.311 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.167 -10.534 1.533 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.990 -11.464 2.769 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 11.119 -12.467 1.125 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 11.487 -13.124 2.647 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 10.162 -12.078 2.473 1.00 1.17 H new ATOM 1822 N SER A 113 7.195 -8.414 2.279 1.00 0.98 N ATOM 1823 CA SER A 113 6.398 -8.570 1.026 1.00 0.96 C ATOM 1824 C SER A 113 5.509 -7.333 0.764 1.00 0.92 C ATOM 1825 O SER A 113 5.566 -6.709 -0.288 1.00 0.94 O ATOM 1826 CB SER A 113 5.535 -9.827 1.184 1.00 0.92 C ATOM 1827 OG SER A 113 5.554 -10.239 2.541 1.00 0.90 O ATOM 0 H SER A 113 6.991 -9.095 3.011 1.00 0.98 H new ATOM 0 HA SER A 113 7.067 -8.664 0.171 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.512 -9.622 0.868 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.913 -10.625 0.544 1.00 0.92 H new ATOM 0 HG SER A 113 5.606 -11.217 2.585 1.00 0.90 H new ATOM 1833 N THR A 114 4.679 -6.996 1.702 1.00 0.88 N ATOM 1834 CA THR A 114 3.766 -5.825 1.537 1.00 0.85 C ATOM 1835 C THR A 114 4.547 -4.650 0.927 1.00 0.89 C ATOM 1836 O THR A 114 4.045 -3.914 0.101 1.00 0.89 O ATOM 1837 CB THR A 114 3.169 -5.471 2.925 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.787 -5.188 2.783 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.857 -4.257 3.563 1.00 0.84 C ATOM 0 H THR A 114 4.588 -7.486 2.592 1.00 0.88 H new ATOM 0 HA THR A 114 2.946 -6.058 0.858 1.00 0.85 H new ATOM 0 HB THR A 114 3.329 -6.330 3.577 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.407 -4.966 3.659 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.404 -4.050 4.532 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.918 -4.469 3.696 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.739 -3.389 2.914 1.00 0.84 H new ATOM 1847 N LEU A 115 5.777 -4.490 1.323 1.00 0.95 N ATOM 1848 CA LEU A 115 6.608 -3.398 0.782 1.00 1.00 C ATOM 1849 C LEU A 115 6.852 -3.661 -0.695 1.00 1.02 C ATOM 1850 O LEU A 115 6.732 -2.785 -1.508 1.00 1.02 O ATOM 1851 CB LEU A 115 7.953 -3.366 1.517 1.00 1.06 C ATOM 1852 CG LEU A 115 7.785 -2.826 2.946 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.114 -2.969 3.696 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.359 -1.349 2.918 1.00 1.06 C ATOM 0 H LEU A 115 6.243 -5.083 2.010 1.00 0.95 H new ATOM 0 HA LEU A 115 6.100 -2.443 0.916 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.377 -4.369 1.551 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.657 -2.741 0.968 1.00 1.06 H new ATOM 0 HG LEU A 115 7.009 -3.398 3.455 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.002 -2.588 4.711 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.400 -4.020 3.733 1.00 1.09 H new ATOM 0 HD13 LEU A 115 9.887 -2.401 3.178 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.245 -0.984 3.939 1.00 1.06 H new ATOM 0 HD22 LEU A 115 8.120 -0.761 2.405 1.00 1.06 H new ATOM 0 HD23 LEU A 115 6.410 -1.254 2.390 1.00 1.06 H new ATOM 1866 N ARG A 116 7.198 -4.862 -1.056 1.00 1.03 N ATOM 1867 CA ARG A 116 7.449 -5.146 -2.499 1.00 1.05 C ATOM 1868 C ARG A 116 6.305 -4.582 -3.367 1.00 1.01 C ATOM 1869 O ARG A 116 6.534 -3.871 -4.325 1.00 1.04 O ATOM 1870 CB ARG A 116 7.548 -6.676 -2.686 1.00 1.04 C ATOM 1871 CG ARG A 116 8.975 -7.080 -3.066 1.00 1.10 C ATOM 1872 CD ARG A 116 9.101 -8.608 -3.108 1.00 1.10 C ATOM 1873 NE ARG A 116 9.349 -9.125 -1.734 1.00 1.16 N ATOM 1874 CZ ARG A 116 9.206 -10.398 -1.482 1.00 1.17 C ATOM 1875 NH1 ARG A 116 8.844 -11.214 -2.433 1.00 1.13 N ATOM 1876 NH2 ARG A 116 9.428 -10.854 -0.281 1.00 1.23 N ATOM 0 H ARG A 116 7.318 -5.654 -0.424 1.00 1.03 H new ATOM 0 HA ARG A 116 8.378 -4.668 -2.810 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.254 -7.180 -1.765 1.00 1.04 H new ATOM 0 HB3 ARG A 116 6.854 -6.999 -3.462 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.233 -6.660 -4.038 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.681 -6.670 -2.344 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.190 -9.047 -3.514 1.00 1.10 H new ATOM 0 HD3 ARG A 116 9.917 -8.898 -3.770 1.00 1.10 H new ATOM 0 HE ARG A 116 9.630 -8.486 -0.991 1.00 1.16 H new ATOM 0 HH11 ARG A 116 8.673 -10.857 -3.373 1.00 1.13 H new ATOM 0 HH12 ARG A 116 8.732 -12.209 -2.236 1.00 1.13 H new ATOM 0 HH21 ARG A 116 9.713 -10.216 0.462 1.00 1.23 H new ATOM 0 HH22 ARG A 116 9.316 -11.849 -0.084 1.00 1.23 H new ATOM 1890 N VAL A 117 5.086 -4.929 -3.060 1.00 0.95 N ATOM 1891 CA VAL A 117 3.933 -4.456 -3.893 1.00 0.91 C ATOM 1892 C VAL A 117 3.755 -2.936 -3.799 1.00 0.92 C ATOM 1893 O VAL A 117 3.668 -2.255 -4.802 1.00 0.94 O ATOM 1894 CB VAL A 117 2.644 -5.186 -3.432 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.390 -4.349 -3.738 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.525 -6.528 -4.165 1.00 0.85 C ATOM 0 H VAL A 117 4.833 -5.520 -2.268 1.00 0.95 H new ATOM 0 HA VAL A 117 4.136 -4.691 -4.938 1.00 0.91 H new ATOM 0 HB VAL A 117 2.712 -5.340 -2.355 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.503 -4.887 -3.403 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.454 -3.394 -3.216 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.324 -4.172 -4.812 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.619 -7.041 -3.841 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.478 -6.353 -5.240 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.393 -7.146 -3.936 1.00 0.85 H new ATOM 1906 N LEU A 118 3.664 -2.402 -2.624 1.00 0.91 N ATOM 1907 CA LEU A 118 3.451 -0.939 -2.498 1.00 0.92 C ATOM 1908 C LEU A 118 4.559 -0.190 -3.220 1.00 0.98 C ATOM 1909 O LEU A 118 4.321 0.791 -3.886 1.00 1.00 O ATOM 1910 CB LEU A 118 3.432 -0.566 -1.027 1.00 0.92 C ATOM 1911 CG LEU A 118 2.112 -1.052 -0.392 1.00 0.86 C ATOM 1912 CD1 LEU A 118 2.317 -1.243 1.101 1.00 0.86 C ATOM 1913 CD2 LEU A 118 0.995 -0.020 -0.613 1.00 0.81 C ATOM 0 H LEU A 118 3.727 -2.912 -1.743 1.00 0.91 H new ATOM 0 HA LEU A 118 2.498 -0.665 -2.951 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.282 -1.017 -0.515 1.00 0.92 H new ATOM 0 HB3 LEU A 118 3.527 0.514 -0.913 1.00 0.92 H new ATOM 0 HG LEU A 118 1.824 -1.993 -0.860 1.00 0.86 H new ATOM 0 HD11 LEU A 118 1.387 -1.586 1.555 1.00 0.86 H new ATOM 0 HD12 LEU A 118 3.098 -1.984 1.269 1.00 0.86 H new ATOM 0 HD13 LEU A 118 2.613 -0.296 1.552 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.072 -0.380 -0.158 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.279 0.928 -0.155 1.00 0.81 H new ATOM 0 HD23 LEU A 118 0.840 0.125 -1.682 1.00 0.81 H new ATOM 1925 N TYR A 119 5.764 -0.652 -3.125 1.00 1.03 N ATOM 1926 CA TYR A 119 6.864 0.029 -3.845 1.00 1.09 C ATOM 1927 C TYR A 119 6.471 0.070 -5.309 1.00 1.08 C ATOM 1928 O TYR A 119 6.448 1.100 -5.947 1.00 1.11 O ATOM 1929 CB TYR A 119 8.136 -0.794 -3.690 1.00 1.13 C ATOM 1930 CG TYR A 119 9.302 -0.014 -4.223 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.892 0.982 -3.444 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.784 -0.290 -5.498 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.978 1.708 -3.947 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.870 0.432 -6.008 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.468 1.433 -5.230 1.00 1.34 C ATOM 1936 OH TYR A 119 12.538 2.148 -5.729 1.00 1.41 O ATOM 0 H TYR A 119 6.037 -1.471 -2.581 1.00 1.03 H new ATOM 0 HA TYR A 119 7.036 1.033 -3.456 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.298 -1.040 -2.640 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.040 -1.738 -4.227 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.512 1.192 -2.455 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.321 -1.061 -6.095 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.437 2.479 -3.347 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.246 0.218 -6.998 1.00 1.31 H new ATOM 0 HH TYR A 119 12.751 1.830 -6.631 1.00 1.41 H new ATOM 1946 N ASN A 120 6.137 -1.072 -5.821 1.00 1.06 N ATOM 1947 CA ASN A 120 5.704 -1.184 -7.234 1.00 1.05 C ATOM 1948 C ASN A 120 4.702 -0.055 -7.552 1.00 1.03 C ATOM 1949 O ASN A 120 4.703 0.510 -8.633 1.00 1.05 O ATOM 1950 CB ASN A 120 5.034 -2.569 -7.413 1.00 1.01 C ATOM 1951 CG ASN A 120 5.437 -3.191 -8.757 1.00 1.04 C ATOM 1952 OD1 ASN A 120 6.606 -3.384 -9.024 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.510 -3.513 -9.618 1.00 1.06 N ATOM 0 H ASN A 120 6.146 -1.954 -5.308 1.00 1.06 H new ATOM 0 HA ASN A 120 6.552 -1.091 -7.912 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.327 -3.230 -6.597 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.950 -2.464 -7.364 1.00 1.01 H new ATOM 0 HD21 ASN A 120 4.768 -3.926 -10.514 1.00 1.06 H new ATOM 0 HD22 ASN A 120 3.528 -3.351 -9.395 1.00 1.06 H new ATOM 1960 N LEU A 121 3.849 0.283 -6.617 1.00 0.99 N ATOM 1961 CA LEU A 121 2.862 1.363 -6.876 1.00 0.97 C ATOM 1962 C LEU A 121 3.571 2.709 -6.854 1.00 1.03 C ATOM 1963 O LEU A 121 3.624 3.387 -7.846 1.00 1.05 O ATOM 1964 CB LEU A 121 1.783 1.363 -5.789 1.00 0.92 C ATOM 1965 CG LEU A 121 0.664 0.356 -6.126 1.00 0.87 C ATOM 1966 CD1 LEU A 121 -0.025 -0.100 -4.830 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.375 1.013 -7.052 1.00 0.87 C ATOM 0 H LEU A 121 3.797 -0.143 -5.692 1.00 0.99 H new ATOM 0 HA LEU A 121 2.401 1.192 -7.849 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.229 1.109 -4.828 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.361 2.363 -5.690 1.00 0.92 H new ATOM 0 HG LEU A 121 1.102 -0.505 -6.632 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -0.815 -0.811 -5.069 1.00 0.86 H new ATOM 0 HD12 LEU A 121 0.707 -0.576 -4.177 1.00 0.86 H new ATOM 0 HD13 LEU A 121 -0.455 0.764 -4.323 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.161 0.295 -7.284 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.811 1.879 -6.554 1.00 0.87 H new ATOM 0 HD23 LEU A 121 0.110 1.332 -7.975 1.00 0.87 H new ATOM 1979 N PHE A 122 4.106 3.106 -5.721 1.00 1.05 N ATOM 1980 CA PHE A 122 4.792 4.419 -5.633 1.00 1.11 C ATOM 1981 C PHE A 122 5.607 4.660 -6.876 1.00 1.16 C ATOM 1982 O PHE A 122 5.817 5.769 -7.297 1.00 1.20 O ATOM 1983 CB PHE A 122 5.735 4.393 -4.410 1.00 1.14 C ATOM 1984 CG PHE A 122 5.885 5.777 -3.855 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.764 6.392 -3.344 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.122 6.431 -3.853 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.850 7.687 -2.814 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.221 7.725 -3.326 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.082 8.354 -2.805 1.00 1.27 C ATOM 0 H PHE A 122 4.092 2.568 -4.854 1.00 1.05 H new ATOM 0 HA PHE A 122 4.053 5.214 -5.533 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.336 3.726 -3.646 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.710 4.000 -4.699 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.816 5.875 -3.352 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.996 5.941 -4.256 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.970 8.169 -2.414 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.172 8.237 -3.321 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.154 9.351 -2.397 1.00 1.27 H new ATOM 1999 N THR A 123 6.040 3.624 -7.468 1.00 1.15 N ATOM 2000 CA THR A 123 6.846 3.776 -8.699 1.00 1.20 C ATOM 2001 C THR A 123 5.946 4.204 -9.851 1.00 1.18 C ATOM 2002 O THR A 123 6.223 5.153 -10.557 1.00 1.22 O ATOM 2003 CB THR A 123 7.512 2.441 -9.041 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.375 2.060 -7.978 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.322 2.587 -10.330 1.00 1.27 C ATOM 0 H THR A 123 5.879 2.664 -7.164 1.00 1.15 H new ATOM 0 HA THR A 123 7.612 4.535 -8.538 1.00 1.20 H new ATOM 0 HB THR A 123 6.746 1.678 -9.181 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.843 1.705 -7.236 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.795 1.635 -10.572 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.660 2.880 -11.145 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.089 3.349 -10.193 1.00 1.27 H new ATOM 2013 N LYS A 124 4.886 3.493 -10.059 1.00 1.12 N ATOM 2014 CA LYS A 124 3.982 3.810 -11.200 1.00 1.10 C ATOM 2015 C LYS A 124 3.093 5.033 -10.951 1.00 1.10 C ATOM 2016 O LYS A 124 2.573 5.600 -11.892 1.00 1.11 O ATOM 2017 CB LYS A 124 3.076 2.610 -11.451 1.00 1.04 C ATOM 2018 CG LYS A 124 3.915 1.363 -11.732 1.00 1.04 C ATOM 2019 CD LYS A 124 3.036 0.100 -11.578 1.00 0.99 C ATOM 2020 CE LYS A 124 3.431 -0.927 -12.641 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.558 -2.126 -12.532 1.00 0.92 N ATOM 0 H LYS A 124 4.599 2.699 -9.487 1.00 1.12 H new ATOM 0 HA LYS A 124 4.618 4.036 -12.056 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.438 2.440 -10.584 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.418 2.812 -12.296 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.328 1.410 -12.740 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.759 1.317 -11.043 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.162 -0.325 -10.582 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.983 0.361 -11.683 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.340 -0.489 -13.635 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.475 -1.213 -12.513 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.148 -2.978 -12.440 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.947 -2.036 -11.695 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 1.968 -2.204 -13.385 1.00 0.92 H new ATOM 2035 N TYR A 125 2.871 5.432 -9.722 1.00 1.10 N ATOM 2036 CA TYR A 125 1.962 6.601 -9.471 1.00 1.11 C ATOM 2037 C TYR A 125 2.760 7.833 -9.036 1.00 1.17 C ATOM 2038 O TYR A 125 2.262 8.940 -9.045 1.00 1.20 O ATOM 2039 CB TYR A 125 0.954 6.215 -8.392 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.080 5.268 -8.977 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.251 3.931 -9.255 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.374 5.734 -9.247 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.711 3.070 -9.799 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.332 4.871 -9.790 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.001 3.540 -10.066 1.00 0.90 C ATOM 2046 OH TYR A 125 -2.948 2.691 -10.601 1.00 0.86 O ATOM 0 H TYR A 125 3.274 5.006 -8.888 1.00 1.10 H new ATOM 0 HA TYR A 125 1.440 6.855 -10.394 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.466 5.739 -7.555 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.465 7.107 -8.001 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.247 3.567 -9.049 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.632 6.761 -9.035 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.456 2.042 -10.012 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.328 5.233 -9.996 1.00 0.94 H new ATOM 0 HH TYR A 125 -3.791 3.176 -10.723 1.00 0.86 H new ATOM 2056 N ARG A 126 3.986 7.646 -8.655 1.00 1.20 N ATOM 2057 CA ARG A 126 4.840 8.779 -8.217 1.00 1.27 C ATOM 2058 C ARG A 126 4.652 9.990 -9.148 1.00 1.31 C ATOM 2059 O ARG A 126 4.808 11.125 -8.746 1.00 1.35 O ATOM 2060 CB ARG A 126 6.302 8.266 -8.225 1.00 1.31 C ATOM 2061 CG ARG A 126 7.262 9.311 -8.793 1.00 1.38 C ATOM 2062 CD ARG A 126 8.713 8.805 -8.715 1.00 1.42 C ATOM 2063 NE ARG A 126 9.628 9.965 -8.519 1.00 1.49 N ATOM 2064 CZ ARG A 126 10.860 9.768 -8.136 1.00 1.52 C ATOM 2065 NH1 ARG A 126 11.294 8.555 -7.928 1.00 1.50 N ATOM 2066 NH2 ARG A 126 11.659 10.785 -7.962 1.00 1.59 N ATOM 0 H ARG A 126 4.444 6.735 -8.628 1.00 1.20 H new ATOM 0 HA ARG A 126 4.568 9.118 -7.218 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.603 8.008 -7.210 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.365 7.353 -8.818 1.00 1.31 H new ATOM 0 HG2 ARG A 126 7.001 9.529 -9.829 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.165 10.244 -8.237 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.820 8.099 -7.892 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.974 8.271 -9.629 1.00 1.42 H new ATOM 0 HE ARG A 126 9.291 10.913 -8.684 1.00 1.49 H new ATOM 0 HH11 ARG A 126 10.670 7.760 -8.065 1.00 1.50 H new ATOM 0 HH12 ARG A 126 12.257 8.402 -7.629 1.00 1.50 H new ATOM 0 HH21 ARG A 126 11.321 11.733 -8.125 1.00 1.59 H new ATOM 0 HH22 ARG A 126 12.622 10.632 -7.663 1.00 1.59 H new ATOM 2080 N ASN A 127 4.343 9.749 -10.384 1.00 1.30 N ATOM 2081 CA ASN A 127 4.170 10.863 -11.355 1.00 1.33 C ATOM 2082 C ASN A 127 2.723 11.327 -11.307 1.00 1.29 C ATOM 2083 O ASN A 127 2.383 12.432 -11.681 1.00 1.31 O ATOM 2084 CB ASN A 127 4.513 10.325 -12.755 1.00 1.35 C ATOM 2085 CG ASN A 127 5.940 10.724 -13.152 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.138 11.450 -14.106 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.948 10.278 -12.453 1.00 1.46 N ATOM 0 H ASN A 127 4.200 8.816 -10.772 1.00 1.30 H new ATOM 0 HA ASN A 127 4.820 11.705 -11.115 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.417 9.239 -12.767 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.804 10.716 -13.485 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.901 10.539 -12.708 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.783 9.669 -11.652 1.00 1.46 H new ATOM 2094 N VAL A 128 1.880 10.469 -10.847 1.00 1.23 N ATOM 2095 CA VAL A 128 0.435 10.785 -10.748 1.00 1.18 C ATOM 2096 C VAL A 128 0.125 11.235 -9.328 1.00 1.15 C ATOM 2097 O VAL A 128 0.617 10.697 -8.356 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.353 9.523 -11.101 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.806 9.641 -10.623 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.336 9.322 -12.619 1.00 1.17 C ATOM 0 H VAL A 128 2.133 9.535 -10.525 1.00 1.23 H new ATOM 0 HA VAL A 128 0.159 11.586 -11.434 1.00 1.18 H new ATOM 0 HB VAL A 128 0.112 8.671 -10.605 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.350 8.733 -10.884 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.823 9.776 -9.542 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.279 10.498 -11.104 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.897 8.423 -12.873 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.792 10.184 -13.105 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.694 9.216 -12.960 1.00 1.17 H new ATOM 2110 N GLU A 129 -0.676 12.240 -9.225 1.00 1.19 N ATOM 2111 CA GLU A 129 -1.044 12.799 -7.908 1.00 1.17 C ATOM 2112 C GLU A 129 -1.882 11.784 -7.122 1.00 1.11 C ATOM 2113 O GLU A 129 -2.867 11.311 -7.666 1.00 1.08 O ATOM 2114 CB GLU A 129 -1.836 14.096 -8.145 1.00 1.21 C ATOM 2115 CG GLU A 129 -1.407 14.715 -9.489 1.00 1.28 C ATOM 2116 CD GLU A 129 -1.690 16.220 -9.490 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -2.633 16.627 -8.831 1.00 1.32 O ATOM 2118 OE2 GLU A 129 -0.959 16.940 -10.150 1.00 1.30 O ATOM 2119 OXT GLU A 129 -1.523 11.497 -5.992 1.00 1.08 O ATOM 0 H GLU A 129 -1.105 12.713 -10.021 1.00 1.19 H new ATOM 0 HA GLU A 129 -0.151 13.016 -7.322 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -2.906 13.886 -8.153 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -1.655 14.800 -7.333 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -0.345 14.537 -9.658 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -1.945 14.236 -10.307 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 20.647 1.059 -4.482 1.00 8.77 N ATOM 2128 CA ASP B 1 20.770 0.371 -3.165 1.00 7.64 C ATOM 2129 C ASP B 1 20.061 1.195 -2.088 1.00 6.39 C ATOM 2130 O ASP B 1 19.120 1.914 -2.361 1.00 5.37 O ATOM 2131 CB ASP B 1 22.250 0.227 -2.804 1.00 8.05 C ATOM 2132 CG ASP B 1 22.986 -0.490 -3.937 1.00 9.22 C ATOM 2133 OD1 ASP B 1 23.019 -1.710 -3.917 1.00 10.03 O ATOM 2134 OD2 ASP B 1 23.502 0.192 -4.807 1.00 9.45 O ATOM 0 H1 ASP B 1 20.977 0.425 -5.237 1.00 8.77 H new ATOM 0 H2 ASP B 1 19.652 1.310 -4.651 1.00 8.77 H new ATOM 0 H3 ASP B 1 21.226 1.923 -4.478 1.00 8.77 H new ATOM 0 HA ASP B 1 20.311 -0.616 -3.226 1.00 7.64 H new ATOM 0 HB2 ASP B 1 22.691 1.209 -2.635 1.00 8.05 H new ATOM 0 HB3 ASP B 1 22.356 -0.334 -1.876 1.00 8.05 H new ATOM 2141 N LEU B 2 20.506 1.095 -0.865 1.00 6.54 N ATOM 2142 CA LEU B 2 19.861 1.872 0.232 1.00 5.60 C ATOM 2143 C LEU B 2 19.876 3.357 -0.118 1.00 4.68 C ATOM 2144 O LEU B 2 18.875 4.041 -0.033 1.00 3.60 O ATOM 2145 CB LEU B 2 20.637 1.659 1.534 1.00 6.47 C ATOM 2146 CG LEU B 2 20.824 0.161 1.795 1.00 7.32 C ATOM 2147 CD1 LEU B 2 21.678 -0.028 3.053 1.00 8.33 C ATOM 2148 CD2 LEU B 2 19.456 -0.506 1.996 1.00 6.54 C ATOM 0 H LEU B 2 21.289 0.508 -0.578 1.00 6.54 H new ATOM 0 HA LEU B 2 18.833 1.533 0.356 1.00 5.60 H new ATOM 0 HB2 LEU B 2 21.608 2.150 1.472 1.00 6.47 H new ATOM 0 HB3 LEU B 2 20.101 2.117 2.365 1.00 6.47 H new ATOM 0 HG LEU B 2 21.322 -0.298 0.941 1.00 7.32 H new ATOM 0 HD11 LEU B 2 21.814 -1.092 3.244 1.00 8.33 H new ATOM 0 HD12 LEU B 2 22.651 0.442 2.907 1.00 8.33 H new ATOM 0 HD13 LEU B 2 21.177 0.432 3.905 1.00 8.33 H new ATOM 0 HD21 LEU B 2 19.594 -1.571 2.181 1.00 6.54 H new ATOM 0 HD22 LEU B 2 18.952 -0.052 2.849 1.00 6.54 H new ATOM 0 HD23 LEU B 2 18.849 -0.369 1.101 1.00 6.54 H new ATOM 2160 N ASP B 3 21.011 3.858 -0.502 1.00 5.20 N ATOM 2161 CA ASP B 3 21.117 5.301 -0.853 1.00 4.64 C ATOM 2162 C ASP B 3 20.054 5.666 -1.891 1.00 3.51 C ATOM 2163 O ASP B 3 19.351 6.642 -1.750 1.00 2.74 O ATOM 2164 CB ASP B 3 22.506 5.580 -1.429 1.00 5.61 C ATOM 2165 CG ASP B 3 22.599 7.047 -1.852 1.00 6.82 C ATOM 2166 OD1 ASP B 3 21.960 7.403 -2.828 1.00 6.92 O ATOM 2167 OD2 ASP B 3 23.309 7.789 -1.193 1.00 7.61 O ATOM 0 H ASP B 3 21.878 3.328 -0.589 1.00 5.20 H new ATOM 0 HA ASP B 3 20.961 5.901 0.044 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.271 5.356 -0.686 1.00 5.61 H new ATOM 0 HB3 ASP B 3 22.693 4.931 -2.285 1.00 5.61 H new ATOM 2172 N ALA B 4 19.939 4.896 -2.938 1.00 3.85 N ATOM 2173 CA ALA B 4 18.928 5.210 -3.991 1.00 3.42 C ATOM 2174 C ALA B 4 17.537 5.361 -3.365 1.00 2.89 C ATOM 2175 O ALA B 4 16.852 6.341 -3.585 1.00 2.66 O ATOM 2176 CB ALA B 4 18.902 4.079 -5.021 1.00 4.60 C ATOM 0 H ALA B 4 20.501 4.062 -3.111 1.00 3.85 H new ATOM 0 HA ALA B 4 19.200 6.147 -4.476 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.165 4.305 -5.791 1.00 4.60 H new ATOM 0 HB2 ALA B 4 19.886 3.981 -5.479 1.00 4.60 H new ATOM 0 HB3 ALA B 4 18.636 3.144 -4.528 1.00 4.60 H new ATOM 2182 N LEU B 5 17.108 4.397 -2.598 1.00 3.21 N ATOM 2183 CA LEU B 5 15.762 4.479 -1.973 1.00 2.91 C ATOM 2184 C LEU B 5 15.618 5.798 -1.206 1.00 1.92 C ATOM 2185 O LEU B 5 14.728 6.586 -1.469 1.00 2.42 O ATOM 2186 CB LEU B 5 15.600 3.303 -1.006 1.00 3.33 C ATOM 2187 CG LEU B 5 15.446 1.985 -1.792 1.00 4.74 C ATOM 2188 CD1 LEU B 5 15.838 0.804 -0.899 1.00 5.26 C ATOM 2189 CD2 LEU B 5 13.990 1.800 -2.249 1.00 5.44 C ATOM 0 H LEU B 5 17.636 3.553 -2.377 1.00 3.21 H new ATOM 0 HA LEU B 5 14.995 4.438 -2.746 1.00 2.91 H new ATOM 0 HB2 LEU B 5 16.466 3.243 -0.347 1.00 3.33 H new ATOM 0 HB3 LEU B 5 14.727 3.461 -0.372 1.00 3.33 H new ATOM 0 HG LEU B 5 16.096 2.025 -2.666 1.00 4.74 H new ATOM 0 HD11 LEU B 5 15.728 -0.126 -1.457 1.00 5.26 H new ATOM 0 HD12 LEU B 5 16.875 0.916 -0.581 1.00 5.26 H new ATOM 0 HD13 LEU B 5 15.190 0.780 -0.023 1.00 5.26 H new ATOM 0 HD21 LEU B 5 13.898 0.865 -2.802 1.00 5.44 H new ATOM 0 HD22 LEU B 5 13.336 1.772 -1.378 1.00 5.44 H new ATOM 0 HD23 LEU B 5 13.702 2.632 -2.892 1.00 5.44 H new ATOM 2201 N LEU B 6 16.479 6.042 -0.258 1.00 1.59 N ATOM 2202 CA LEU B 6 16.384 7.306 0.526 1.00 2.01 C ATOM 2203 C LEU B 6 16.289 8.494 -0.434 1.00 2.52 C ATOM 2204 O LEU B 6 15.544 9.426 -0.211 1.00 3.51 O ATOM 2205 CB LEU B 6 17.627 7.448 1.410 1.00 2.97 C ATOM 2206 CG LEU B 6 17.440 8.609 2.411 1.00 3.38 C ATOM 2207 CD1 LEU B 6 16.652 8.134 3.639 1.00 4.76 C ATOM 2208 CD2 LEU B 6 18.812 9.119 2.868 1.00 3.25 C ATOM 0 H LEU B 6 17.244 5.422 0.008 1.00 1.59 H new ATOM 0 HA LEU B 6 15.495 7.283 1.156 1.00 2.01 H new ATOM 0 HB2 LEU B 6 17.806 6.518 1.950 1.00 2.97 H new ATOM 0 HB3 LEU B 6 18.504 7.631 0.790 1.00 2.97 H new ATOM 0 HG LEU B 6 16.889 9.409 1.917 1.00 3.38 H new ATOM 0 HD11 LEU B 6 16.528 8.964 4.335 1.00 4.76 H new ATOM 0 HD12 LEU B 6 15.672 7.774 3.326 1.00 4.76 H new ATOM 0 HD13 LEU B 6 17.195 7.326 4.130 1.00 4.76 H new ATOM 0 HD21 LEU B 6 18.679 9.938 3.574 1.00 3.25 H new ATOM 0 HD22 LEU B 6 19.359 8.309 3.351 1.00 3.25 H new ATOM 0 HD23 LEU B 6 19.375 9.473 2.004 1.00 3.25 H new ATOM 2220 N ALA B 7 17.033 8.465 -1.505 1.00 2.20 N ATOM 2221 CA ALA B 7 16.977 9.588 -2.479 1.00 2.86 C ATOM 2222 C ALA B 7 15.526 9.802 -2.905 1.00 3.63 C ATOM 2223 O ALA B 7 15.058 10.917 -3.018 1.00 4.63 O ATOM 2224 CB ALA B 7 17.829 9.246 -3.704 1.00 2.54 C ATOM 0 H ALA B 7 17.677 7.712 -1.747 1.00 2.20 H new ATOM 0 HA ALA B 7 17.363 10.497 -2.019 1.00 2.86 H new ATOM 0 HB1 ALA B 7 17.788 10.069 -4.417 1.00 2.54 H new ATOM 0 HB2 ALA B 7 18.862 9.085 -3.395 1.00 2.54 H new ATOM 0 HB3 ALA B 7 17.445 8.340 -4.173 1.00 2.54 H new ATOM 2230 N ASP B 8 14.805 8.738 -3.132 1.00 3.56 N ATOM 2231 CA ASP B 8 13.382 8.880 -3.538 1.00 4.78 C ATOM 2232 C ASP B 8 12.621 9.604 -2.428 1.00 5.44 C ATOM 2233 O ASP B 8 11.840 10.500 -2.679 1.00 6.57 O ATOM 2234 CB ASP B 8 12.770 7.495 -3.761 1.00 5.06 C ATOM 2235 CG ASP B 8 11.347 7.648 -4.302 1.00 5.28 C ATOM 2236 OD1 ASP B 8 11.144 8.503 -5.147 1.00 5.79 O ATOM 2237 OD2 ASP B 8 10.484 6.906 -3.861 1.00 5.19 O ATOM 0 H ASP B 8 15.141 7.778 -3.053 1.00 3.56 H new ATOM 0 HA ASP B 8 13.318 9.451 -4.464 1.00 4.78 H new ATOM 0 HB2 ASP B 8 13.378 6.926 -4.464 1.00 5.06 H new ATOM 0 HB3 ASP B 8 12.757 6.936 -2.825 1.00 5.06 H new ATOM 2242 N LEU B 9 12.849 9.228 -1.198 1.00 4.79 N ATOM 2243 CA LEU B 9 12.143 9.905 -0.073 1.00 5.50 C ATOM 2244 C LEU B 9 12.448 11.406 -0.124 1.00 6.37 C ATOM 2245 O LEU B 9 11.631 12.202 -0.543 1.00 7.54 O ATOM 2246 CB LEU B 9 12.628 9.325 1.265 1.00 4.72 C ATOM 2247 CG LEU B 9 11.888 8.020 1.569 1.00 3.99 C ATOM 2248 CD1 LEU B 9 12.222 6.976 0.503 1.00 3.18 C ATOM 2249 CD2 LEU B 9 12.321 7.501 2.940 1.00 4.98 C ATOM 0 H LEU B 9 13.491 8.484 -0.925 1.00 4.79 H new ATOM 0 HA LEU B 9 11.069 9.744 -0.163 1.00 5.50 H new ATOM 0 HB2 LEU B 9 13.702 9.143 1.224 1.00 4.72 H new ATOM 0 HB3 LEU B 9 12.457 10.044 2.066 1.00 4.72 H new ATOM 0 HG LEU B 9 10.814 8.205 1.568 1.00 3.99 H new ATOM 0 HD11 LEU B 9 11.693 6.049 0.723 1.00 3.18 H new ATOM 0 HD12 LEU B 9 11.916 7.345 -0.476 1.00 3.18 H new ATOM 0 HD13 LEU B 9 13.296 6.789 0.500 1.00 3.18 H new ATOM 0 HD21 LEU B 9 11.796 6.572 3.160 1.00 4.98 H new ATOM 0 HD22 LEU B 9 13.396 7.319 2.937 1.00 4.98 H new ATOM 0 HD23 LEU B 9 12.081 8.242 3.702 1.00 4.98 H new ATOM 2261 N GLU B 10 13.619 11.797 0.303 1.00 5.97 N ATOM 2262 CA GLU B 10 13.982 13.238 0.287 1.00 6.96 C ATOM 2263 C GLU B 10 13.615 13.852 -1.070 1.00 7.65 C ATOM 2264 O GLU B 10 14.260 13.510 -2.047 1.00 8.69 O ATOM 2265 CB GLU B 10 15.487 13.398 0.564 1.00 6.57 C ATOM 2266 CG GLU B 10 16.183 12.101 0.215 1.00 6.56 C ATOM 2267 CD GLU B 10 17.689 12.330 0.061 1.00 6.60 C ATOM 2268 OE1 GLU B 10 18.112 12.628 -1.044 1.00 7.16 O ATOM 2269 OE2 GLU B 10 18.392 12.203 1.050 1.00 6.36 O ATOM 2270 OXT GLU B 10 12.694 14.652 -1.106 1.00 7.20 O ATOM 0 H GLU B 10 14.342 11.174 0.664 1.00 5.97 H new ATOM 0 HA GLU B 10 13.427 13.760 1.066 1.00 6.96 H new ATOM 0 HB2 GLU B 10 15.895 14.217 -0.027 1.00 6.57 H new ATOM 0 HB3 GLU B 10 15.654 13.647 1.612 1.00 6.57 H new ATOM 0 HG2 GLU B 10 15.999 11.361 0.994 1.00 6.56 H new ATOM 0 HG3 GLU B 10 15.773 11.698 -0.711 1.00 6.56 H new TER 2277 GLU B 10