USER MOD reduce.3.24.130724 H: found=0, std=0, add=1314, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1308 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 124 TYR OH : rot -164:sc= 0.981 USER MOD Set 1.2: A 128 TYR OH : rot 40:sc= 0.244 USER MOD Set 1.3: A 168 HIS : no HD1:sc= -1.22! C(o=0.0029!,f=-14!) USER MOD Set 2.1: A 87 LYS NZ :NH3+ -142:sc= 0.605 (180deg=-2.77) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0.0151 USER MOD Set 3.1: A 33 HIS : no HE2:sc= -0.945 K(o=0.74,f=-5.5!) USER MOD Set 3.2: A 77 HIS : +bothHN:sc= 1.69 K(o=0.74,f=-12!) USER MOD Set 4.1: A 26 THR OG1 : rot 134:sc= 1.3 USER MOD Set 4.2: A 29 SER OG : rot 49:sc= 1.18 USER MOD Set 5.1: A 22 SER OG : rot 172:sc= 2.08 USER MOD Set 5.2: A 25 THR OG1 : rot 10:sc= 0.89 USER MOD Set 6.1: A 12 GLN : amide:sc= -0.545 K(o=-0.46,f=-1.9!) USER MOD Set 6.2: A 91 SER OG : rot 79:sc= 0.0816 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.885) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 1.03 (180deg=0.488) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0478 F(o=-0.57,f=-0.048) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -124:sc= -0.463 USER MOD Single : A 46 MET CE :methyl 154:sc= -1.4 (180deg=-3.37!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0.697 (180deg=0.611) USER MOD Single : A 54 SER OG : rot -139:sc= 0.668 USER MOD Single : A 61 THR OG1 : rot -170:sc= -0.662 USER MOD Single : A 62 TYR OH : rot 31:sc= 0.447 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 131:sc= -0.498 (180deg=-2.48) USER MOD Single : A 73 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -80:sc= -0.434 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.209 F(o=-1.2,f=-0.21) USER MOD Single : A 101 HIS : no HE2:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= 0.474 (180deg=0.388) USER MOD Single : A 106 LYS NZ :NH3+ 173:sc= 0.987 (180deg=0.94) USER MOD Single : A 113 LYS NZ :NH3+ -159:sc= 0.752 (180deg=0.00356) USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.162 USER MOD Single : A 119 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.31) USER MOD Single : A 120 HIS : no HD1:sc= 0.832 K(o=0.83,f=-4.3!) USER MOD Single : A 127 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl -171:sc= 0 (180deg=-0.122) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 156 HIS :FLIP no HE2:sc= -2.17 F(o=-2.8!,f=-2.2) USER MOD Single : A 158 SER OG : rot 140:sc= -0.336 USER MOD Single : A 161 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.18) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 166 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.17) USER MOD Single : A 167 TYR OH : rot -99:sc= 0.756 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 173 HIS : no HD1:sc= -0.96 K(o=-0.96,f=-3.7!) USER MOD Single : A 174 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.18) USER MOD Single : A 175 CYS SG : rot 180:sc= 0.0825 USER MOD Single : A 179 LYS NZ :NH3+ 151:sc= 1.16 (180deg=-0.85!) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 -14.718 9.054 4.863 1.00 4.03 N ATOM 93 CA LYS A 8 -15.281 9.087 3.521 1.00 71.33 C ATOM 94 C LYS A 8 -14.531 8.092 2.641 1.00 45.41 C ATOM 95 O LYS A 8 -14.918 7.823 1.504 1.00 3.41 O ATOM 96 CB LYS A 8 -15.216 10.496 2.920 1.00 10.23 C ATOM 97 CG LYS A 8 -13.835 10.909 2.440 1.00 35.53 C ATOM 98 CD LYS A 8 -12.982 11.468 3.560 1.00 42.13 C ATOM 99 CE LYS A 8 -11.686 12.024 3.012 1.00 70.03 C ATOM 100 NZ LYS A 8 -10.686 12.279 4.080 1.00 34.22 N ATOM 0 HA LYS A 8 -16.333 8.808 3.575 1.00 71.33 H new ATOM 0 HB2 LYS A 8 -15.911 10.553 2.082 1.00 10.23 H new ATOM 0 HB3 LYS A 8 -15.557 11.213 3.667 1.00 10.23 H new ATOM 0 HG2 LYS A 8 -13.333 10.048 1.999 1.00 35.53 H new ATOM 0 HG3 LYS A 8 -13.935 11.657 1.654 1.00 35.53 H new ATOM 0 HD2 LYS A 8 -13.528 12.252 4.084 1.00 42.13 H new ATOM 0 HD3 LYS A 8 -12.770 10.686 4.289 1.00 42.13 H new ATOM 0 HE2 LYS A 8 -11.270 11.324 2.288 1.00 70.03 H new ATOM 0 HE3 LYS A 8 -11.889 12.952 2.478 1.00 70.03 H new ATOM 0 HZ1 LYS A 8 -9.982 12.964 3.740 1.00 34.22 H new ATOM 0 HZ2 LYS A 8 -11.165 12.663 4.920 1.00 34.22 H new ATOM 0 HZ3 LYS A 8 -10.210 11.389 4.330 1.00 34.22 H new ATOM 114 N GLU A 9 -13.448 7.567 3.194 1.00 2.13 N ATOM 115 CA GLU A 9 -12.612 6.585 2.529 1.00 34.25 C ATOM 116 C GLU A 9 -13.363 5.270 2.344 1.00 44.51 C ATOM 117 O GLU A 9 -13.967 4.768 3.288 1.00 61.44 O ATOM 118 CB GLU A 9 -11.343 6.336 3.358 1.00 51.05 C ATOM 119 CG GLU A 9 -10.321 7.471 3.319 1.00 14.04 C ATOM 120 CD GLU A 9 -10.654 8.627 4.245 1.00 24.05 C ATOM 121 OE1 GLU A 9 -11.654 8.548 4.984 1.00 33.15 O ATOM 122 OE2 GLU A 9 -9.910 9.624 4.242 1.00 44.32 O ATOM 0 H GLU A 9 -13.123 7.815 4.128 1.00 2.13 H new ATOM 0 HA GLU A 9 -12.341 6.974 1.547 1.00 34.25 H new ATOM 0 HB2 GLU A 9 -11.631 6.161 4.394 1.00 51.05 H new ATOM 0 HB3 GLU A 9 -10.866 5.423 3.001 1.00 51.05 H new ATOM 0 HG2 GLU A 9 -9.341 7.075 3.586 1.00 14.04 H new ATOM 0 HG3 GLU A 9 -10.246 7.845 2.298 1.00 14.04 H new ATOM 129 N PRO A 10 -13.345 4.707 1.118 1.00 2.22 N ATOM 130 CA PRO A 10 -13.926 3.388 0.829 1.00 24.25 C ATOM 131 C PRO A 10 -13.185 2.272 1.558 1.00 33.51 C ATOM 132 O PRO A 10 -12.114 2.506 2.124 1.00 12.25 O ATOM 133 CB PRO A 10 -13.768 3.234 -0.687 1.00 43.11 C ATOM 134 CG PRO A 10 -12.692 4.185 -1.072 1.00 54.53 C ATOM 135 CD PRO A 10 -12.769 5.322 -0.093 1.00 41.13 C ATOM 0 HA PRO A 10 -14.962 3.320 1.161 1.00 24.25 H new ATOM 0 HB2 PRO A 10 -13.501 2.211 -0.952 1.00 43.11 H new ATOM 0 HB3 PRO A 10 -14.699 3.465 -1.204 1.00 43.11 H new ATOM 0 HG2 PRO A 10 -11.715 3.704 -1.034 1.00 54.53 H new ATOM 0 HG3 PRO A 10 -12.833 4.540 -2.093 1.00 54.53 H new ATOM 0 HD2 PRO A 10 -11.785 5.747 0.104 1.00 41.13 H new ATOM 0 HD3 PRO A 10 -13.396 6.131 -0.468 1.00 41.13 H new ATOM 143 N GLU A 11 -13.760 1.065 1.544 1.00 53.54 N ATOM 144 CA GLU A 11 -13.190 -0.080 2.256 1.00 34.24 C ATOM 145 C GLU A 11 -11.719 -0.304 1.905 1.00 5.44 C ATOM 146 O GLU A 11 -10.929 -0.611 2.778 1.00 54.55 O ATOM 147 CB GLU A 11 -13.989 -1.363 1.983 1.00 1.24 C ATOM 148 CG GLU A 11 -13.956 -1.826 0.535 1.00 64.33 C ATOM 149 CD GLU A 11 -14.325 -3.283 0.389 1.00 5.13 C ATOM 150 OE1 GLU A 11 -13.418 -4.136 0.466 1.00 64.41 O ATOM 151 OE2 GLU A 11 -15.521 -3.579 0.188 1.00 41.31 O ATOM 0 H GLU A 11 -14.624 0.857 1.044 1.00 53.54 H new ATOM 0 HA GLU A 11 -13.253 0.157 3.318 1.00 34.24 H new ATOM 0 HB2 GLU A 11 -13.600 -2.161 2.616 1.00 1.24 H new ATOM 0 HB3 GLU A 11 -15.026 -1.200 2.276 1.00 1.24 H new ATOM 0 HG2 GLU A 11 -14.644 -1.219 -0.054 1.00 64.33 H new ATOM 0 HG3 GLU A 11 -12.958 -1.664 0.127 1.00 64.33 H new ATOM 158 N GLN A 12 -11.358 -0.117 0.636 1.00 14.32 N ATOM 159 CA GLN A 12 -9.983 -0.339 0.184 1.00 61.44 C ATOM 160 C GLN A 12 -9.000 0.657 0.814 1.00 33.25 C ATOM 161 O GLN A 12 -7.826 0.350 0.993 1.00 75.11 O ATOM 162 CB GLN A 12 -9.914 -0.279 -1.348 1.00 13.23 C ATOM 163 CG GLN A 12 -9.999 1.124 -1.932 1.00 55.31 C ATOM 164 CD GLN A 12 -10.362 1.115 -3.401 1.00 73.04 C ATOM 165 OE1 GLN A 12 -9.497 1.054 -4.268 1.00 13.33 O ATOM 166 NE2 GLN A 12 -11.647 1.177 -3.691 1.00 75.51 N ATOM 0 H GLN A 12 -11.998 0.188 -0.098 1.00 14.32 H new ATOM 0 HA GLN A 12 -9.683 -1.333 0.514 1.00 61.44 H new ATOM 0 HB2 GLN A 12 -8.981 -0.738 -1.675 1.00 13.23 H new ATOM 0 HB3 GLN A 12 -10.726 -0.879 -1.759 1.00 13.23 H new ATOM 0 HG2 GLN A 12 -10.742 1.700 -1.380 1.00 55.31 H new ATOM 0 HG3 GLN A 12 -9.042 1.628 -1.800 1.00 55.31 H new ATOM 0 HE21 GLN A 12 -12.337 1.227 -2.942 1.00 75.51 H new ATOM 0 HE22 GLN A 12 -11.951 1.175 -4.665 1.00 75.51 H new ATOM 175 N LEU A 13 -9.489 1.831 1.192 1.00 53.03 N ATOM 176 CA LEU A 13 -8.631 2.856 1.771 1.00 14.41 C ATOM 177 C LEU A 13 -8.538 2.705 3.287 1.00 53.31 C ATOM 178 O LEU A 13 -7.723 3.363 3.929 1.00 24.34 O ATOM 179 CB LEU A 13 -9.136 4.257 1.415 1.00 34.40 C ATOM 180 CG LEU A 13 -8.397 4.959 0.269 1.00 55.15 C ATOM 181 CD1 LEU A 13 -8.584 4.216 -1.036 1.00 51.44 C ATOM 182 CD2 LEU A 13 -8.881 6.385 0.120 1.00 60.11 C ATOM 0 H LEU A 13 -10.470 2.096 1.109 1.00 53.03 H new ATOM 0 HA LEU A 13 -7.635 2.725 1.349 1.00 14.41 H new ATOM 0 HB2 LEU A 13 -10.192 4.187 1.153 1.00 34.40 H new ATOM 0 HB3 LEU A 13 -9.069 4.884 2.304 1.00 34.40 H new ATOM 0 HG LEU A 13 -7.335 4.966 0.514 1.00 55.15 H new ATOM 0 HD11 LEU A 13 -8.049 4.736 -1.831 1.00 51.44 H new ATOM 0 HD12 LEU A 13 -8.192 3.204 -0.938 1.00 51.44 H new ATOM 0 HD13 LEU A 13 -9.645 4.172 -1.281 1.00 51.44 H new ATOM 0 HD21 LEU A 13 -8.346 6.867 -0.698 1.00 60.11 H new ATOM 0 HD22 LEU A 13 -9.950 6.386 -0.095 1.00 60.11 H new ATOM 0 HD23 LEU A 13 -8.697 6.930 1.046 1.00 60.11 H new ATOM 194 N ARG A 14 -9.372 1.842 3.859 1.00 43.30 N ATOM 195 CA ARG A 14 -9.343 1.611 5.301 1.00 63.42 C ATOM 196 C ARG A 14 -9.006 0.153 5.624 1.00 41.54 C ATOM 197 O ARG A 14 -8.885 -0.227 6.788 1.00 33.40 O ATOM 198 CB ARG A 14 -10.678 2.013 5.943 1.00 44.13 C ATOM 199 CG ARG A 14 -11.879 1.253 5.407 1.00 55.54 C ATOM 200 CD ARG A 14 -13.179 1.794 5.978 1.00 4.13 C ATOM 201 NE ARG A 14 -14.349 1.084 5.456 1.00 45.22 N ATOM 202 CZ ARG A 14 -15.410 1.681 4.908 1.00 41.13 C ATOM 203 NH1 ARG A 14 -15.462 3.001 4.800 1.00 60.34 N ATOM 204 NH2 ARG A 14 -16.419 0.950 4.458 1.00 44.35 N ATOM 0 H ARG A 14 -10.070 1.296 3.353 1.00 43.30 H new ATOM 0 HA ARG A 14 -8.556 2.237 5.722 1.00 63.42 H new ATOM 0 HB2 ARG A 14 -10.613 1.855 7.020 1.00 44.13 H new ATOM 0 HB3 ARG A 14 -10.837 3.080 5.786 1.00 44.13 H new ATOM 0 HG2 ARG A 14 -11.900 1.324 4.320 1.00 55.54 H new ATOM 0 HG3 ARG A 14 -11.783 0.196 5.656 1.00 55.54 H new ATOM 0 HD2 ARG A 14 -13.160 1.710 7.065 1.00 4.13 H new ATOM 0 HD3 ARG A 14 -13.264 2.855 5.742 1.00 4.13 H new ATOM 0 HE ARG A 14 -14.353 0.066 5.515 1.00 45.22 H new ATOM 0 HH11 ARG A 14 -14.686 3.571 5.137 1.00 60.34 H new ATOM 0 HH12 ARG A 14 -16.278 3.447 4.380 1.00 60.34 H new ATOM 0 HH21 ARG A 14 -16.384 -0.067 4.531 1.00 44.35 H new ATOM 0 HH22 ARG A 14 -17.231 1.404 4.039 1.00 44.35 H new ATOM 218 N LYS A 15 -8.904 -0.670 4.596 1.00 41.15 N ATOM 219 CA LYS A 15 -8.496 -2.055 4.765 1.00 72.12 C ATOM 220 C LYS A 15 -6.991 -2.215 4.570 1.00 73.10 C ATOM 221 O LYS A 15 -6.360 -1.478 3.810 1.00 63.22 O ATOM 222 CB LYS A 15 -9.272 -2.934 3.772 1.00 33.33 C ATOM 223 CG LYS A 15 -9.080 -4.435 3.940 1.00 13.44 C ATOM 224 CD LYS A 15 -10.068 -5.223 3.082 1.00 74.12 C ATOM 225 CE LYS A 15 -9.945 -4.879 1.602 1.00 73.11 C ATOM 226 NZ LYS A 15 -10.953 -5.589 0.770 1.00 52.25 N ATOM 0 H LYS A 15 -9.099 -0.403 3.631 1.00 41.15 H new ATOM 0 HA LYS A 15 -8.725 -2.370 5.783 1.00 72.12 H new ATOM 0 HB2 LYS A 15 -10.334 -2.708 3.866 1.00 33.33 H new ATOM 0 HB3 LYS A 15 -8.976 -2.658 2.760 1.00 33.33 H new ATOM 0 HG2 LYS A 15 -8.061 -4.706 3.665 1.00 13.44 H new ATOM 0 HG3 LYS A 15 -9.210 -4.705 4.988 1.00 13.44 H new ATOM 0 HD2 LYS A 15 -9.897 -6.290 3.221 1.00 74.12 H new ATOM 0 HD3 LYS A 15 -11.084 -5.017 3.418 1.00 74.12 H new ATOM 0 HE2 LYS A 15 -10.062 -3.803 1.471 1.00 73.11 H new ATOM 0 HE3 LYS A 15 -8.944 -5.136 1.254 1.00 73.11 H new ATOM 0 HZ1 LYS A 15 -10.565 -5.753 -0.181 1.00 52.25 H new ATOM 0 HZ2 LYS A 15 -11.187 -6.501 1.211 1.00 52.25 H new ATOM 0 HZ3 LYS A 15 -11.813 -5.009 0.697 1.00 52.25 H new ATOM 240 N LEU A 16 -6.433 -3.178 5.284 1.00 11.31 N ATOM 241 CA LEU A 16 -5.034 -3.535 5.153 1.00 4.24 C ATOM 242 C LEU A 16 -4.895 -4.990 4.740 1.00 75.44 C ATOM 243 O LEU A 16 -5.699 -5.837 5.122 1.00 50.14 O ATOM 244 CB LEU A 16 -4.270 -3.309 6.463 1.00 24.42 C ATOM 245 CG LEU A 16 -4.096 -1.851 6.889 1.00 61.25 C ATOM 246 CD1 LEU A 16 -3.245 -1.761 8.143 1.00 3.23 C ATOM 247 CD2 LEU A 16 -3.481 -1.031 5.767 1.00 65.12 C ATOM 0 H LEU A 16 -6.940 -3.735 5.972 1.00 11.31 H new ATOM 0 HA LEU A 16 -4.606 -2.891 4.385 1.00 4.24 H new ATOM 0 HB2 LEU A 16 -4.789 -3.841 7.260 1.00 24.42 H new ATOM 0 HB3 LEU A 16 -3.282 -3.760 6.368 1.00 24.42 H new ATOM 0 HG LEU A 16 -5.081 -1.440 7.110 1.00 61.25 H new ATOM 0 HD11 LEU A 16 -3.132 -0.716 8.432 1.00 3.23 H new ATOM 0 HD12 LEU A 16 -3.728 -2.310 8.951 1.00 3.23 H new ATOM 0 HD13 LEU A 16 -2.263 -2.192 7.948 1.00 3.23 H new ATOM 0 HD21 LEU A 16 -3.367 0.003 6.093 1.00 65.12 H new ATOM 0 HD22 LEU A 16 -2.504 -1.441 5.510 1.00 65.12 H new ATOM 0 HD23 LEU A 16 -4.131 -1.066 4.892 1.00 65.12 H new ATOM 259 N PHE A 17 -3.872 -5.261 3.958 1.00 4.21 N ATOM 260 CA PHE A 17 -3.508 -6.609 3.584 1.00 14.54 C ATOM 261 C PHE A 17 -2.381 -7.064 4.497 1.00 71.42 C ATOM 262 O PHE A 17 -1.413 -6.341 4.699 1.00 2.40 O ATOM 263 CB PHE A 17 -3.065 -6.644 2.114 1.00 21.04 C ATOM 264 CG PHE A 17 -2.255 -7.856 1.731 1.00 11.53 C ATOM 265 CD1 PHE A 17 -2.872 -9.024 1.321 1.00 11.43 C ATOM 266 CD2 PHE A 17 -0.868 -7.814 1.770 1.00 74.05 C ATOM 267 CE1 PHE A 17 -2.122 -10.126 0.959 1.00 33.51 C ATOM 268 CE2 PHE A 17 -0.117 -8.913 1.414 1.00 42.14 C ATOM 269 CZ PHE A 17 -0.744 -10.072 1.007 1.00 20.12 C ATOM 0 H PHE A 17 -3.265 -4.544 3.561 1.00 4.21 H new ATOM 0 HA PHE A 17 -4.361 -7.279 3.691 1.00 14.54 H new ATOM 0 HB2 PHE A 17 -3.951 -6.600 1.480 1.00 21.04 H new ATOM 0 HB3 PHE A 17 -2.478 -5.750 1.904 1.00 21.04 H new ATOM 0 HD1 PHE A 17 -3.950 -9.075 1.284 1.00 11.43 H new ATOM 0 HD2 PHE A 17 -0.371 -6.908 2.084 1.00 74.05 H new ATOM 0 HE1 PHE A 17 -2.615 -11.032 0.638 1.00 33.51 H new ATOM 0 HE2 PHE A 17 0.961 -8.867 1.454 1.00 42.14 H new ATOM 0 HZ PHE A 17 -0.158 -10.935 0.727 1.00 20.12 H new ATOM 279 N ILE A 18 -2.509 -8.239 5.062 1.00 32.25 N ATOM 280 CA ILE A 18 -1.490 -8.747 5.954 1.00 74.32 C ATOM 281 C ILE A 18 -0.704 -9.843 5.267 1.00 0.14 C ATOM 282 O ILE A 18 -1.231 -10.917 5.000 1.00 31.12 O ATOM 283 CB ILE A 18 -2.090 -9.293 7.264 1.00 51.05 C ATOM 284 CG1 ILE A 18 -3.134 -8.319 7.828 1.00 71.03 C ATOM 285 CG2 ILE A 18 -0.983 -9.542 8.278 1.00 4.13 C ATOM 286 CD1 ILE A 18 -2.592 -6.932 8.101 1.00 30.04 C ATOM 0 H ILE A 18 -3.305 -8.862 4.922 1.00 32.25 H new ATOM 0 HA ILE A 18 -0.833 -7.915 6.206 1.00 74.32 H new ATOM 0 HB ILE A 18 -2.590 -10.238 7.054 1.00 51.05 H new ATOM 0 HG12 ILE A 18 -3.963 -8.243 7.125 1.00 71.03 H new ATOM 0 HG13 ILE A 18 -3.538 -8.730 8.753 1.00 71.03 H new ATOM 0 HG21 ILE A 18 -1.415 -9.928 9.201 1.00 4.13 H new ATOM 0 HG22 ILE A 18 -0.278 -10.269 7.876 1.00 4.13 H new ATOM 0 HG23 ILE A 18 -0.462 -8.607 8.484 1.00 4.13 H new ATOM 0 HD11 ILE A 18 -3.388 -6.302 8.497 1.00 30.04 H new ATOM 0 HD12 ILE A 18 -1.782 -6.994 8.828 1.00 30.04 H new ATOM 0 HD13 ILE A 18 -2.215 -6.500 7.174 1.00 30.04 H new ATOM 298 N GLY A 19 0.552 -9.560 4.977 1.00 65.32 N ATOM 299 CA GLY A 19 1.384 -10.513 4.286 1.00 72.32 C ATOM 300 C GLY A 19 2.335 -11.211 5.222 1.00 41.01 C ATOM 301 O GLY A 19 2.770 -10.627 6.218 1.00 32.05 O ATOM 0 H GLY A 19 1.012 -8.680 5.210 1.00 65.32 H new ATOM 0 HA2 GLY A 19 0.755 -11.252 3.790 1.00 72.32 H new ATOM 0 HA3 GLY A 19 1.950 -10.003 3.507 1.00 72.32 H new ATOM 305 N GLY A 20 2.657 -12.455 4.910 1.00 72.23 N ATOM 306 CA GLY A 20 3.607 -13.196 5.709 1.00 14.13 C ATOM 307 C GLY A 20 3.060 -13.627 7.050 1.00 22.33 C ATOM 308 O GLY A 20 3.722 -13.457 8.071 1.00 12.35 O ATOM 0 H GLY A 20 2.276 -12.967 4.114 1.00 72.23 H new ATOM 0 HA2 GLY A 20 3.926 -14.079 5.155 1.00 14.13 H new ATOM 0 HA3 GLY A 20 4.494 -12.582 5.867 1.00 14.13 H new ATOM 312 N LEU A 21 1.853 -14.175 7.058 1.00 2.22 N ATOM 313 CA LEU A 21 1.284 -14.754 8.264 1.00 61.04 C ATOM 314 C LEU A 21 1.821 -16.161 8.476 1.00 62.05 C ATOM 315 O LEU A 21 2.534 -16.701 7.627 1.00 44.44 O ATOM 316 CB LEU A 21 -0.243 -14.803 8.157 1.00 25.13 C ATOM 317 CG LEU A 21 -0.953 -13.456 8.256 1.00 30.34 C ATOM 318 CD1 LEU A 21 -2.422 -13.599 7.901 1.00 31.20 C ATOM 319 CD2 LEU A 21 -0.804 -12.886 9.651 1.00 2.32 C ATOM 0 H LEU A 21 1.248 -14.230 6.239 1.00 2.22 H new ATOM 0 HA LEU A 21 1.566 -14.130 9.112 1.00 61.04 H new ATOM 0 HB2 LEU A 21 -0.508 -15.265 7.206 1.00 25.13 H new ATOM 0 HB3 LEU A 21 -0.624 -15.453 8.944 1.00 25.13 H new ATOM 0 HG LEU A 21 -0.492 -12.770 7.545 1.00 30.34 H new ATOM 0 HD11 LEU A 21 -2.911 -12.628 7.978 1.00 31.20 H new ATOM 0 HD12 LEU A 21 -2.515 -13.973 6.881 1.00 31.20 H new ATOM 0 HD13 LEU A 21 -2.896 -14.299 8.589 1.00 31.20 H new ATOM 0 HD21 LEU A 21 -1.315 -11.925 9.708 1.00 2.32 H new ATOM 0 HD22 LEU A 21 -1.243 -13.574 10.374 1.00 2.32 H new ATOM 0 HD23 LEU A 21 0.253 -12.748 9.877 1.00 2.32 H new ATOM 331 N SER A 22 1.471 -16.760 9.602 1.00 2.04 N ATOM 332 CA SER A 22 1.880 -18.119 9.888 1.00 41.35 C ATOM 333 C SER A 22 0.861 -19.088 9.305 1.00 3.41 C ATOM 334 O SER A 22 -0.190 -18.669 8.805 1.00 43.33 O ATOM 335 CB SER A 22 2.016 -18.328 11.404 1.00 64.34 C ATOM 336 OG SER A 22 0.774 -18.150 12.066 1.00 64.25 O ATOM 0 H SER A 22 0.905 -16.325 10.330 1.00 2.04 H new ATOM 0 HA SER A 22 2.852 -18.306 9.431 1.00 41.35 H new ATOM 0 HB2 SER A 22 2.395 -19.331 11.602 1.00 64.34 H new ATOM 0 HB3 SER A 22 2.747 -17.626 11.805 1.00 64.34 H new ATOM 0 HG SER A 22 0.862 -18.418 13.004 1.00 64.25 H new ATOM 342 N PHE A 23 1.157 -20.376 9.374 1.00 43.22 N ATOM 343 CA PHE A 23 0.223 -21.393 8.916 1.00 13.10 C ATOM 344 C PHE A 23 -0.869 -21.600 9.962 1.00 74.03 C ATOM 345 O PHE A 23 -1.899 -22.220 9.693 1.00 41.12 O ATOM 346 CB PHE A 23 0.954 -22.713 8.649 1.00 42.33 C ATOM 347 CG PHE A 23 2.025 -22.608 7.600 1.00 75.54 C ATOM 348 CD1 PHE A 23 1.691 -22.498 6.260 1.00 30.25 C ATOM 349 CD2 PHE A 23 3.365 -22.624 7.954 1.00 25.43 C ATOM 350 CE1 PHE A 23 2.673 -22.403 5.292 1.00 43.44 C ATOM 351 CE2 PHE A 23 4.350 -22.529 6.991 1.00 2.12 C ATOM 352 CZ PHE A 23 4.004 -22.418 5.659 1.00 30.45 C ATOM 0 H PHE A 23 2.035 -20.742 9.742 1.00 43.22 H new ATOM 0 HA PHE A 23 -0.232 -21.057 7.984 1.00 13.10 H new ATOM 0 HB2 PHE A 23 1.401 -23.065 9.579 1.00 42.33 H new ATOM 0 HB3 PHE A 23 0.227 -23.465 8.340 1.00 42.33 H new ATOM 0 HD1 PHE A 23 0.651 -22.486 5.968 1.00 30.25 H new ATOM 0 HD2 PHE A 23 3.642 -22.712 8.994 1.00 25.43 H new ATOM 0 HE1 PHE A 23 2.400 -22.317 4.251 1.00 43.44 H new ATOM 0 HE2 PHE A 23 5.391 -22.542 7.280 1.00 2.12 H new ATOM 0 HZ PHE A 23 4.774 -22.343 4.905 1.00 30.45 H new ATOM 362 N GLU A 24 -0.643 -21.029 11.143 1.00 24.45 N ATOM 363 CA GLU A 24 -1.510 -21.234 12.291 1.00 21.22 C ATOM 364 C GLU A 24 -2.413 -20.030 12.546 1.00 74.10 C ATOM 365 O GLU A 24 -3.223 -20.052 13.472 1.00 44.12 O ATOM 366 CB GLU A 24 -0.658 -21.494 13.522 1.00 54.23 C ATOM 367 CG GLU A 24 0.326 -22.626 13.326 1.00 21.45 C ATOM 368 CD GLU A 24 -0.287 -23.991 13.541 1.00 43.01 C ATOM 369 OE1 GLU A 24 -1.182 -24.382 12.763 1.00 2.34 O ATOM 370 OE2 GLU A 24 0.136 -24.693 14.479 1.00 12.01 O ATOM 0 H GLU A 24 0.148 -20.412 11.327 1.00 24.45 H new ATOM 0 HA GLU A 24 -2.149 -22.091 12.080 1.00 21.22 H new ATOM 0 HB2 GLU A 24 -0.113 -20.586 13.779 1.00 54.23 H new ATOM 0 HB3 GLU A 24 -1.308 -21.726 14.366 1.00 54.23 H new ATOM 0 HG2 GLU A 24 0.735 -22.573 12.317 1.00 21.45 H new ATOM 0 HG3 GLU A 24 1.161 -22.497 14.015 1.00 21.45 H new ATOM 377 N THR A 25 -2.287 -18.986 11.721 1.00 31.33 N ATOM 378 CA THR A 25 -3.017 -17.741 11.947 1.00 71.25 C ATOM 379 C THR A 25 -4.518 -17.925 11.745 1.00 72.13 C ATOM 380 O THR A 25 -4.966 -18.378 10.689 1.00 44.04 O ATOM 381 CB THR A 25 -2.536 -16.613 11.008 1.00 5.45 C ATOM 382 OG1 THR A 25 -1.118 -16.450 11.108 1.00 3.31 O ATOM 383 CG2 THR A 25 -3.216 -15.294 11.353 1.00 42.12 C ATOM 0 H THR A 25 -1.688 -18.981 10.895 1.00 31.33 H new ATOM 0 HA THR A 25 -2.817 -17.461 12.981 1.00 71.25 H new ATOM 0 HB THR A 25 -2.799 -16.894 9.988 1.00 5.45 H new ATOM 0 HG1 THR A 25 -0.740 -17.188 11.631 1.00 3.31 H new ATOM 0 HG21 THR A 25 -2.862 -14.515 10.679 1.00 42.12 H new ATOM 0 HG22 THR A 25 -4.295 -15.402 11.247 1.00 42.12 H new ATOM 0 HG23 THR A 25 -2.978 -15.020 12.381 1.00 42.12 H new ATOM 391 N THR A 26 -5.278 -17.587 12.774 1.00 5.10 N ATOM 392 CA THR A 26 -6.727 -17.565 12.691 1.00 21.24 C ATOM 393 C THR A 26 -7.222 -16.128 12.560 1.00 1.25 C ATOM 394 O THR A 26 -6.505 -15.183 12.906 1.00 3.20 O ATOM 395 CB THR A 26 -7.354 -18.235 13.921 1.00 63.40 C ATOM 396 OG1 THR A 26 -6.539 -17.992 15.069 1.00 31.14 O ATOM 397 CG2 THR A 26 -7.495 -19.728 13.706 1.00 41.33 C ATOM 0 H THR A 26 -4.908 -17.321 13.687 1.00 5.10 H new ATOM 0 HA THR A 26 -7.030 -18.126 11.807 1.00 21.24 H new ATOM 0 HB THR A 26 -8.346 -17.811 14.078 1.00 63.40 H new ATOM 0 HG1 THR A 26 -7.106 -17.719 15.821 1.00 31.14 H new ATOM 0 HG21 THR A 26 -7.942 -20.182 14.590 1.00 41.33 H new ATOM 0 HG22 THR A 26 -8.133 -19.912 12.842 1.00 41.33 H new ATOM 0 HG23 THR A 26 -6.512 -20.165 13.531 1.00 41.33 H new ATOM 405 N ASP A 27 -8.442 -15.966 12.062 1.00 20.21 N ATOM 406 CA ASP A 27 -8.986 -14.644 11.753 1.00 72.00 C ATOM 407 C ASP A 27 -9.248 -13.828 13.015 1.00 14.44 C ATOM 408 O ASP A 27 -9.125 -12.604 12.996 1.00 54.13 O ATOM 409 CB ASP A 27 -10.274 -14.763 10.924 1.00 55.21 C ATOM 410 CG ASP A 27 -11.380 -15.509 11.646 1.00 22.21 C ATOM 411 OD1 ASP A 27 -11.217 -16.717 11.903 1.00 31.44 O ATOM 412 OD2 ASP A 27 -12.412 -14.892 11.963 1.00 14.34 O ATOM 0 H ASP A 27 -9.079 -16.737 11.862 1.00 20.21 H new ATOM 0 HA ASP A 27 -8.234 -14.118 11.165 1.00 72.00 H new ATOM 0 HB2 ASP A 27 -10.626 -13.764 10.666 1.00 55.21 H new ATOM 0 HB3 ASP A 27 -10.050 -15.274 9.988 1.00 55.21 H new ATOM 417 N GLU A 28 -9.579 -14.498 14.113 1.00 12.54 N ATOM 418 CA GLU A 28 -9.849 -13.798 15.365 1.00 52.43 C ATOM 419 C GLU A 28 -8.550 -13.383 16.056 1.00 74.23 C ATOM 420 O GLU A 28 -8.524 -12.409 16.807 1.00 12.21 O ATOM 421 CB GLU A 28 -10.756 -14.625 16.299 1.00 61.41 C ATOM 422 CG GLU A 28 -10.437 -16.115 16.388 1.00 20.24 C ATOM 423 CD GLU A 28 -9.253 -16.422 17.278 1.00 1.34 C ATOM 424 OE1 GLU A 28 -9.390 -16.342 18.515 1.00 12.33 O ATOM 425 OE2 GLU A 28 -8.178 -16.743 16.746 1.00 72.53 O ATOM 0 H GLU A 28 -9.666 -15.513 14.163 1.00 12.54 H new ATOM 0 HA GLU A 28 -10.396 -12.887 15.121 1.00 52.43 H new ATOM 0 HB2 GLU A 28 -10.697 -14.200 17.301 1.00 61.41 H new ATOM 0 HB3 GLU A 28 -11.788 -14.513 15.965 1.00 61.41 H new ATOM 0 HG2 GLU A 28 -11.312 -16.645 16.764 1.00 20.24 H new ATOM 0 HG3 GLU A 28 -10.239 -16.497 15.387 1.00 20.24 H new ATOM 432 N SER A 29 -7.471 -14.103 15.768 1.00 21.24 N ATOM 433 CA SER A 29 -6.155 -13.761 16.285 1.00 14.11 C ATOM 434 C SER A 29 -5.590 -12.557 15.544 1.00 2.42 C ATOM 435 O SER A 29 -5.038 -11.638 16.154 1.00 2.42 O ATOM 436 CB SER A 29 -5.206 -14.954 16.151 1.00 5.53 C ATOM 437 OG SER A 29 -5.591 -16.007 17.014 1.00 34.04 O ATOM 0 H SER A 29 -7.485 -14.933 15.175 1.00 21.24 H new ATOM 0 HA SER A 29 -6.253 -13.507 17.340 1.00 14.11 H new ATOM 0 HB2 SER A 29 -5.203 -15.307 15.120 1.00 5.53 H new ATOM 0 HB3 SER A 29 -4.188 -14.642 16.384 1.00 5.53 H new ATOM 0 HG SER A 29 -6.550 -16.179 16.913 1.00 34.04 H new ATOM 443 N LEU A 30 -5.749 -12.571 14.224 1.00 11.44 N ATOM 444 CA LEU A 30 -5.294 -11.478 13.377 1.00 23.35 C ATOM 445 C LEU A 30 -6.030 -10.194 13.740 1.00 30.20 C ATOM 446 O LEU A 30 -5.417 -9.133 13.889 1.00 62.33 O ATOM 447 CB LEU A 30 -5.523 -11.836 11.904 1.00 24.21 C ATOM 448 CG LEU A 30 -4.980 -10.833 10.886 1.00 51.54 C ATOM 449 CD1 LEU A 30 -3.484 -10.640 11.072 1.00 61.42 C ATOM 450 CD2 LEU A 30 -5.288 -11.298 9.469 1.00 40.32 C ATOM 0 H LEU A 30 -6.194 -13.335 13.716 1.00 11.44 H new ATOM 0 HA LEU A 30 -4.228 -11.318 13.536 1.00 23.35 H new ATOM 0 HB2 LEU A 30 -5.066 -12.806 11.710 1.00 24.21 H new ATOM 0 HB3 LEU A 30 -6.594 -11.949 11.739 1.00 24.21 H new ATOM 0 HG LEU A 30 -5.471 -9.874 11.050 1.00 51.54 H new ATOM 0 HD11 LEU A 30 -3.116 -9.923 10.339 1.00 61.42 H new ATOM 0 HD12 LEU A 30 -3.288 -10.265 12.076 1.00 61.42 H new ATOM 0 HD13 LEU A 30 -2.974 -11.594 10.935 1.00 61.42 H new ATOM 0 HD21 LEU A 30 -4.895 -10.574 8.755 1.00 40.32 H new ATOM 0 HD22 LEU A 30 -4.822 -12.268 9.295 1.00 40.32 H new ATOM 0 HD23 LEU A 30 -6.367 -11.385 9.341 1.00 40.32 H new ATOM 462 N ARG A 31 -7.349 -10.312 13.886 1.00 11.35 N ATOM 463 CA ARG A 31 -8.191 -9.215 14.338 1.00 73.43 C ATOM 464 C ARG A 31 -7.723 -8.657 15.675 1.00 2.15 C ATOM 465 O ARG A 31 -7.382 -7.486 15.761 1.00 64.01 O ATOM 466 CB ARG A 31 -9.638 -9.692 14.463 1.00 2.03 C ATOM 467 CG ARG A 31 -10.606 -8.608 14.897 1.00 43.13 C ATOM 468 CD ARG A 31 -11.981 -9.183 15.173 1.00 62.42 C ATOM 469 NE ARG A 31 -12.503 -9.935 14.035 1.00 4.42 N ATOM 470 CZ ARG A 31 -13.536 -9.557 13.282 1.00 51.24 C ATOM 471 NH1 ARG A 31 -14.174 -8.422 13.534 1.00 21.02 N ATOM 472 NH2 ARG A 31 -13.935 -10.330 12.281 1.00 25.53 N ATOM 0 H ARG A 31 -7.860 -11.173 13.693 1.00 11.35 H new ATOM 0 HA ARG A 31 -8.122 -8.418 13.598 1.00 73.43 H new ATOM 0 HB2 ARG A 31 -9.963 -10.092 13.503 1.00 2.03 H new ATOM 0 HB3 ARG A 31 -9.680 -10.511 15.181 1.00 2.03 H new ATOM 0 HG2 ARG A 31 -10.228 -8.116 15.793 1.00 43.13 H new ATOM 0 HG3 ARG A 31 -10.676 -7.846 14.120 1.00 43.13 H new ATOM 0 HD2 ARG A 31 -11.932 -9.835 16.045 1.00 62.42 H new ATOM 0 HD3 ARG A 31 -12.669 -8.374 15.418 1.00 62.42 H new ATOM 0 HE ARG A 31 -12.043 -10.814 13.799 1.00 4.42 H new ATOM 0 HH11 ARG A 31 -13.875 -7.830 14.309 1.00 21.02 H new ATOM 0 HH12 ARG A 31 -14.963 -8.141 12.953 1.00 21.02 H new ATOM 0 HH21 ARG A 31 -13.452 -11.208 12.091 1.00 25.53 H new ATOM 0 HH22 ARG A 31 -14.725 -10.046 11.701 1.00 25.53 H new ATOM 486 N SER A 32 -7.704 -9.511 16.697 1.00 35.32 N ATOM 487 CA SER A 32 -7.333 -9.116 18.060 1.00 63.55 C ATOM 488 C SER A 32 -6.012 -8.341 18.111 1.00 41.53 C ATOM 489 O SER A 32 -5.856 -7.437 18.933 1.00 43.32 O ATOM 490 CB SER A 32 -7.234 -10.361 18.943 1.00 62.42 C ATOM 491 OG SER A 32 -7.179 -10.016 20.317 1.00 14.24 O ATOM 0 H SER A 32 -7.945 -10.498 16.606 1.00 35.32 H new ATOM 0 HA SER A 32 -8.112 -8.448 18.428 1.00 63.55 H new ATOM 0 HB2 SER A 32 -8.093 -11.007 18.762 1.00 62.42 H new ATOM 0 HB3 SER A 32 -6.345 -10.931 18.673 1.00 62.42 H new ATOM 0 HG SER A 32 -7.118 -10.832 20.857 1.00 14.24 H new ATOM 497 N HIS A 33 -5.082 -8.684 17.225 1.00 13.55 N ATOM 498 CA HIS A 33 -3.798 -8.000 17.165 1.00 41.14 C ATOM 499 C HIS A 33 -3.972 -6.569 16.659 1.00 65.11 C ATOM 500 O HIS A 33 -3.693 -5.616 17.375 1.00 52.32 O ATOM 501 CB HIS A 33 -2.821 -8.768 16.265 1.00 22.31 C ATOM 502 CG HIS A 33 -1.452 -8.152 16.183 1.00 23.44 C ATOM 503 ND1 HIS A 33 -0.463 -8.476 17.079 1.00 22.33 N ATOM 504 CD2 HIS A 33 -0.961 -7.257 15.292 1.00 12.53 C ATOM 505 CE1 HIS A 33 0.600 -7.777 16.713 1.00 74.15 C ATOM 506 NE2 HIS A 33 0.343 -7.024 15.636 1.00 24.54 N ATOM 0 H HIS A 33 -5.195 -9.431 16.540 1.00 13.55 H new ATOM 0 HA HIS A 33 -3.385 -7.961 18.173 1.00 41.14 H new ATOM 0 HB2 HIS A 33 -2.727 -9.789 16.636 1.00 22.31 H new ATOM 0 HB3 HIS A 33 -3.241 -8.831 15.261 1.00 22.31 H new ATOM 0 HD1 HIS A 33 -0.533 -9.122 17.865 1.00 22.33 H new ATOM 0 HD2 HIS A 33 -1.497 -6.812 14.467 1.00 12.53 H new ATOM 0 HE1 HIS A 33 1.554 -7.810 17.219 1.00 74.15 H new ATOM 514 N PHE A 34 -4.466 -6.421 15.441 1.00 31.23 N ATOM 515 CA PHE A 34 -4.563 -5.107 14.813 1.00 3.25 C ATOM 516 C PHE A 34 -5.646 -4.239 15.454 1.00 20.22 C ATOM 517 O PHE A 34 -5.589 -3.011 15.381 1.00 15.11 O ATOM 518 CB PHE A 34 -4.800 -5.262 13.311 1.00 44.40 C ATOM 519 CG PHE A 34 -3.546 -5.613 12.558 1.00 35.51 C ATOM 520 CD1 PHE A 34 -3.153 -6.934 12.407 1.00 11.24 C ATOM 521 CD2 PHE A 34 -2.752 -4.616 12.013 1.00 75.34 C ATOM 522 CE1 PHE A 34 -1.992 -7.253 11.729 1.00 71.14 C ATOM 523 CE2 PHE A 34 -1.592 -4.930 11.331 1.00 54.32 C ATOM 524 CZ PHE A 34 -1.211 -6.251 11.191 1.00 11.30 C ATOM 0 H PHE A 34 -4.807 -7.191 14.865 1.00 31.23 H new ATOM 0 HA PHE A 34 -3.616 -4.591 14.971 1.00 3.25 H new ATOM 0 HB2 PHE A 34 -5.548 -6.037 13.144 1.00 44.40 H new ATOM 0 HB3 PHE A 34 -5.209 -4.333 12.914 1.00 44.40 H new ATOM 0 HD1 PHE A 34 -3.761 -7.723 12.824 1.00 11.24 H new ATOM 0 HD2 PHE A 34 -3.043 -3.582 12.123 1.00 75.34 H new ATOM 0 HE1 PHE A 34 -1.696 -8.286 11.620 1.00 71.14 H new ATOM 0 HE2 PHE A 34 -0.984 -4.144 10.908 1.00 54.32 H new ATOM 0 HZ PHE A 34 -0.303 -6.499 10.661 1.00 11.30 H new ATOM 534 N GLU A 35 -6.612 -4.879 16.104 1.00 35.03 N ATOM 535 CA GLU A 35 -7.689 -4.175 16.794 1.00 63.25 C ATOM 536 C GLU A 35 -7.147 -3.357 17.970 1.00 1.10 C ATOM 537 O GLU A 35 -7.776 -2.401 18.423 1.00 23.11 O ATOM 538 CB GLU A 35 -8.738 -5.172 17.286 1.00 33.34 C ATOM 539 CG GLU A 35 -10.025 -4.521 17.744 1.00 4.03 C ATOM 540 CD GLU A 35 -11.041 -5.523 18.233 1.00 13.31 C ATOM 541 OE1 GLU A 35 -11.733 -6.132 17.399 1.00 74.31 O ATOM 542 OE2 GLU A 35 -11.160 -5.700 19.459 1.00 30.13 O ATOM 0 H GLU A 35 -6.671 -5.895 16.168 1.00 35.03 H new ATOM 0 HA GLU A 35 -8.153 -3.487 16.087 1.00 63.25 H new ATOM 0 HB2 GLU A 35 -8.962 -5.876 16.485 1.00 33.34 H new ATOM 0 HB3 GLU A 35 -8.320 -5.750 18.110 1.00 33.34 H new ATOM 0 HG2 GLU A 35 -9.805 -3.813 18.543 1.00 4.03 H new ATOM 0 HG3 GLU A 35 -10.452 -3.949 16.920 1.00 4.03 H new ATOM 549 N GLN A 36 -5.967 -3.738 18.446 1.00 74.33 N ATOM 550 CA GLN A 36 -5.293 -3.027 19.530 1.00 42.23 C ATOM 551 C GLN A 36 -4.950 -1.588 19.143 1.00 2.32 C ATOM 552 O GLN A 36 -4.784 -0.731 20.010 1.00 24.52 O ATOM 553 CB GLN A 36 -4.019 -3.769 19.922 1.00 51.21 C ATOM 554 CG GLN A 36 -4.278 -5.119 20.566 1.00 73.21 C ATOM 555 CD GLN A 36 -3.018 -5.953 20.720 1.00 72.12 C ATOM 556 OE1 GLN A 36 -2.167 -5.933 19.708 1.00 31.31 O flip ATOM 557 NE2 GLN A 36 -2.834 -6.645 21.722 1.00 72.34 N flip ATOM 0 H GLN A 36 -5.451 -4.545 18.094 1.00 74.33 H new ATOM 0 HA GLN A 36 -5.979 -2.990 20.376 1.00 42.23 H new ATOM 0 HB2 GLN A 36 -3.403 -3.911 19.034 1.00 51.21 H new ATOM 0 HB3 GLN A 36 -3.445 -3.150 20.612 1.00 51.21 H new ATOM 0 HG2 GLN A 36 -4.729 -4.967 21.547 1.00 73.21 H new ATOM 0 HG3 GLN A 36 -5.001 -5.670 19.964 1.00 73.21 H new ATOM 0 HE21 GLN A 36 -3.514 -6.633 22.482 1.00 72.34 H new ATOM 0 HE22 GLN A 36 -2.001 -7.230 21.792 1.00 72.34 H new ATOM 566 N TRP A 37 -4.847 -1.325 17.848 1.00 2.41 N ATOM 567 CA TRP A 37 -4.518 0.012 17.371 1.00 72.42 C ATOM 568 C TRP A 37 -5.753 0.742 16.857 1.00 31.13 C ATOM 569 O TRP A 37 -5.768 1.972 16.785 1.00 72.12 O ATOM 570 CB TRP A 37 -3.439 -0.058 16.293 1.00 25.12 C ATOM 571 CG TRP A 37 -2.092 -0.385 16.856 1.00 1.31 C ATOM 572 CD1 TRP A 37 -1.169 0.501 17.328 1.00 30.13 C ATOM 573 CD2 TRP A 37 -1.518 -1.687 17.019 1.00 3.30 C ATOM 574 NE1 TRP A 37 -0.060 -0.171 17.779 1.00 52.34 N ATOM 575 CE2 TRP A 37 -0.246 -1.514 17.594 1.00 45.43 C ATOM 576 CE3 TRP A 37 -1.953 -2.980 16.734 1.00 31.35 C ATOM 577 CZ2 TRP A 37 0.590 -2.587 17.894 1.00 33.20 C ATOM 578 CZ3 TRP A 37 -1.122 -4.042 17.027 1.00 2.22 C ATOM 579 CH2 TRP A 37 0.137 -3.841 17.600 1.00 23.03 C ATOM 0 H TRP A 37 -4.986 -2.016 17.111 1.00 2.41 H new ATOM 0 HA TRP A 37 -4.130 0.583 18.215 1.00 72.42 H new ATOM 0 HB2 TRP A 37 -3.714 -0.812 15.555 1.00 25.12 H new ATOM 0 HB3 TRP A 37 -3.389 0.897 15.770 1.00 25.12 H new ATOM 0 HD1 TRP A 37 -1.292 1.574 17.345 1.00 30.13 H new ATOM 0 HE1 TRP A 37 0.769 0.261 18.186 1.00 52.34 H new ATOM 0 HE3 TRP A 37 -2.924 -3.148 16.291 1.00 31.35 H new ATOM 0 HZ2 TRP A 37 1.560 -2.433 18.342 1.00 33.20 H new ATOM 0 HZ3 TRP A 37 -1.451 -5.048 16.809 1.00 2.22 H new ATOM 0 HH2 TRP A 37 0.764 -4.694 17.814 1.00 23.03 H new ATOM 590 N GLY A 38 -6.787 -0.009 16.507 1.00 74.24 N ATOM 591 CA GLY A 38 -8.025 0.603 16.085 1.00 20.54 C ATOM 592 C GLY A 38 -9.133 -0.403 15.892 1.00 23.54 C ATOM 593 O GLY A 38 -8.873 -1.596 15.751 1.00 51.23 O ATOM 0 H GLY A 38 -6.789 -1.029 16.508 1.00 74.24 H new ATOM 0 HA2 GLY A 38 -8.333 1.340 16.827 1.00 20.54 H new ATOM 0 HA3 GLY A 38 -7.861 1.141 15.151 1.00 20.54 H new ATOM 597 N THR A 39 -10.367 0.080 15.878 1.00 22.01 N ATOM 598 CA THR A 39 -11.523 -0.784 15.748 1.00 13.31 C ATOM 599 C THR A 39 -11.586 -1.425 14.370 1.00 11.33 C ATOM 600 O THR A 39 -11.701 -0.740 13.354 1.00 11.04 O ATOM 601 CB THR A 39 -12.828 -0.017 16.013 1.00 70.11 C ATOM 602 OG1 THR A 39 -12.808 0.526 17.337 1.00 61.51 O ATOM 603 CG2 THR A 39 -14.032 -0.932 15.846 1.00 4.41 C ATOM 0 H THR A 39 -10.590 1.072 15.956 1.00 22.01 H new ATOM 0 HA THR A 39 -11.415 -1.568 16.497 1.00 13.31 H new ATOM 0 HB THR A 39 -12.909 0.794 15.290 1.00 70.11 H new ATOM 0 HG1 THR A 39 -13.641 1.016 17.502 1.00 61.51 H new ATOM 0 HG21 THR A 39 -14.946 -0.370 16.038 1.00 4.41 H new ATOM 0 HG22 THR A 39 -14.054 -1.323 14.829 1.00 4.41 H new ATOM 0 HG23 THR A 39 -13.960 -1.760 16.551 1.00 4.41 H new ATOM 611 N LEU A 40 -11.472 -2.737 14.350 1.00 43.53 N ATOM 612 CA LEU A 40 -11.656 -3.490 13.130 1.00 73.24 C ATOM 613 C LEU A 40 -13.131 -3.770 12.904 1.00 14.23 C ATOM 614 O LEU A 40 -13.860 -4.117 13.830 1.00 70.50 O ATOM 615 CB LEU A 40 -10.869 -4.801 13.168 1.00 75.30 C ATOM 616 CG LEU A 40 -9.347 -4.650 13.223 1.00 22.13 C ATOM 617 CD1 LEU A 40 -8.685 -6.008 13.195 1.00 31.41 C ATOM 618 CD2 LEU A 40 -8.838 -3.804 12.072 1.00 4.42 C ATOM 0 H LEU A 40 -11.252 -3.304 15.169 1.00 43.53 H new ATOM 0 HA LEU A 40 -11.277 -2.891 12.302 1.00 73.24 H new ATOM 0 HB2 LEU A 40 -11.192 -5.374 14.037 1.00 75.30 H new ATOM 0 HB3 LEU A 40 -11.128 -5.386 12.286 1.00 75.30 H new ATOM 0 HG LEU A 40 -9.094 -4.146 14.156 1.00 22.13 H new ATOM 0 HD11 LEU A 40 -7.603 -5.886 13.235 1.00 31.41 H new ATOM 0 HD12 LEU A 40 -9.016 -6.592 14.054 1.00 31.41 H new ATOM 0 HD13 LEU A 40 -8.958 -6.527 12.276 1.00 31.41 H new ATOM 0 HD21 LEU A 40 -7.754 -3.715 12.138 1.00 4.42 H new ATOM 0 HD22 LEU A 40 -9.106 -4.276 11.127 1.00 4.42 H new ATOM 0 HD23 LEU A 40 -9.288 -2.812 12.123 1.00 4.42 H new ATOM 630 N THR A 41 -13.555 -3.602 11.671 1.00 45.21 N ATOM 631 CA THR A 41 -14.928 -3.875 11.292 1.00 10.14 C ATOM 632 C THR A 41 -14.992 -5.167 10.479 1.00 24.44 C ATOM 633 O THR A 41 -16.055 -5.763 10.313 1.00 43.43 O ATOM 634 CB THR A 41 -15.559 -2.684 10.518 1.00 60.33 C ATOM 635 OG1 THR A 41 -16.816 -3.059 9.938 1.00 43.14 O ATOM 636 CG2 THR A 41 -14.627 -2.160 9.433 1.00 2.51 C ATOM 0 H THR A 41 -12.965 -3.275 10.906 1.00 45.21 H new ATOM 0 HA THR A 41 -15.517 -4.004 12.200 1.00 10.14 H new ATOM 0 HB THR A 41 -15.724 -1.885 11.241 1.00 60.33 H new ATOM 0 HG1 THR A 41 -17.196 -2.294 9.457 1.00 43.14 H new ATOM 0 HG21 THR A 41 -15.104 -1.328 8.914 1.00 2.51 H new ATOM 0 HG22 THR A 41 -13.696 -1.819 9.886 1.00 2.51 H new ATOM 0 HG23 THR A 41 -14.413 -2.957 8.721 1.00 2.51 H new ATOM 644 N ASP A 42 -13.837 -5.598 9.984 1.00 75.32 N ATOM 645 CA ASP A 42 -13.729 -6.862 9.267 1.00 34.14 C ATOM 646 C ASP A 42 -12.329 -7.433 9.433 1.00 42.04 C ATOM 647 O ASP A 42 -11.370 -6.681 9.602 1.00 14.34 O ATOM 648 CB ASP A 42 -14.012 -6.654 7.779 1.00 10.51 C ATOM 649 CG ASP A 42 -14.290 -7.947 7.043 1.00 51.42 C ATOM 650 OD1 ASP A 42 -13.324 -8.644 6.671 1.00 23.43 O ATOM 651 OD2 ASP A 42 -15.474 -8.270 6.832 1.00 0.31 O ATOM 0 H ASP A 42 -12.958 -5.087 10.067 1.00 75.32 H new ATOM 0 HA ASP A 42 -14.461 -7.557 9.679 1.00 34.14 H new ATOM 0 HB2 ASP A 42 -14.867 -5.988 7.667 1.00 10.51 H new ATOM 0 HB3 ASP A 42 -13.158 -6.157 7.319 1.00 10.51 H new ATOM 656 N CYS A 43 -12.219 -8.751 9.418 1.00 42.41 N ATOM 657 CA CYS A 43 -10.925 -9.420 9.415 1.00 13.23 C ATOM 658 C CYS A 43 -11.074 -10.851 8.919 1.00 41.21 C ATOM 659 O CYS A 43 -11.953 -11.582 9.380 1.00 75.15 O ATOM 660 CB CYS A 43 -10.311 -9.431 10.815 1.00 24.11 C ATOM 661 SG CYS A 43 -8.780 -10.380 10.931 1.00 35.01 S ATOM 0 H CYS A 43 -13.018 -9.386 9.408 1.00 42.41 H new ATOM 0 HA CYS A 43 -10.264 -8.868 8.746 1.00 13.23 H new ATOM 0 HB2 CYS A 43 -10.115 -8.404 11.124 1.00 24.11 H new ATOM 0 HB3 CYS A 43 -11.037 -9.842 11.517 1.00 24.11 H new ATOM 0 HG CYS A 43 -8.900 -11.286 11.855 1.00 35.01 H new ATOM 667 N VAL A 44 -10.227 -11.248 7.979 1.00 73.12 N ATOM 668 CA VAL A 44 -10.225 -12.612 7.490 1.00 14.12 C ATOM 669 C VAL A 44 -8.813 -13.026 7.085 1.00 12.43 C ATOM 670 O VAL A 44 -8.104 -12.282 6.406 1.00 22.34 O ATOM 671 CB VAL A 44 -11.210 -12.803 6.301 1.00 13.10 C ATOM 672 CG1 VAL A 44 -10.909 -11.840 5.164 1.00 53.05 C ATOM 673 CG2 VAL A 44 -11.189 -14.239 5.795 1.00 53.01 C ATOM 0 H VAL A 44 -9.533 -10.641 7.542 1.00 73.12 H new ATOM 0 HA VAL A 44 -10.566 -13.254 8.302 1.00 14.12 H new ATOM 0 HB VAL A 44 -12.210 -12.582 6.675 1.00 13.10 H new ATOM 0 HG11 VAL A 44 -11.617 -12.003 4.352 1.00 53.05 H new ATOM 0 HG12 VAL A 44 -10.998 -10.815 5.523 1.00 53.05 H new ATOM 0 HG13 VAL A 44 -9.895 -12.011 4.801 1.00 53.05 H new ATOM 0 HG21 VAL A 44 -11.887 -14.342 4.964 1.00 53.01 H new ATOM 0 HG22 VAL A 44 -10.184 -14.491 5.458 1.00 53.01 H new ATOM 0 HG23 VAL A 44 -11.481 -14.913 6.600 1.00 53.01 H new ATOM 683 N VAL A 45 -8.391 -14.189 7.547 1.00 41.41 N ATOM 684 CA VAL A 45 -7.138 -14.765 7.103 1.00 45.20 C ATOM 685 C VAL A 45 -7.429 -15.691 5.928 1.00 0.11 C ATOM 686 O VAL A 45 -8.353 -16.505 5.987 1.00 35.11 O ATOM 687 CB VAL A 45 -6.405 -15.519 8.251 1.00 15.11 C ATOM 688 CG1 VAL A 45 -7.326 -16.508 8.942 1.00 44.21 C ATOM 689 CG2 VAL A 45 -5.157 -16.230 7.749 1.00 3.24 C ATOM 0 H VAL A 45 -8.899 -14.752 8.229 1.00 41.41 H new ATOM 0 HA VAL A 45 -6.465 -13.967 6.789 1.00 45.20 H new ATOM 0 HB VAL A 45 -6.100 -14.766 8.977 1.00 15.11 H new ATOM 0 HG11 VAL A 45 -6.782 -17.017 9.738 1.00 44.21 H new ATOM 0 HG12 VAL A 45 -8.178 -15.977 9.367 1.00 44.21 H new ATOM 0 HG13 VAL A 45 -7.681 -17.242 8.218 1.00 44.21 H new ATOM 0 HG21 VAL A 45 -4.673 -16.745 8.579 1.00 3.24 H new ATOM 0 HG22 VAL A 45 -5.434 -16.955 6.984 1.00 3.24 H new ATOM 0 HG23 VAL A 45 -4.468 -15.500 7.324 1.00 3.24 H new ATOM 699 N MET A 46 -6.682 -15.537 4.843 1.00 33.24 N ATOM 700 CA MET A 46 -6.924 -16.332 3.655 1.00 4.11 C ATOM 701 C MET A 46 -6.411 -17.736 3.843 1.00 30.22 C ATOM 702 O MET A 46 -5.218 -18.009 3.721 1.00 4.15 O ATOM 703 CB MET A 46 -6.286 -15.729 2.417 1.00 45.40 C ATOM 704 CG MET A 46 -6.886 -14.401 1.985 1.00 4.23 C ATOM 705 SD MET A 46 -8.310 -14.575 0.887 1.00 41.10 S ATOM 706 CE MET A 46 -9.579 -15.162 2.004 1.00 25.45 C ATOM 0 H MET A 46 -5.911 -14.874 4.764 1.00 33.24 H new ATOM 0 HA MET A 46 -8.004 -16.348 3.506 1.00 4.11 H new ATOM 0 HB2 MET A 46 -5.221 -15.589 2.603 1.00 45.40 H new ATOM 0 HB3 MET A 46 -6.375 -16.439 1.595 1.00 45.40 H new ATOM 0 HG2 MET A 46 -7.187 -13.842 2.871 1.00 4.23 H new ATOM 0 HG3 MET A 46 -6.119 -13.812 1.482 1.00 4.23 H new ATOM 0 HE1 MET A 46 -10.560 -14.882 1.620 1.00 25.45 H new ATOM 0 HE2 MET A 46 -9.518 -16.247 2.086 1.00 25.45 H new ATOM 0 HE3 MET A 46 -9.433 -14.715 2.987 1.00 25.45 H new ATOM 716 N ARG A 47 -7.319 -18.603 4.196 1.00 44.24 N ATOM 717 CA ARG A 47 -7.007 -19.996 4.366 1.00 3.31 C ATOM 718 C ARG A 47 -7.471 -20.790 3.166 1.00 70.11 C ATOM 719 O ARG A 47 -8.255 -20.308 2.347 1.00 11.14 O ATOM 720 CB ARG A 47 -7.643 -20.532 5.647 1.00 64.14 C ATOM 721 CG ARG A 47 -7.049 -19.913 6.898 1.00 3.02 C ATOM 722 CD ARG A 47 -7.734 -20.396 8.159 1.00 54.53 C ATOM 723 NE ARG A 47 -6.830 -20.328 9.307 1.00 54.21 N ATOM 724 CZ ARG A 47 -6.756 -21.253 10.263 1.00 74.23 C ATOM 725 NH1 ARG A 47 -7.541 -22.325 10.233 1.00 41.25 N ATOM 726 NH2 ARG A 47 -5.872 -21.111 11.240 1.00 34.34 N ATOM 0 H ARG A 47 -8.295 -18.365 4.374 1.00 44.24 H new ATOM 0 HA ARG A 47 -5.926 -20.103 4.450 1.00 3.31 H new ATOM 0 HB2 ARG A 47 -8.715 -20.338 5.624 1.00 64.14 H new ATOM 0 HB3 ARG A 47 -7.516 -21.614 5.686 1.00 64.14 H new ATOM 0 HG2 ARG A 47 -5.987 -20.152 6.950 1.00 3.02 H new ATOM 0 HG3 ARG A 47 -7.129 -18.828 6.837 1.00 3.02 H new ATOM 0 HD2 ARG A 47 -8.618 -19.789 8.352 1.00 54.53 H new ATOM 0 HD3 ARG A 47 -8.076 -21.422 8.021 1.00 54.53 H new ATOM 0 HE ARG A 47 -6.215 -19.518 9.381 1.00 54.21 H new ATOM 0 HH11 ARG A 47 -8.209 -22.446 9.472 1.00 41.25 H new ATOM 0 HH12 ARG A 47 -7.475 -23.026 10.971 1.00 41.25 H new ATOM 0 HH21 ARG A 47 -5.255 -20.299 11.256 1.00 34.34 H new ATOM 0 HH22 ARG A 47 -5.808 -21.814 11.976 1.00 34.34 H new ATOM 740 N ASP A 48 -6.956 -21.993 3.060 1.00 24.53 N ATOM 741 CA ASP A 48 -7.322 -22.894 1.992 1.00 64.12 C ATOM 742 C ASP A 48 -8.660 -23.543 2.311 1.00 14.04 C ATOM 743 O ASP A 48 -8.831 -24.094 3.385 1.00 31.54 O ATOM 744 CB ASP A 48 -6.245 -23.965 1.838 1.00 33.32 C ATOM 745 CG ASP A 48 -6.462 -24.824 0.621 1.00 44.14 C ATOM 746 OD1 ASP A 48 -6.080 -24.399 -0.484 1.00 42.51 O ATOM 747 OD2 ASP A 48 -7.019 -25.925 0.764 1.00 53.50 O ATOM 0 H ASP A 48 -6.271 -22.375 3.712 1.00 24.53 H new ATOM 0 HA ASP A 48 -7.409 -22.339 1.058 1.00 64.12 H new ATOM 0 HB2 ASP A 48 -5.268 -23.487 1.773 1.00 33.32 H new ATOM 0 HB3 ASP A 48 -6.233 -24.595 2.727 1.00 33.32 H new ATOM 752 N PRO A 49 -9.636 -23.473 1.403 1.00 13.33 N ATOM 753 CA PRO A 49 -10.960 -24.059 1.641 1.00 32.22 C ATOM 754 C PRO A 49 -10.944 -25.592 1.707 1.00 54.22 C ATOM 755 O PRO A 49 -11.877 -26.206 2.225 1.00 32.14 O ATOM 756 CB PRO A 49 -11.785 -23.579 0.445 1.00 54.15 C ATOM 757 CG PRO A 49 -10.793 -23.223 -0.609 1.00 72.44 C ATOM 758 CD PRO A 49 -9.548 -22.784 0.106 1.00 51.12 C ATOM 0 HA PRO A 49 -11.361 -23.752 2.607 1.00 32.22 H new ATOM 0 HB2 PRO A 49 -12.463 -24.359 0.098 1.00 54.15 H new ATOM 0 HB3 PRO A 49 -12.399 -22.719 0.712 1.00 54.15 H new ATOM 0 HG2 PRO A 49 -10.589 -24.078 -1.254 1.00 72.44 H new ATOM 0 HG3 PRO A 49 -11.175 -22.426 -1.247 1.00 72.44 H new ATOM 0 HD2 PRO A 49 -8.649 -23.070 -0.440 1.00 51.12 H new ATOM 0 HD3 PRO A 49 -9.516 -21.701 0.228 1.00 51.12 H new ATOM 766 N ASN A 50 -9.893 -26.210 1.177 1.00 10.41 N ATOM 767 CA ASN A 50 -9.805 -27.666 1.159 1.00 10.50 C ATOM 768 C ASN A 50 -9.211 -28.205 2.454 1.00 2.34 C ATOM 769 O ASN A 50 -9.833 -29.008 3.148 1.00 41.02 O ATOM 770 CB ASN A 50 -8.978 -28.155 -0.029 1.00 20.33 C ATOM 771 CG ASN A 50 -9.625 -27.815 -1.349 1.00 62.11 C ATOM 772 OD1 ASN A 50 -10.395 -28.599 -1.904 1.00 40.44 O ATOM 773 ND2 ASN A 50 -9.323 -26.636 -1.856 1.00 3.34 N ATOM 0 H ASN A 50 -9.097 -25.730 0.758 1.00 10.41 H new ATOM 0 HA ASN A 50 -10.822 -28.045 1.060 1.00 10.50 H new ATOM 0 HB2 ASN A 50 -7.985 -27.708 0.013 1.00 20.33 H new ATOM 0 HB3 ASN A 50 -8.845 -29.235 0.042 1.00 20.33 H new ATOM 0 HD21 ASN A 50 -9.733 -26.342 -2.743 1.00 3.34 H new ATOM 0 HD22 ASN A 50 -8.680 -26.018 -1.362 1.00 3.34 H new ATOM 780 N THR A 51 -8.010 -27.737 2.788 1.00 5.51 N ATOM 781 CA THR A 51 -7.269 -28.256 3.939 1.00 32.44 C ATOM 782 C THR A 51 -7.429 -27.362 5.170 1.00 3.35 C ATOM 783 O THR A 51 -7.025 -27.733 6.274 1.00 55.33 O ATOM 784 CB THR A 51 -5.772 -28.393 3.596 1.00 70.43 C ATOM 785 OG1 THR A 51 -5.615 -28.568 2.179 1.00 72.11 O ATOM 786 CG2 THR A 51 -5.147 -29.579 4.319 1.00 42.15 C ATOM 0 H THR A 51 -7.527 -26.998 2.277 1.00 5.51 H new ATOM 0 HA THR A 51 -7.684 -29.236 4.174 1.00 32.44 H new ATOM 0 HB THR A 51 -5.266 -27.483 3.920 1.00 70.43 H new ATOM 0 HG1 THR A 51 -4.663 -28.653 1.963 1.00 72.11 H new ATOM 0 HG21 THR A 51 -4.091 -29.650 4.057 1.00 42.15 H new ATOM 0 HG22 THR A 51 -5.245 -29.442 5.396 1.00 42.15 H new ATOM 0 HG23 THR A 51 -5.657 -30.496 4.022 1.00 42.15 H new ATOM 794 N LYS A 52 -8.015 -26.184 4.955 1.00 11.53 N ATOM 795 CA LYS A 52 -8.322 -25.212 6.016 1.00 52.01 C ATOM 796 C LYS A 52 -7.049 -24.649 6.644 1.00 72.11 C ATOM 797 O LYS A 52 -7.035 -24.257 7.809 1.00 41.31 O ATOM 798 CB LYS A 52 -9.230 -25.826 7.095 1.00 42.21 C ATOM 799 CG LYS A 52 -10.498 -26.481 6.552 1.00 33.03 C ATOM 800 CD LYS A 52 -11.215 -25.602 5.536 1.00 61.22 C ATOM 801 CE LYS A 52 -12.650 -26.058 5.311 1.00 0.50 C ATOM 802 NZ LYS A 52 -12.720 -27.404 4.682 1.00 62.34 N ATOM 0 H LYS A 52 -8.296 -25.869 4.026 1.00 11.53 H new ATOM 0 HA LYS A 52 -8.861 -24.388 5.549 1.00 52.01 H new ATOM 0 HB2 LYS A 52 -8.661 -26.570 7.652 1.00 42.21 H new ATOM 0 HB3 LYS A 52 -9.512 -25.046 7.802 1.00 42.21 H new ATOM 0 HG2 LYS A 52 -10.242 -27.433 6.088 1.00 33.03 H new ATOM 0 HG3 LYS A 52 -11.173 -26.701 7.379 1.00 33.03 H new ATOM 0 HD2 LYS A 52 -11.212 -24.568 5.882 1.00 61.22 H new ATOM 0 HD3 LYS A 52 -10.674 -25.623 4.590 1.00 61.22 H new ATOM 0 HE2 LYS A 52 -13.177 -26.077 6.265 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -13.164 -25.335 4.677 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -13.707 -27.731 4.671 1.00 62.34 H new ATOM 0 HZ2 LYS A 52 -12.362 -27.351 3.707 1.00 62.34 H new ATOM 0 HZ3 LYS A 52 -12.139 -28.073 5.227 1.00 62.34 H new ATOM 816 N ARG A 53 -5.986 -24.576 5.855 1.00 21.52 N ATOM 817 CA ARG A 53 -4.698 -24.117 6.357 1.00 42.12 C ATOM 818 C ARG A 53 -4.417 -22.717 5.846 1.00 31.42 C ATOM 819 O ARG A 53 -4.870 -22.356 4.764 1.00 3.44 O ATOM 820 CB ARG A 53 -3.587 -25.077 5.928 1.00 73.12 C ATOM 821 CG ARG A 53 -3.795 -26.505 6.412 1.00 23.01 C ATOM 822 CD ARG A 53 -3.856 -26.581 7.929 1.00 13.33 C ATOM 823 NE ARG A 53 -2.598 -26.153 8.540 1.00 0.32 N ATOM 824 CZ ARG A 53 -2.494 -25.537 9.718 1.00 2.14 C ATOM 825 NH1 ARG A 53 -3.576 -25.263 10.440 1.00 42.33 N ATOM 826 NH2 ARG A 53 -1.299 -25.198 10.178 1.00 2.42 N ATOM 0 H ARG A 53 -5.990 -24.828 4.867 1.00 21.52 H new ATOM 0 HA ARG A 53 -4.729 -24.095 7.446 1.00 42.12 H new ATOM 0 HB2 ARG A 53 -3.519 -25.077 4.840 1.00 73.12 H new ATOM 0 HB3 ARG A 53 -2.634 -24.709 6.307 1.00 73.12 H new ATOM 0 HG2 ARG A 53 -4.719 -26.901 5.990 1.00 23.01 H new ATOM 0 HG3 ARG A 53 -2.983 -27.134 6.048 1.00 23.01 H new ATOM 0 HD2 ARG A 53 -4.670 -25.954 8.293 1.00 13.33 H new ATOM 0 HD3 ARG A 53 -4.080 -27.603 8.234 1.00 13.33 H new ATOM 0 HE ARG A 53 -1.736 -26.340 8.027 1.00 0.32 H new ATOM 0 HH11 ARG A 53 -4.499 -25.524 10.094 1.00 42.33 H new ATOM 0 HH12 ARG A 53 -3.483 -24.791 11.340 1.00 42.33 H new ATOM 0 HH21 ARG A 53 -0.464 -25.408 9.632 1.00 2.42 H new ATOM 0 HH22 ARG A 53 -1.214 -24.727 11.079 1.00 2.42 H new ATOM 840 N SER A 54 -3.668 -21.934 6.608 1.00 70.43 N ATOM 841 CA SER A 54 -3.442 -20.542 6.258 1.00 24.23 C ATOM 842 C SER A 54 -2.477 -20.431 5.088 1.00 54.12 C ATOM 843 O SER A 54 -1.440 -21.091 5.055 1.00 10.05 O ATOM 844 CB SER A 54 -2.918 -19.772 7.474 1.00 54.02 C ATOM 845 OG SER A 54 -2.535 -18.450 7.137 1.00 10.05 O ATOM 0 H SER A 54 -3.209 -22.237 7.467 1.00 70.43 H new ATOM 0 HA SER A 54 -4.390 -20.100 5.952 1.00 24.23 H new ATOM 0 HB2 SER A 54 -3.689 -19.742 8.244 1.00 54.02 H new ATOM 0 HB3 SER A 54 -2.064 -20.300 7.898 1.00 54.02 H new ATOM 0 HG SER A 54 -1.708 -18.219 7.609 1.00 10.05 H new ATOM 851 N ARG A 55 -2.842 -19.589 4.126 1.00 71.05 N ATOM 852 CA ARG A 55 -2.034 -19.363 2.936 1.00 11.42 C ATOM 853 C ARG A 55 -0.947 -18.332 3.202 1.00 2.02 C ATOM 854 O ARG A 55 -0.188 -17.966 2.303 1.00 65.54 O ATOM 855 CB ARG A 55 -2.918 -18.895 1.782 1.00 51.55 C ATOM 856 CG ARG A 55 -3.864 -19.964 1.272 1.00 21.25 C ATOM 857 CD ARG A 55 -4.970 -19.369 0.419 1.00 70.12 C ATOM 858 NE ARG A 55 -5.621 -20.394 -0.401 1.00 3.22 N ATOM 859 CZ ARG A 55 -6.688 -20.187 -1.175 1.00 23.25 C ATOM 860 NH1 ARG A 55 -7.245 -18.987 -1.247 1.00 0.01 N ATOM 861 NH2 ARG A 55 -7.188 -21.189 -1.891 1.00 55.34 N ATOM 0 H ARG A 55 -3.705 -19.046 4.151 1.00 71.05 H new ATOM 0 HA ARG A 55 -1.557 -20.306 2.667 1.00 11.42 H new ATOM 0 HB2 ARG A 55 -3.499 -18.032 2.107 1.00 51.55 H new ATOM 0 HB3 ARG A 55 -2.283 -18.561 0.961 1.00 51.55 H new ATOM 0 HG2 ARG A 55 -3.306 -20.696 0.687 1.00 21.25 H new ATOM 0 HG3 ARG A 55 -4.301 -20.497 2.116 1.00 21.25 H new ATOM 0 HD2 ARG A 55 -5.709 -18.890 1.061 1.00 70.12 H new ATOM 0 HD3 ARG A 55 -4.557 -18.593 -0.226 1.00 70.12 H new ATOM 0 HE ARG A 55 -5.230 -21.336 -0.379 1.00 3.22 H new ATOM 0 HH11 ARG A 55 -6.858 -18.212 -0.708 1.00 0.01 H new ATOM 0 HH12 ARG A 55 -8.060 -18.838 -1.841 1.00 0.01 H new ATOM 0 HH21 ARG A 55 -6.756 -22.112 -1.848 1.00 55.34 H new ATOM 0 HH22 ARG A 55 -8.004 -21.035 -2.484 1.00 55.34 H new ATOM 875 N GLY A 56 -0.879 -17.866 4.441 1.00 65.23 N ATOM 876 CA GLY A 56 0.169 -16.950 4.833 1.00 63.45 C ATOM 877 C GLY A 56 -0.157 -15.495 4.572 1.00 11.40 C ATOM 878 O GLY A 56 0.744 -14.661 4.558 1.00 73.34 O ATOM 0 H GLY A 56 -1.535 -18.108 5.184 1.00 65.23 H new ATOM 0 HA2 GLY A 56 0.374 -17.081 5.896 1.00 63.45 H new ATOM 0 HA3 GLY A 56 1.083 -17.209 4.298 1.00 63.45 H new ATOM 882 N PHE A 57 -1.425 -15.171 4.357 1.00 21.30 N ATOM 883 CA PHE A 57 -1.823 -13.782 4.188 1.00 40.12 C ATOM 884 C PHE A 57 -3.304 -13.593 4.502 1.00 21.25 C ATOM 885 O PHE A 57 -4.075 -14.552 4.480 1.00 11.53 O ATOM 886 CB PHE A 57 -1.496 -13.284 2.770 1.00 52.51 C ATOM 887 CG PHE A 57 -2.224 -13.978 1.641 1.00 13.20 C ATOM 888 CD1 PHE A 57 -1.777 -15.195 1.142 1.00 12.23 C ATOM 889 CD2 PHE A 57 -3.328 -13.388 1.048 1.00 44.31 C ATOM 890 CE1 PHE A 57 -2.420 -15.806 0.086 1.00 75.14 C ATOM 891 CE2 PHE A 57 -3.969 -13.992 -0.016 1.00 13.13 C ATOM 892 CZ PHE A 57 -3.513 -15.203 -0.496 1.00 72.10 C ATOM 0 H PHE A 57 -2.188 -15.845 4.296 1.00 21.30 H new ATOM 0 HA PHE A 57 -1.251 -13.183 4.897 1.00 40.12 H new ATOM 0 HB2 PHE A 57 -1.720 -12.218 2.720 1.00 52.51 H new ATOM 0 HB3 PHE A 57 -0.424 -13.393 2.606 1.00 52.51 H new ATOM 0 HD1 PHE A 57 -0.915 -15.669 1.587 1.00 12.23 H new ATOM 0 HD2 PHE A 57 -3.693 -12.443 1.423 1.00 44.31 H new ATOM 0 HE1 PHE A 57 -2.067 -16.757 -0.284 1.00 75.14 H new ATOM 0 HE2 PHE A 57 -4.826 -13.517 -0.472 1.00 13.13 H new ATOM 0 HZ PHE A 57 -4.013 -15.677 -1.327 1.00 72.10 H new ATOM 902 N GLY A 58 -3.686 -12.360 4.817 1.00 2.44 N ATOM 903 CA GLY A 58 -5.067 -12.051 5.139 1.00 4.23 C ATOM 904 C GLY A 58 -5.349 -10.572 5.003 1.00 32.22 C ATOM 905 O GLY A 58 -4.564 -9.852 4.391 1.00 52.22 O ATOM 0 H GLY A 58 -3.055 -11.560 4.855 1.00 2.44 H new ATOM 0 HA2 GLY A 58 -5.730 -12.611 4.479 1.00 4.23 H new ATOM 0 HA3 GLY A 58 -5.285 -12.372 6.158 1.00 4.23 H new ATOM 909 N PHE A 59 -6.473 -10.114 5.549 1.00 51.14 N ATOM 910 CA PHE A 59 -6.827 -8.696 5.506 1.00 3.32 C ATOM 911 C PHE A 59 -7.510 -8.283 6.801 1.00 1.20 C ATOM 912 O PHE A 59 -8.249 -9.067 7.406 1.00 33.00 O ATOM 913 CB PHE A 59 -7.786 -8.364 4.345 1.00 2.24 C ATOM 914 CG PHE A 59 -7.617 -9.203 3.114 1.00 73.41 C ATOM 915 CD1 PHE A 59 -8.291 -10.403 3.002 1.00 34.51 C ATOM 916 CD2 PHE A 59 -6.800 -8.796 2.074 1.00 51.40 C ATOM 917 CE1 PHE A 59 -8.151 -11.192 1.887 1.00 4.25 C ATOM 918 CE2 PHE A 59 -6.654 -9.582 0.945 1.00 71.02 C ATOM 919 CZ PHE A 59 -7.333 -10.783 0.851 1.00 62.15 C ATOM 0 H PHE A 59 -7.155 -10.704 6.027 1.00 51.14 H new ATOM 0 HA PHE A 59 -5.894 -8.152 5.362 1.00 3.32 H new ATOM 0 HB2 PHE A 59 -8.811 -8.472 4.700 1.00 2.24 H new ATOM 0 HB3 PHE A 59 -7.651 -7.317 4.072 1.00 2.24 H new ATOM 0 HD1 PHE A 59 -8.938 -10.726 3.804 1.00 34.51 H new ATOM 0 HD2 PHE A 59 -6.272 -7.857 2.144 1.00 51.40 H new ATOM 0 HE1 PHE A 59 -8.680 -12.131 1.820 1.00 4.25 H new ATOM 0 HE2 PHE A 59 -6.012 -9.259 0.139 1.00 71.02 H new ATOM 0 HZ PHE A 59 -7.224 -11.399 -0.029 1.00 62.15 H new ATOM 929 N VAL A 60 -7.272 -7.047 7.206 1.00 5.33 N ATOM 930 CA VAL A 60 -7.969 -6.449 8.334 1.00 20.30 C ATOM 931 C VAL A 60 -8.561 -5.109 7.909 1.00 42.11 C ATOM 932 O VAL A 60 -7.866 -4.259 7.359 1.00 45.41 O ATOM 933 CB VAL A 60 -7.048 -6.247 9.567 1.00 44.21 C ATOM 934 CG1 VAL A 60 -6.725 -7.577 10.227 1.00 2.54 C ATOM 935 CG2 VAL A 60 -5.764 -5.533 9.182 1.00 60.52 C ATOM 0 H VAL A 60 -6.591 -6.430 6.763 1.00 5.33 H new ATOM 0 HA VAL A 60 -8.758 -7.138 8.634 1.00 20.30 H new ATOM 0 HB VAL A 60 -7.588 -5.625 10.280 1.00 44.21 H new ATOM 0 HG11 VAL A 60 -6.078 -7.408 11.088 1.00 2.54 H new ATOM 0 HG12 VAL A 60 -7.649 -8.054 10.555 1.00 2.54 H new ATOM 0 HG13 VAL A 60 -6.216 -8.224 9.512 1.00 2.54 H new ATOM 0 HG21 VAL A 60 -5.139 -5.406 10.066 1.00 60.52 H new ATOM 0 HG22 VAL A 60 -5.227 -6.124 8.440 1.00 60.52 H new ATOM 0 HG23 VAL A 60 -6.003 -4.556 8.763 1.00 60.52 H new ATOM 945 N THR A 61 -9.848 -4.929 8.125 1.00 43.44 N ATOM 946 CA THR A 61 -10.497 -3.686 7.756 1.00 75.21 C ATOM 947 C THR A 61 -10.743 -2.833 8.984 1.00 63.51 C ATOM 948 O THR A 61 -11.431 -3.256 9.913 1.00 63.33 O ATOM 949 CB THR A 61 -11.830 -3.931 7.032 1.00 52.52 C ATOM 950 OG1 THR A 61 -11.668 -4.966 6.062 1.00 1.43 O ATOM 951 CG2 THR A 61 -12.315 -2.665 6.341 1.00 40.04 C ATOM 0 H THR A 61 -10.463 -5.622 8.551 1.00 43.44 H new ATOM 0 HA THR A 61 -9.827 -3.164 7.073 1.00 75.21 H new ATOM 0 HB THR A 61 -12.571 -4.229 7.773 1.00 52.52 H new ATOM 0 HG1 THR A 61 -12.467 -5.013 5.497 1.00 1.43 H new ATOM 0 HG21 THR A 61 -13.260 -2.865 5.836 1.00 40.04 H new ATOM 0 HG22 THR A 61 -12.459 -1.878 7.082 1.00 40.04 H new ATOM 0 HG23 THR A 61 -11.574 -2.343 5.609 1.00 40.04 H new ATOM 959 N TYR A 62 -10.177 -1.638 8.983 1.00 73.24 N ATOM 960 CA TYR A 62 -10.361 -0.711 10.080 1.00 21.02 C ATOM 961 C TYR A 62 -11.627 0.097 9.874 1.00 75.11 C ATOM 962 O TYR A 62 -12.156 0.172 8.764 1.00 53.41 O ATOM 963 CB TYR A 62 -9.165 0.228 10.200 1.00 23.15 C ATOM 964 CG TYR A 62 -7.992 -0.362 10.947 1.00 4.24 C ATOM 965 CD1 TYR A 62 -7.948 -0.323 12.331 1.00 63.40 C ATOM 966 CD2 TYR A 62 -6.923 -0.938 10.271 1.00 35.20 C ATOM 967 CE1 TYR A 62 -6.869 -0.836 13.023 1.00 64.52 C ATOM 968 CE2 TYR A 62 -5.844 -1.457 10.958 1.00 23.00 C ATOM 969 CZ TYR A 62 -5.822 -1.400 12.334 1.00 22.04 C ATOM 970 OH TYR A 62 -4.748 -1.907 13.021 1.00 5.22 O ATOM 0 H TYR A 62 -9.584 -1.289 8.230 1.00 73.24 H new ATOM 0 HA TYR A 62 -10.447 -1.286 11.002 1.00 21.02 H new ATOM 0 HB2 TYR A 62 -8.839 0.514 9.200 1.00 23.15 H new ATOM 0 HB3 TYR A 62 -9.482 1.141 10.705 1.00 23.15 H new ATOM 0 HD1 TYR A 62 -8.770 0.115 12.877 1.00 63.40 H new ATOM 0 HD2 TYR A 62 -6.937 -0.980 9.192 1.00 35.20 H new ATOM 0 HE1 TYR A 62 -6.848 -0.794 14.102 1.00 64.52 H new ATOM 0 HE2 TYR A 62 -5.022 -1.905 10.420 1.00 23.00 H new ATOM 0 HH TYR A 62 -5.046 -2.242 13.892 1.00 5.22 H new ATOM 980 N ALA A 63 -12.108 0.688 10.952 1.00 62.24 N ATOM 981 CA ALA A 63 -13.311 1.495 10.916 1.00 41.25 C ATOM 982 C ALA A 63 -13.045 2.829 10.226 1.00 64.53 C ATOM 983 O ALA A 63 -13.896 3.356 9.511 1.00 1.23 O ATOM 984 CB ALA A 63 -13.815 1.714 12.329 1.00 52.43 C ATOM 0 H ALA A 63 -11.677 0.622 11.874 1.00 62.24 H new ATOM 0 HA ALA A 63 -14.075 0.970 10.343 1.00 41.25 H new ATOM 0 HB1 ALA A 63 -14.720 2.321 12.303 1.00 52.43 H new ATOM 0 HB2 ALA A 63 -14.037 0.751 12.789 1.00 52.43 H new ATOM 0 HB3 ALA A 63 -13.051 2.227 12.912 1.00 52.43 H new ATOM 990 N THR A 64 -11.856 3.369 10.452 1.00 13.33 N ATOM 991 CA THR A 64 -11.464 4.649 9.880 1.00 44.15 C ATOM 992 C THR A 64 -9.980 4.630 9.462 1.00 61.31 C ATOM 993 O THR A 64 -9.165 3.880 10.019 1.00 31.42 O ATOM 994 CB THR A 64 -11.764 5.793 10.887 1.00 61.54 C ATOM 995 OG1 THR A 64 -13.160 5.778 11.214 1.00 31.31 O ATOM 996 CG2 THR A 64 -11.402 7.168 10.343 1.00 43.20 C ATOM 0 H THR A 64 -11.139 2.935 11.034 1.00 13.33 H new ATOM 0 HA THR A 64 -12.049 4.831 8.979 1.00 44.15 H new ATOM 0 HB THR A 64 -11.148 5.616 11.769 1.00 61.54 H new ATOM 0 HG1 THR A 64 -13.355 6.497 11.851 1.00 31.31 H new ATOM 0 HG21 THR A 64 -11.634 7.927 11.090 1.00 43.20 H new ATOM 0 HG22 THR A 64 -10.337 7.199 10.112 1.00 43.20 H new ATOM 0 HG23 THR A 64 -11.976 7.363 9.437 1.00 43.20 H new ATOM 1004 N VAL A 65 -9.655 5.439 8.453 1.00 72.12 N ATOM 1005 CA VAL A 65 -8.311 5.504 7.886 1.00 63.41 C ATOM 1006 C VAL A 65 -7.254 5.874 8.940 1.00 4.13 C ATOM 1007 O VAL A 65 -6.126 5.386 8.883 1.00 45.13 O ATOM 1008 CB VAL A 65 -8.277 6.510 6.705 1.00 34.31 C ATOM 1009 CG1 VAL A 65 -8.700 7.901 7.155 1.00 24.35 C ATOM 1010 CG2 VAL A 65 -6.908 6.547 6.041 1.00 60.32 C ATOM 0 H VAL A 65 -10.320 6.069 8.006 1.00 72.12 H new ATOM 0 HA VAL A 65 -8.062 4.509 7.518 1.00 63.41 H new ATOM 0 HB VAL A 65 -8.995 6.163 5.962 1.00 34.31 H new ATOM 0 HG11 VAL A 65 -8.666 8.584 6.306 1.00 24.35 H new ATOM 0 HG12 VAL A 65 -9.715 7.863 7.550 1.00 24.35 H new ATOM 0 HG13 VAL A 65 -8.022 8.254 7.932 1.00 24.35 H new ATOM 0 HG21 VAL A 65 -6.922 7.262 5.219 1.00 60.32 H new ATOM 0 HG22 VAL A 65 -6.157 6.848 6.772 1.00 60.32 H new ATOM 0 HG23 VAL A 65 -6.663 5.557 5.657 1.00 60.32 H new ATOM 1020 N GLU A 66 -7.614 6.756 9.872 1.00 1.24 N ATOM 1021 CA GLU A 66 -6.745 7.127 10.989 1.00 61.54 C ATOM 1022 C GLU A 66 -6.160 5.914 11.722 1.00 53.14 C ATOM 1023 O GLU A 66 -4.953 5.862 11.974 1.00 73.33 O ATOM 1024 CB GLU A 66 -7.517 8.005 11.967 1.00 55.51 C ATOM 1025 CG GLU A 66 -8.238 9.156 11.290 1.00 33.51 C ATOM 1026 CD GLU A 66 -7.306 10.083 10.543 1.00 35.02 C ATOM 1027 OE1 GLU A 66 -6.482 10.759 11.182 1.00 12.43 O ATOM 1028 OE2 GLU A 66 -7.400 10.145 9.303 1.00 71.03 O ATOM 0 H GLU A 66 -8.515 7.233 9.874 1.00 1.24 H new ATOM 0 HA GLU A 66 -5.902 7.677 10.571 1.00 61.54 H new ATOM 0 HB2 GLU A 66 -8.243 7.392 12.501 1.00 55.51 H new ATOM 0 HB3 GLU A 66 -6.827 8.403 12.711 1.00 55.51 H new ATOM 0 HG2 GLU A 66 -8.976 8.756 10.595 1.00 33.51 H new ATOM 0 HG3 GLU A 66 -8.784 9.727 12.041 1.00 33.51 H new ATOM 1035 N GLU A 67 -7.009 4.943 12.050 1.00 25.52 N ATOM 1036 CA GLU A 67 -6.566 3.722 12.725 1.00 61.44 C ATOM 1037 C GLU A 67 -5.630 2.909 11.839 1.00 74.24 C ATOM 1038 O GLU A 67 -4.731 2.226 12.333 1.00 13.13 O ATOM 1039 CB GLU A 67 -7.753 2.852 13.108 1.00 0.41 C ATOM 1040 CG GLU A 67 -8.722 3.503 14.073 1.00 4.44 C ATOM 1041 CD GLU A 67 -9.865 4.174 13.357 1.00 0.34 C ATOM 1042 OE1 GLU A 67 -9.698 5.329 12.924 1.00 53.33 O ATOM 1043 OE2 GLU A 67 -10.935 3.545 13.226 1.00 14.31 O ATOM 0 H GLU A 67 -8.010 4.977 11.859 1.00 25.52 H new ATOM 0 HA GLU A 67 -6.033 4.031 13.624 1.00 61.44 H new ATOM 0 HB2 GLU A 67 -8.292 2.576 12.202 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -7.382 1.928 13.553 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -9.114 2.750 14.756 1.00 4.44 H new ATOM 0 HG3 GLU A 67 -8.192 4.238 14.679 1.00 4.44 H new ATOM 1050 N VAL A 68 -5.848 2.993 10.534 1.00 63.33 N ATOM 1051 CA VAL A 68 -4.984 2.328 9.565 1.00 71.05 C ATOM 1052 C VAL A 68 -3.568 2.894 9.631 1.00 54.54 C ATOM 1053 O VAL A 68 -2.586 2.153 9.685 1.00 74.45 O ATOM 1054 CB VAL A 68 -5.520 2.501 8.131 1.00 44.10 C ATOM 1055 CG1 VAL A 68 -4.496 2.052 7.112 1.00 24.40 C ATOM 1056 CG2 VAL A 68 -6.807 1.738 7.948 1.00 0.03 C ATOM 0 H VAL A 68 -6.619 3.517 10.119 1.00 63.33 H new ATOM 0 HA VAL A 68 -4.970 1.268 9.817 1.00 71.05 H new ATOM 0 HB VAL A 68 -5.718 3.561 7.974 1.00 44.10 H new ATOM 0 HG11 VAL A 68 -4.899 2.185 6.108 1.00 24.40 H new ATOM 0 HG12 VAL A 68 -3.590 2.648 7.220 1.00 24.40 H new ATOM 0 HG13 VAL A 68 -4.260 1.000 7.272 1.00 24.40 H new ATOM 0 HG21 VAL A 68 -7.169 1.874 6.929 1.00 0.03 H new ATOM 0 HG22 VAL A 68 -6.631 0.678 8.133 1.00 0.03 H new ATOM 0 HG23 VAL A 68 -7.553 2.110 8.650 1.00 0.03 H new ATOM 1066 N ASP A 69 -3.484 4.216 9.628 1.00 0.03 N ATOM 1067 CA ASP A 69 -2.205 4.914 9.678 1.00 2.12 C ATOM 1068 C ASP A 69 -1.459 4.601 10.974 1.00 40.42 C ATOM 1069 O ASP A 69 -0.249 4.391 10.961 1.00 41.14 O ATOM 1070 CB ASP A 69 -2.419 6.421 9.549 1.00 74.34 C ATOM 1071 CG ASP A 69 -1.189 7.131 9.029 1.00 42.13 C ATOM 1072 OD1 ASP A 69 -0.930 7.061 7.814 1.00 61.44 O ATOM 1073 OD2 ASP A 69 -0.483 7.769 9.829 1.00 43.43 O ATOM 0 H ASP A 69 -4.295 4.834 9.591 1.00 0.03 H new ATOM 0 HA ASP A 69 -1.598 4.567 8.842 1.00 2.12 H new ATOM 0 HB2 ASP A 69 -3.257 6.611 8.878 1.00 74.34 H new ATOM 0 HB3 ASP A 69 -2.690 6.832 10.521 1.00 74.34 H new ATOM 1078 N ALA A 70 -2.186 4.603 12.093 1.00 11.13 N ATOM 1079 CA ALA A 70 -1.639 4.159 13.379 1.00 21.04 C ATOM 1080 C ALA A 70 -1.071 2.737 13.322 1.00 4.24 C ATOM 1081 O ALA A 70 -0.056 2.444 13.953 1.00 70.24 O ATOM 1082 CB ALA A 70 -2.700 4.257 14.466 1.00 74.32 C ATOM 0 H ALA A 70 -3.158 4.908 12.136 1.00 11.13 H new ATOM 0 HA ALA A 70 -0.809 4.825 13.616 1.00 21.04 H new ATOM 0 HB1 ALA A 70 -2.280 3.924 15.415 1.00 74.32 H new ATOM 0 HB2 ALA A 70 -3.032 5.291 14.559 1.00 74.32 H new ATOM 0 HB3 ALA A 70 -3.549 3.626 14.204 1.00 74.32 H new ATOM 1088 N ALA A 71 -1.702 1.861 12.545 1.00 44.33 N ATOM 1089 CA ALA A 71 -1.212 0.496 12.396 1.00 65.44 C ATOM 1090 C ALA A 71 0.072 0.493 11.582 1.00 13.03 C ATOM 1091 O ALA A 71 0.959 -0.336 11.784 1.00 74.43 O ATOM 1092 CB ALA A 71 -2.258 -0.384 11.733 1.00 61.45 C ATOM 0 H ALA A 71 -2.547 2.070 12.013 1.00 44.33 H new ATOM 0 HA ALA A 71 -1.007 0.091 13.387 1.00 65.44 H new ATOM 0 HB1 ALA A 71 -1.870 -1.398 11.632 1.00 61.45 H new ATOM 0 HB2 ALA A 71 -3.160 -0.400 12.344 1.00 61.45 H new ATOM 0 HB3 ALA A 71 -2.495 0.013 10.746 1.00 61.45 H new ATOM 1098 N MET A 72 0.168 1.445 10.674 1.00 34.53 N ATOM 1099 CA MET A 72 1.340 1.607 9.835 1.00 34.52 C ATOM 1100 C MET A 72 2.524 2.152 10.617 1.00 52.24 C ATOM 1101 O MET A 72 3.659 1.727 10.403 1.00 12.03 O ATOM 1102 CB MET A 72 1.006 2.516 8.661 1.00 44.02 C ATOM 1103 CG MET A 72 0.295 1.772 7.559 1.00 72.15 C ATOM 1104 SD MET A 72 1.335 0.469 6.893 1.00 30.12 S ATOM 1105 CE MET A 72 0.139 -0.526 6.032 1.00 1.04 C ATOM 0 H MET A 72 -0.567 2.130 10.497 1.00 34.53 H new ATOM 0 HA MET A 72 1.629 0.625 9.461 1.00 34.52 H new ATOM 0 HB2 MET A 72 0.380 3.339 9.006 1.00 44.02 H new ATOM 0 HB3 MET A 72 1.923 2.955 8.269 1.00 44.02 H new ATOM 0 HG2 MET A 72 -0.631 1.344 7.942 1.00 72.15 H new ATOM 0 HG3 MET A 72 0.020 2.466 6.764 1.00 72.15 H new ATOM 0 HE1 MET A 72 0.497 -0.734 5.024 1.00 1.04 H new ATOM 0 HE2 MET A 72 -0.006 -1.465 6.567 1.00 1.04 H new ATOM 0 HE3 MET A 72 -0.808 0.010 5.977 1.00 1.04 H new ATOM 1115 N ASN A 73 2.255 3.066 11.545 1.00 31.34 N ATOM 1116 CA ASN A 73 3.313 3.653 12.360 1.00 52.00 C ATOM 1117 C ASN A 73 3.766 2.671 13.441 1.00 64.45 C ATOM 1118 O ASN A 73 4.818 2.844 14.059 1.00 33.31 O ATOM 1119 CB ASN A 73 2.866 5.012 12.953 1.00 42.43 C ATOM 1120 CG ASN A 73 1.936 4.950 14.168 1.00 55.44 C ATOM 1121 OD1 ASN A 73 2.104 4.158 15.092 1.00 30.20 O ATOM 1122 ND2 ASN A 73 0.946 5.821 14.178 1.00 61.23 N ATOM 0 H ASN A 73 1.319 3.414 11.750 1.00 31.34 H new ATOM 0 HA ASN A 73 4.174 3.853 11.723 1.00 52.00 H new ATOM 0 HB2 ASN A 73 3.758 5.573 13.233 1.00 42.43 H new ATOM 0 HB3 ASN A 73 2.366 5.580 12.168 1.00 42.43 H new ATOM 0 HD21 ASN A 73 0.298 5.848 14.965 1.00 61.23 H new ATOM 0 HD22 ASN A 73 0.828 6.468 13.398 1.00 61.23 H new ATOM 1129 N ALA A 74 2.964 1.630 13.644 1.00 42.44 N ATOM 1130 CA ALA A 74 3.249 0.615 14.648 1.00 22.32 C ATOM 1131 C ALA A 74 4.092 -0.523 14.083 1.00 53.22 C ATOM 1132 O ALA A 74 4.527 -1.399 14.829 1.00 33.41 O ATOM 1133 CB ALA A 74 1.955 0.074 15.221 1.00 61.11 C ATOM 0 H ALA A 74 2.104 1.468 13.120 1.00 42.44 H new ATOM 0 HA ALA A 74 3.827 1.088 15.442 1.00 22.32 H new ATOM 0 HB1 ALA A 74 2.178 -0.685 15.971 1.00 61.11 H new ATOM 0 HB2 ALA A 74 1.394 0.886 15.682 1.00 61.11 H new ATOM 0 HB3 ALA A 74 1.361 -0.370 14.422 1.00 61.11 H new ATOM 1139 N ARG A 75 4.277 -0.530 12.761 1.00 50.31 N ATOM 1140 CA ARG A 75 5.151 -1.509 12.107 1.00 5.04 C ATOM 1141 C ARG A 75 6.573 -1.466 12.676 1.00 30.03 C ATOM 1142 O ARG A 75 7.064 -0.405 13.053 1.00 14.21 O ATOM 1143 CB ARG A 75 5.196 -1.275 10.593 1.00 33.42 C ATOM 1144 CG ARG A 75 4.140 -2.055 9.828 1.00 11.20 C ATOM 1145 CD ARG A 75 4.362 -1.996 8.324 1.00 10.11 C ATOM 1146 NE ARG A 75 4.012 -0.691 7.770 1.00 21.13 N ATOM 1147 CZ ARG A 75 4.869 0.156 7.202 1.00 34.31 C ATOM 1148 NH1 ARG A 75 6.159 -0.145 7.101 1.00 1.32 N ATOM 1149 NH2 ARG A 75 4.420 1.302 6.718 1.00 53.53 N ATOM 0 H ARG A 75 3.834 0.130 12.122 1.00 50.31 H new ATOM 0 HA ARG A 75 4.731 -2.495 12.305 1.00 5.04 H new ATOM 0 HB2 ARG A 75 5.066 -0.211 10.394 1.00 33.42 H new ATOM 0 HB3 ARG A 75 6.182 -1.551 10.220 1.00 33.42 H new ATOM 0 HG2 ARG A 75 4.150 -3.095 10.155 1.00 11.20 H new ATOM 0 HG3 ARG A 75 3.153 -1.656 10.064 1.00 11.20 H new ATOM 0 HD2 ARG A 75 5.407 -2.215 8.103 1.00 10.11 H new ATOM 0 HD3 ARG A 75 3.765 -2.768 7.839 1.00 10.11 H new ATOM 0 HE ARG A 75 3.034 -0.405 7.822 1.00 21.13 H new ATOM 0 HH11 ARG A 75 6.505 -1.035 7.461 1.00 1.32 H new ATOM 0 HH12 ARG A 75 6.804 0.513 6.664 1.00 1.32 H new ATOM 0 HH21 ARG A 75 3.428 1.529 6.782 1.00 53.53 H new ATOM 0 HH22 ARG A 75 5.066 1.959 6.281 1.00 53.53 H new ATOM 1163 N PRO A 76 7.265 -2.619 12.730 1.00 1.33 N ATOM 1164 CA PRO A 76 6.754 -3.904 12.238 1.00 31.14 C ATOM 1165 C PRO A 76 5.758 -4.563 13.194 1.00 43.54 C ATOM 1166 O PRO A 76 5.614 -4.146 14.344 1.00 61.42 O ATOM 1167 CB PRO A 76 8.018 -4.769 12.109 1.00 34.15 C ATOM 1168 CG PRO A 76 9.174 -3.877 12.433 1.00 62.53 C ATOM 1169 CD PRO A 76 8.618 -2.762 13.265 1.00 54.42 C ATOM 0 HA PRO A 76 6.202 -3.778 11.307 1.00 31.14 H new ATOM 0 HB2 PRO A 76 7.979 -5.618 12.792 1.00 34.15 H new ATOM 0 HB3 PRO A 76 8.110 -5.174 11.101 1.00 34.15 H new ATOM 0 HG2 PRO A 76 9.946 -4.421 12.977 1.00 62.53 H new ATOM 0 HG3 PRO A 76 9.636 -3.492 11.524 1.00 62.53 H new ATOM 0 HD2 PRO A 76 8.612 -3.011 14.326 1.00 54.42 H new ATOM 0 HD3 PRO A 76 9.197 -1.845 13.156 1.00 54.42 H new ATOM 1177 N HIS A 77 5.072 -5.592 12.709 1.00 43.22 N ATOM 1178 CA HIS A 77 4.069 -6.297 13.505 1.00 13.14 C ATOM 1179 C HIS A 77 4.393 -7.779 13.616 1.00 21.31 C ATOM 1180 O HIS A 77 5.070 -8.346 12.759 1.00 70.21 O ATOM 1181 CB HIS A 77 2.673 -6.137 12.900 1.00 42.31 C ATOM 1182 CG HIS A 77 2.055 -4.800 13.138 1.00 65.11 C ATOM 1183 ND1 HIS A 77 1.185 -4.586 14.176 1.00 20.23 N ATOM 1184 CD2 HIS A 77 2.196 -3.656 12.439 1.00 14.11 C ATOM 1185 CE1 HIS A 77 0.816 -3.321 14.080 1.00 33.32 C ATOM 1186 NE2 HIS A 77 1.406 -2.721 13.044 1.00 43.43 N ATOM 0 H HIS A 77 5.192 -5.959 11.765 1.00 43.22 H new ATOM 0 HA HIS A 77 4.084 -5.852 14.500 1.00 13.14 H new ATOM 0 HB2 HIS A 77 2.732 -6.312 11.826 1.00 42.31 H new ATOM 0 HB3 HIS A 77 2.020 -6.906 13.313 1.00 42.31 H new ATOM 0 HD1 HIS A 77 0.885 -5.263 14.877 1.00 20.23 H new ATOM 0 HD2 HIS A 77 2.816 -3.507 11.567 1.00 14.11 H new ATOM 0 HE1 HIS A 77 0.126 -2.835 14.753 1.00 33.32 H new ATOM 0 HE2 HIS A 77 1.289 -1.749 12.758 1.00 43.43 H new ATOM 1194 N LYS A 78 3.908 -8.398 14.681 1.00 11.54 N ATOM 1195 CA LYS A 78 4.092 -9.822 14.884 1.00 53.34 C ATOM 1196 C LYS A 78 2.816 -10.467 15.426 1.00 15.30 C ATOM 1197 O LYS A 78 2.439 -10.249 16.577 1.00 12.40 O ATOM 1198 CB LYS A 78 5.269 -10.069 15.834 1.00 51.40 C ATOM 1199 CG LYS A 78 5.418 -11.519 16.255 1.00 74.11 C ATOM 1200 CD LYS A 78 6.859 -11.869 16.586 1.00 34.34 C ATOM 1201 CE LYS A 78 7.656 -12.172 15.329 1.00 44.40 C ATOM 1202 NZ LYS A 78 9.081 -12.475 15.628 1.00 52.01 N ATOM 0 H LYS A 78 3.382 -7.932 15.420 1.00 11.54 H new ATOM 0 HA LYS A 78 4.315 -10.282 13.921 1.00 53.34 H new ATOM 0 HB2 LYS A 78 6.190 -9.744 15.350 1.00 51.40 H new ATOM 0 HB3 LYS A 78 5.142 -9.453 16.724 1.00 51.40 H new ATOM 0 HG2 LYS A 78 4.789 -11.711 17.124 1.00 74.11 H new ATOM 0 HG3 LYS A 78 5.062 -12.168 15.455 1.00 74.11 H new ATOM 0 HD2 LYS A 78 7.323 -11.041 17.122 1.00 34.34 H new ATOM 0 HD3 LYS A 78 6.882 -12.732 17.251 1.00 34.34 H new ATOM 0 HE2 LYS A 78 7.207 -13.020 14.811 1.00 44.40 H new ATOM 0 HE3 LYS A 78 7.602 -11.320 14.652 1.00 44.40 H new ATOM 0 HZ1 LYS A 78 9.587 -12.676 14.742 1.00 52.01 H new ATOM 0 HZ2 LYS A 78 9.518 -11.657 16.099 1.00 52.01 H new ATOM 0 HZ3 LYS A 78 9.136 -13.304 16.253 1.00 52.01 H new ATOM 1216 N VAL A 79 2.157 -11.258 14.584 1.00 61.21 N ATOM 1217 CA VAL A 79 0.937 -11.969 14.967 1.00 54.33 C ATOM 1218 C VAL A 79 1.224 -13.462 15.060 1.00 72.15 C ATOM 1219 O VAL A 79 1.815 -14.024 14.138 1.00 64.32 O ATOM 1220 CB VAL A 79 -0.200 -11.754 13.935 1.00 24.30 C ATOM 1221 CG1 VAL A 79 -1.520 -12.307 14.453 1.00 54.41 C ATOM 1222 CG2 VAL A 79 -0.347 -10.286 13.570 1.00 4.33 C ATOM 0 H VAL A 79 2.450 -11.425 13.621 1.00 61.21 H new ATOM 0 HA VAL A 79 0.616 -11.574 15.931 1.00 54.33 H new ATOM 0 HB VAL A 79 0.072 -12.301 13.032 1.00 24.30 H new ATOM 0 HG11 VAL A 79 -2.300 -12.143 13.710 1.00 54.41 H new ATOM 0 HG12 VAL A 79 -1.418 -13.376 14.642 1.00 54.41 H new ATOM 0 HG13 VAL A 79 -1.789 -11.799 15.379 1.00 54.41 H new ATOM 0 HG21 VAL A 79 -1.152 -10.170 12.845 1.00 4.33 H new ATOM 0 HG22 VAL A 79 -0.580 -9.710 14.466 1.00 4.33 H new ATOM 0 HG23 VAL A 79 0.586 -9.923 13.137 1.00 4.33 H new ATOM 1232 N ASP A 80 0.844 -14.083 16.186 1.00 43.02 N ATOM 1233 CA ASP A 80 1.002 -15.536 16.394 1.00 41.10 C ATOM 1234 C ASP A 80 2.489 -15.906 16.511 1.00 75.55 C ATOM 1235 O ASP A 80 2.890 -17.055 16.314 1.00 34.32 O ATOM 1236 CB ASP A 80 0.315 -16.328 15.257 1.00 24.14 C ATOM 1237 CG ASP A 80 0.206 -17.817 15.536 1.00 10.23 C ATOM 1238 OD1 ASP A 80 -0.464 -18.198 16.517 1.00 73.35 O ATOM 1239 OD2 ASP A 80 0.774 -18.615 14.759 1.00 60.03 O ATOM 0 H ASP A 80 0.420 -13.598 16.977 1.00 43.02 H new ATOM 0 HA ASP A 80 0.515 -15.807 17.331 1.00 41.10 H new ATOM 0 HB2 ASP A 80 -0.684 -15.923 15.095 1.00 24.14 H new ATOM 0 HB3 ASP A 80 0.873 -16.179 14.333 1.00 24.14 H new ATOM 1244 N GLY A 81 3.306 -14.921 16.864 1.00 64.34 N ATOM 1245 CA GLY A 81 4.741 -15.130 16.923 1.00 61.24 C ATOM 1246 C GLY A 81 5.364 -15.151 15.540 1.00 62.51 C ATOM 1247 O GLY A 81 6.428 -15.733 15.329 1.00 44.03 O ATOM 0 H GLY A 81 3.000 -13.980 17.111 1.00 64.34 H new ATOM 0 HA2 GLY A 81 5.200 -14.339 17.516 1.00 61.24 H new ATOM 0 HA3 GLY A 81 4.951 -16.072 17.431 1.00 61.24 H new ATOM 1251 N ARG A 82 4.697 -14.497 14.602 1.00 42.31 N ATOM 1252 CA ARG A 82 5.137 -14.450 13.220 1.00 74.04 C ATOM 1253 C ARG A 82 5.290 -12.998 12.777 1.00 51.21 C ATOM 1254 O ARG A 82 4.452 -12.166 13.103 1.00 52.33 O ATOM 1255 CB ARG A 82 4.118 -15.169 12.329 1.00 21.24 C ATOM 1256 CG ARG A 82 4.346 -14.961 10.846 1.00 44.42 C ATOM 1257 CD ARG A 82 5.351 -15.946 10.289 1.00 41.04 C ATOM 1258 NE ARG A 82 5.636 -15.696 8.878 1.00 30.14 N ATOM 1259 CZ ARG A 82 6.066 -16.626 8.028 1.00 14.53 C ATOM 1260 NH1 ARG A 82 6.263 -17.872 8.445 1.00 12.33 N ATOM 1261 NH2 ARG A 82 6.309 -16.305 6.762 1.00 53.45 N ATOM 0 H ARG A 82 3.834 -13.983 14.780 1.00 42.31 H new ATOM 0 HA ARG A 82 6.101 -14.950 13.130 1.00 74.04 H new ATOM 0 HB2 ARG A 82 4.150 -16.237 12.545 1.00 21.24 H new ATOM 0 HB3 ARG A 82 3.117 -14.822 12.585 1.00 21.24 H new ATOM 0 HG2 ARG A 82 3.400 -15.067 10.314 1.00 44.42 H new ATOM 0 HG3 ARG A 82 4.698 -13.944 10.671 1.00 44.42 H new ATOM 0 HD2 ARG A 82 6.276 -15.884 10.862 1.00 41.04 H new ATOM 0 HD3 ARG A 82 4.969 -16.960 10.408 1.00 41.04 H new ATOM 0 HE ARG A 82 5.497 -14.750 8.522 1.00 30.14 H new ATOM 0 HH11 ARG A 82 6.085 -18.118 9.419 1.00 12.33 H new ATOM 0 HH12 ARG A 82 6.592 -18.582 7.791 1.00 12.33 H new ATOM 0 HH21 ARG A 82 6.166 -15.347 6.442 1.00 53.45 H new ATOM 0 HH22 ARG A 82 6.639 -17.017 6.110 1.00 53.45 H new ATOM 1275 N VAL A 83 6.355 -12.695 12.040 1.00 13.34 N ATOM 1276 CA VAL A 83 6.569 -11.335 11.549 1.00 54.12 C ATOM 1277 C VAL A 83 5.649 -11.072 10.366 1.00 51.04 C ATOM 1278 O VAL A 83 5.839 -11.628 9.286 1.00 22.12 O ATOM 1279 CB VAL A 83 8.023 -11.075 11.104 1.00 32.42 C ATOM 1280 CG1 VAL A 83 8.195 -9.621 10.683 1.00 40.21 C ATOM 1281 CG2 VAL A 83 9.008 -11.427 12.201 1.00 42.41 C ATOM 0 H VAL A 83 7.077 -13.364 11.771 1.00 13.34 H new ATOM 0 HA VAL A 83 6.351 -10.664 12.380 1.00 54.12 H new ATOM 0 HB VAL A 83 8.232 -11.718 10.249 1.00 32.42 H new ATOM 0 HG11 VAL A 83 9.226 -9.452 10.372 1.00 40.21 H new ATOM 0 HG12 VAL A 83 7.524 -9.401 9.853 1.00 40.21 H new ATOM 0 HG13 VAL A 83 7.958 -8.968 11.523 1.00 40.21 H new ATOM 0 HG21 VAL A 83 10.023 -11.232 11.855 1.00 42.41 H new ATOM 0 HG22 VAL A 83 8.803 -10.820 13.083 1.00 42.41 H new ATOM 0 HG23 VAL A 83 8.908 -12.482 12.455 1.00 42.41 H new ATOM 1291 N VAL A 84 4.649 -10.240 10.573 1.00 54.52 N ATOM 1292 CA VAL A 84 3.682 -9.960 9.529 1.00 33.15 C ATOM 1293 C VAL A 84 3.885 -8.562 8.979 1.00 71.41 C ATOM 1294 O VAL A 84 4.342 -7.660 9.688 1.00 60.44 O ATOM 1295 CB VAL A 84 2.226 -10.125 10.025 1.00 12.31 C ATOM 1296 CG1 VAL A 84 2.088 -11.393 10.848 1.00 0.05 C ATOM 1297 CG2 VAL A 84 1.756 -8.913 10.820 1.00 41.44 C ATOM 0 H VAL A 84 4.484 -9.747 11.451 1.00 54.52 H new ATOM 0 HA VAL A 84 3.847 -10.689 8.735 1.00 33.15 H new ATOM 0 HB VAL A 84 1.586 -10.204 9.146 1.00 12.31 H new ATOM 0 HG11 VAL A 84 1.058 -11.495 11.190 1.00 0.05 H new ATOM 0 HG12 VAL A 84 2.354 -12.255 10.236 1.00 0.05 H new ATOM 0 HG13 VAL A 84 2.753 -11.341 11.710 1.00 0.05 H new ATOM 0 HG21 VAL A 84 0.729 -9.070 11.149 1.00 41.44 H new ATOM 0 HG22 VAL A 84 2.399 -8.776 11.689 1.00 41.44 H new ATOM 0 HG23 VAL A 84 1.803 -8.024 10.191 1.00 41.44 H new ATOM 1307 N GLU A 85 3.582 -8.396 7.709 1.00 50.02 N ATOM 1308 CA GLU A 85 3.698 -7.101 7.077 1.00 64.11 C ATOM 1309 C GLU A 85 2.348 -6.588 6.609 1.00 41.43 C ATOM 1310 O GLU A 85 1.811 -7.055 5.604 1.00 21.43 O ATOM 1311 CB GLU A 85 4.670 -7.154 5.906 1.00 50.34 C ATOM 1312 CG GLU A 85 5.710 -6.052 5.969 1.00 72.21 C ATOM 1313 CD GLU A 85 6.606 -6.005 4.755 1.00 21.42 C ATOM 1314 OE1 GLU A 85 7.190 -7.045 4.396 1.00 24.40 O ATOM 1315 OE2 GLU A 85 6.735 -4.916 4.160 1.00 60.34 O ATOM 0 H GLU A 85 3.254 -9.142 7.095 1.00 50.02 H new ATOM 0 HA GLU A 85 4.085 -6.409 7.825 1.00 64.11 H new ATOM 0 HB2 GLU A 85 5.170 -8.122 5.896 1.00 50.34 H new ATOM 0 HB3 GLU A 85 4.114 -7.073 4.972 1.00 50.34 H new ATOM 0 HG2 GLU A 85 5.205 -5.092 6.077 1.00 72.21 H new ATOM 0 HG3 GLU A 85 6.323 -6.191 6.859 1.00 72.21 H new ATOM 1322 N PRO A 86 1.769 -5.636 7.353 1.00 24.44 N ATOM 1323 CA PRO A 86 0.562 -4.956 6.927 1.00 52.14 C ATOM 1324 C PRO A 86 0.844 -3.988 5.787 1.00 44.15 C ATOM 1325 O PRO A 86 1.809 -3.219 5.819 1.00 5.14 O ATOM 1326 CB PRO A 86 0.083 -4.212 8.173 1.00 43.45 C ATOM 1327 CG PRO A 86 1.248 -4.136 9.097 1.00 11.35 C ATOM 1328 CD PRO A 86 2.248 -5.174 8.666 1.00 53.14 C ATOM 0 HA PRO A 86 -0.186 -5.650 6.545 1.00 52.14 H new ATOM 0 HB2 PRO A 86 -0.273 -3.214 7.916 1.00 43.45 H new ATOM 0 HB3 PRO A 86 -0.750 -4.737 8.642 1.00 43.45 H new ATOM 0 HG2 PRO A 86 1.694 -3.142 9.068 1.00 11.35 H new ATOM 0 HG3 PRO A 86 0.932 -4.314 10.125 1.00 11.35 H new ATOM 0 HD2 PRO A 86 3.250 -4.752 8.595 1.00 53.14 H new ATOM 0 HD3 PRO A 86 2.298 -5.996 9.380 1.00 53.14 H new ATOM 1336 N LYS A 87 0.009 -4.066 4.774 1.00 44.31 N ATOM 1337 CA LYS A 87 0.117 -3.236 3.588 1.00 33.05 C ATOM 1338 C LYS A 87 -1.249 -2.659 3.307 1.00 23.03 C ATOM 1339 O LYS A 87 -2.235 -3.172 3.818 1.00 53.43 O ATOM 1340 CB LYS A 87 0.589 -4.067 2.385 1.00 35.42 C ATOM 1341 CG LYS A 87 1.762 -4.986 2.690 1.00 24.13 C ATOM 1342 CD LYS A 87 3.022 -4.568 1.968 1.00 34.54 C ATOM 1343 CE LYS A 87 4.104 -5.609 2.152 1.00 51.54 C ATOM 1344 NZ LYS A 87 5.441 -5.087 1.798 1.00 63.32 N ATOM 0 H LYS A 87 -0.776 -4.716 4.748 1.00 44.31 H new ATOM 0 HA LYS A 87 0.847 -2.443 3.753 1.00 33.05 H new ATOM 0 HB2 LYS A 87 -0.245 -4.668 2.022 1.00 35.42 H new ATOM 0 HB3 LYS A 87 0.871 -3.391 1.578 1.00 35.42 H new ATOM 0 HG2 LYS A 87 1.946 -4.991 3.764 1.00 24.13 H new ATOM 0 HG3 LYS A 87 1.505 -6.006 2.406 1.00 24.13 H new ATOM 0 HD2 LYS A 87 2.813 -4.434 0.907 1.00 34.54 H new ATOM 0 HD3 LYS A 87 3.365 -3.606 2.349 1.00 34.54 H new ATOM 0 HE2 LYS A 87 4.110 -5.947 3.188 1.00 51.54 H new ATOM 0 HE3 LYS A 87 3.879 -6.479 1.534 1.00 51.54 H new ATOM 0 HZ1 LYS A 87 5.989 -5.831 1.321 1.00 63.32 H new ATOM 0 HZ2 LYS A 87 5.338 -4.271 1.161 1.00 63.32 H new ATOM 0 HZ3 LYS A 87 5.938 -4.791 2.662 1.00 63.32 H new ATOM 1358 N ARG A 88 -1.324 -1.600 2.530 1.00 61.11 N ATOM 1359 CA ARG A 88 -2.614 -1.044 2.167 1.00 34.23 C ATOM 1360 C ARG A 88 -3.346 -2.016 1.251 1.00 33.43 C ATOM 1361 O ARG A 88 -2.724 -2.685 0.424 1.00 3.42 O ATOM 1362 CB ARG A 88 -2.428 0.305 1.472 1.00 44.44 C ATOM 1363 CG ARG A 88 -3.719 1.078 1.233 1.00 5.14 C ATOM 1364 CD ARG A 88 -4.351 1.538 2.537 1.00 14.22 C ATOM 1365 NE ARG A 88 -3.409 2.308 3.359 1.00 53.42 N ATOM 1366 CZ ARG A 88 -3.730 3.370 4.096 1.00 3.44 C ATOM 1367 NH1 ARG A 88 -4.978 3.822 4.134 1.00 15.21 N ATOM 1368 NH2 ARG A 88 -2.793 3.975 4.808 1.00 52.30 N ATOM 0 H ARG A 88 -0.519 -1.110 2.140 1.00 61.11 H new ATOM 0 HA ARG A 88 -3.207 -0.888 3.068 1.00 34.23 H new ATOM 0 HB2 ARG A 88 -1.758 0.919 2.073 1.00 44.44 H new ATOM 0 HB3 ARG A 88 -1.936 0.140 0.514 1.00 44.44 H new ATOM 0 HG2 ARG A 88 -3.513 1.944 0.604 1.00 5.14 H new ATOM 0 HG3 ARG A 88 -4.424 0.449 0.689 1.00 5.14 H new ATOM 0 HD2 ARG A 88 -5.227 2.149 2.320 1.00 14.22 H new ATOM 0 HD3 ARG A 88 -4.698 0.671 3.098 1.00 14.22 H new ATOM 0 HE ARG A 88 -2.435 2.007 3.366 1.00 53.42 H new ATOM 0 HH11 ARG A 88 -5.706 3.355 3.594 1.00 15.21 H new ATOM 0 HH12 ARG A 88 -5.208 4.636 4.703 1.00 15.21 H new ATOM 0 HH21 ARG A 88 -1.834 3.627 4.789 1.00 52.30 H new ATOM 0 HH22 ARG A 88 -3.029 4.789 5.375 1.00 52.30 H new ATOM 1382 N ALA A 89 -4.649 -2.164 1.450 1.00 52.00 N ATOM 1383 CA ALA A 89 -5.448 -2.932 0.516 1.00 63.35 C ATOM 1384 C ALA A 89 -5.634 -2.146 -0.768 1.00 22.42 C ATOM 1385 O ALA A 89 -6.551 -1.335 -0.898 1.00 52.14 O ATOM 1386 CB ALA A 89 -6.787 -3.306 1.119 1.00 34.24 C ATOM 0 H ALA A 89 -5.164 -1.769 2.236 1.00 52.00 H new ATOM 0 HA ALA A 89 -4.922 -3.859 0.289 1.00 63.35 H new ATOM 0 HB1 ALA A 89 -7.364 -3.881 0.395 1.00 34.24 H new ATOM 0 HB2 ALA A 89 -6.628 -3.906 2.015 1.00 34.24 H new ATOM 0 HB3 ALA A 89 -7.334 -2.400 1.381 1.00 34.24 H new ATOM 1392 N VAL A 90 -4.729 -2.384 -1.694 1.00 64.43 N ATOM 1393 CA VAL A 90 -4.720 -1.705 -2.973 1.00 22.02 C ATOM 1394 C VAL A 90 -5.954 -2.058 -3.807 1.00 34.44 C ATOM 1395 O VAL A 90 -6.588 -3.100 -3.601 1.00 3.01 O ATOM 1396 CB VAL A 90 -3.421 -2.040 -3.747 1.00 15.42 C ATOM 1397 CG1 VAL A 90 -3.420 -3.473 -4.248 1.00 53.52 C ATOM 1398 CG2 VAL A 90 -3.206 -1.066 -4.883 1.00 2.13 C ATOM 0 H VAL A 90 -3.973 -3.059 -1.580 1.00 64.43 H new ATOM 0 HA VAL A 90 -4.751 -0.632 -2.784 1.00 22.02 H new ATOM 0 HB VAL A 90 -2.588 -1.940 -3.051 1.00 15.42 H new ATOM 0 HG11 VAL A 90 -2.493 -3.670 -4.786 1.00 53.52 H new ATOM 0 HG12 VAL A 90 -3.500 -4.155 -3.401 1.00 53.52 H new ATOM 0 HG13 VAL A 90 -4.267 -3.625 -4.917 1.00 53.52 H new ATOM 0 HG21 VAL A 90 -2.288 -1.321 -5.412 1.00 2.13 H new ATOM 0 HG22 VAL A 90 -4.049 -1.119 -5.572 1.00 2.13 H new ATOM 0 HG23 VAL A 90 -3.126 -0.054 -4.485 1.00 2.13 H new ATOM 1408 N SER A 91 -6.299 -1.166 -4.730 1.00 43.15 N ATOM 1409 CA SER A 91 -7.422 -1.366 -5.626 1.00 14.04 C ATOM 1410 C SER A 91 -7.213 -2.617 -6.470 1.00 62.54 C ATOM 1411 O SER A 91 -6.075 -3.034 -6.708 1.00 1.01 O ATOM 1412 CB SER A 91 -7.586 -0.151 -6.536 1.00 51.42 C ATOM 1413 OG SER A 91 -8.900 -0.070 -7.058 1.00 71.53 O ATOM 0 H SER A 91 -5.805 -0.285 -4.874 1.00 43.15 H new ATOM 0 HA SER A 91 -8.325 -1.492 -5.028 1.00 14.04 H new ATOM 0 HB2 SER A 91 -7.358 0.757 -5.978 1.00 51.42 H new ATOM 0 HB3 SER A 91 -6.870 -0.209 -7.356 1.00 51.42 H new ATOM 0 HG SER A 91 -9.501 0.296 -6.376 1.00 71.53 H new ATOM 1419 N ARG A 92 -8.318 -3.188 -6.940 1.00 41.43 N ATOM 1420 CA ARG A 92 -8.297 -4.450 -7.677 1.00 14.24 C ATOM 1421 C ARG A 92 -7.464 -4.353 -8.956 1.00 74.43 C ATOM 1422 O ARG A 92 -6.940 -5.358 -9.444 1.00 20.51 O ATOM 1423 CB ARG A 92 -9.726 -4.880 -8.017 1.00 42.34 C ATOM 1424 CG ARG A 92 -9.828 -6.321 -8.489 1.00 53.13 C ATOM 1425 CD ARG A 92 -9.539 -7.296 -7.360 1.00 42.24 C ATOM 1426 NE ARG A 92 -9.465 -8.671 -7.834 1.00 11.32 N ATOM 1427 CZ ARG A 92 -9.466 -9.734 -7.037 1.00 42.42 C ATOM 1428 NH1 ARG A 92 -9.539 -9.586 -5.719 1.00 32.13 N ATOM 1429 NH2 ARG A 92 -9.382 -10.946 -7.559 1.00 31.23 N ATOM 0 H ARG A 92 -9.250 -2.792 -6.822 1.00 41.43 H new ATOM 0 HA ARG A 92 -7.830 -5.198 -7.036 1.00 14.24 H new ATOM 0 HB2 ARG A 92 -10.356 -4.748 -7.137 1.00 42.34 H new ATOM 0 HB3 ARG A 92 -10.120 -4.223 -8.792 1.00 42.34 H new ATOM 0 HG2 ARG A 92 -10.827 -6.506 -8.885 1.00 53.13 H new ATOM 0 HG3 ARG A 92 -9.125 -6.489 -9.305 1.00 53.13 H new ATOM 0 HD2 ARG A 92 -8.598 -7.027 -6.880 1.00 42.24 H new ATOM 0 HD3 ARG A 92 -10.318 -7.215 -6.602 1.00 42.24 H new ATOM 0 HE ARG A 92 -9.409 -8.828 -8.840 1.00 11.32 H new ATOM 0 HH11 ARG A 92 -9.595 -8.652 -5.313 1.00 32.13 H new ATOM 0 HH12 ARG A 92 -9.539 -10.406 -5.113 1.00 32.13 H new ATOM 0 HH21 ARG A 92 -9.317 -11.062 -8.570 1.00 31.23 H new ATOM 0 HH22 ARG A 92 -9.382 -11.765 -6.950 1.00 31.23 H new ATOM 1443 N GLU A 93 -7.338 -3.142 -9.484 1.00 32.33 N ATOM 1444 CA GLU A 93 -6.558 -2.910 -10.688 1.00 52.14 C ATOM 1445 C GLU A 93 -5.074 -3.174 -10.440 1.00 32.34 C ATOM 1446 O GLU A 93 -4.459 -3.983 -11.131 1.00 12.44 O ATOM 1447 CB GLU A 93 -6.765 -1.477 -11.181 1.00 74.31 C ATOM 1448 CG GLU A 93 -6.040 -1.162 -12.482 1.00 22.04 C ATOM 1449 CD GLU A 93 -6.558 -1.967 -13.658 1.00 32.30 C ATOM 1450 OE1 GLU A 93 -6.150 -3.133 -13.817 1.00 1.33 O ATOM 1451 OE2 GLU A 93 -7.363 -1.428 -14.442 1.00 15.21 O ATOM 0 H GLU A 93 -7.769 -2.304 -9.094 1.00 32.33 H new ATOM 0 HA GLU A 93 -6.902 -3.604 -11.455 1.00 52.14 H new ATOM 0 HB2 GLU A 93 -7.832 -1.301 -11.319 1.00 74.31 H new ATOM 0 HB3 GLU A 93 -6.425 -0.785 -10.410 1.00 74.31 H new ATOM 0 HG2 GLU A 93 -6.144 -0.099 -12.702 1.00 22.04 H new ATOM 0 HG3 GLU A 93 -4.975 -1.358 -12.355 1.00 22.04 H new ATOM 1458 N ASP A 94 -4.510 -2.523 -9.435 1.00 21.34 N ATOM 1459 CA ASP A 94 -3.075 -2.610 -9.194 1.00 0.54 C ATOM 1460 C ASP A 94 -2.688 -3.969 -8.618 1.00 35.24 C ATOM 1461 O ASP A 94 -1.604 -4.473 -8.904 1.00 61.40 O ATOM 1462 CB ASP A 94 -2.616 -1.486 -8.272 1.00 43.23 C ATOM 1463 CG ASP A 94 -1.113 -1.465 -8.085 1.00 22.51 C ATOM 1464 OD1 ASP A 94 -0.407 -0.931 -8.968 1.00 54.22 O ATOM 1465 OD2 ASP A 94 -0.635 -1.976 -7.047 1.00 21.12 O ATOM 0 H ASP A 94 -5.018 -1.932 -8.776 1.00 21.34 H new ATOM 0 HA ASP A 94 -2.570 -2.500 -10.154 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -2.941 -0.529 -8.681 1.00 43.23 H new ATOM 0 HB3 ASP A 94 -3.098 -1.598 -7.301 1.00 43.23 H new ATOM 1470 N SER A 95 -3.599 -4.588 -7.857 1.00 41.03 N ATOM 1471 CA SER A 95 -3.344 -5.914 -7.282 1.00 53.31 C ATOM 1472 C SER A 95 -3.290 -6.993 -8.363 1.00 51.15 C ATOM 1473 O SER A 95 -2.920 -8.138 -8.097 1.00 13.21 O ATOM 1474 CB SER A 95 -4.401 -6.269 -6.228 1.00 24.45 C ATOM 1475 OG SER A 95 -5.713 -6.016 -6.696 1.00 22.43 O ATOM 0 H SER A 95 -4.512 -4.196 -7.627 1.00 41.03 H new ATOM 0 HA SER A 95 -2.369 -5.874 -6.796 1.00 53.31 H new ATOM 0 HB2 SER A 95 -4.307 -7.321 -5.959 1.00 24.45 H new ATOM 0 HB3 SER A 95 -4.220 -5.691 -5.322 1.00 24.45 H new ATOM 0 HG SER A 95 -5.913 -5.061 -6.609 1.00 22.43 H new ATOM 1481 N GLN A 96 -3.653 -6.618 -9.587 1.00 53.24 N ATOM 1482 CA GLN A 96 -3.564 -7.516 -10.725 1.00 23.31 C ATOM 1483 C GLN A 96 -2.107 -7.689 -11.152 1.00 12.20 C ATOM 1484 O GLN A 96 -1.753 -8.677 -11.798 1.00 73.35 O ATOM 1485 CB GLN A 96 -4.381 -6.968 -11.895 1.00 55.55 C ATOM 1486 CG GLN A 96 -4.768 -8.023 -12.918 1.00 23.12 C ATOM 1487 CD GLN A 96 -5.679 -9.091 -12.341 1.00 11.10 C ATOM 1488 OE1 GLN A 96 -6.519 -8.710 -11.391 1.00 63.32 O flip ATOM 1489 NE2 GLN A 96 -5.637 -10.248 -12.755 1.00 14.20 N flip ATOM 0 H GLN A 96 -4.013 -5.691 -9.812 1.00 53.24 H new ATOM 0 HA GLN A 96 -3.966 -8.486 -10.432 1.00 23.31 H new ATOM 0 HB2 GLN A 96 -5.287 -6.502 -11.507 1.00 55.55 H new ATOM 0 HB3 GLN A 96 -3.807 -6.186 -12.392 1.00 55.55 H new ATOM 0 HG2 GLN A 96 -5.266 -7.542 -13.760 1.00 23.12 H new ATOM 0 HG3 GLN A 96 -3.865 -8.493 -13.308 1.00 23.12 H new ATOM 0 HE21 GLN A 96 -4.976 -10.504 -13.488 1.00 14.20 H new ATOM 0 HE22 GLN A 96 -6.263 -10.952 -12.365 1.00 14.20 H new ATOM 1498 N ARG A 97 -1.269 -6.727 -10.782 1.00 21.12 N ATOM 1499 CA ARG A 97 0.142 -6.758 -11.136 1.00 12.02 C ATOM 1500 C ARG A 97 0.907 -7.691 -10.207 1.00 71.12 C ATOM 1501 O ARG A 97 0.496 -7.926 -9.069 1.00 63.42 O ATOM 1502 CB ARG A 97 0.766 -5.357 -11.074 1.00 24.40 C ATOM 1503 CG ARG A 97 0.528 -4.506 -12.314 1.00 10.31 C ATOM 1504 CD ARG A 97 -0.895 -3.984 -12.392 1.00 14.41 C ATOM 1505 NE ARG A 97 -1.103 -3.162 -13.583 1.00 65.11 N ATOM 1506 CZ ARG A 97 -2.290 -2.932 -14.141 1.00 11.14 C ATOM 1507 NH1 ARG A 97 -3.388 -3.460 -13.615 1.00 0.43 N ATOM 1508 NH2 ARG A 97 -2.375 -2.175 -15.227 1.00 22.22 N ATOM 0 H ARG A 97 -1.546 -5.913 -10.234 1.00 21.12 H new ATOM 0 HA ARG A 97 0.212 -7.126 -12.160 1.00 12.02 H new ATOM 0 HB2 ARG A 97 0.366 -4.833 -10.206 1.00 24.40 H new ATOM 0 HB3 ARG A 97 1.840 -5.458 -10.918 1.00 24.40 H new ATOM 0 HG2 ARG A 97 1.221 -3.665 -12.313 1.00 10.31 H new ATOM 0 HG3 ARG A 97 0.745 -5.097 -13.204 1.00 10.31 H new ATOM 0 HD2 ARG A 97 -1.591 -4.823 -12.402 1.00 14.41 H new ATOM 0 HD3 ARG A 97 -1.117 -3.397 -11.501 1.00 14.41 H new ATOM 0 HE ARG A 97 -0.284 -2.736 -14.016 1.00 65.11 H new ATOM 0 HH11 ARG A 97 -3.324 -4.044 -12.781 1.00 0.43 H new ATOM 0 HH12 ARG A 97 -4.296 -3.282 -14.045 1.00 0.43 H new ATOM 0 HH21 ARG A 97 -1.532 -1.770 -15.634 1.00 22.22 H new ATOM 0 HH22 ARG A 97 -3.284 -1.998 -15.655 1.00 22.22 H new ATOM 1522 N PRO A 98 2.028 -8.237 -10.691 1.00 42.53 N ATOM 1523 CA PRO A 98 2.906 -9.082 -9.885 1.00 22.33 C ATOM 1524 C PRO A 98 3.657 -8.265 -8.837 1.00 14.41 C ATOM 1525 O PRO A 98 4.246 -7.227 -9.150 1.00 60.13 O ATOM 1526 CB PRO A 98 3.877 -9.672 -10.912 1.00 73.01 C ATOM 1527 CG PRO A 98 3.881 -8.713 -12.054 1.00 54.22 C ATOM 1528 CD PRO A 98 2.524 -8.064 -12.070 1.00 62.43 C ATOM 0 HA PRO A 98 2.359 -9.841 -9.327 1.00 22.33 H new ATOM 0 HB2 PRO A 98 4.876 -9.783 -10.489 1.00 73.01 H new ATOM 0 HB3 PRO A 98 3.555 -10.663 -11.233 1.00 73.01 H new ATOM 0 HG2 PRO A 98 4.666 -7.967 -11.932 1.00 54.22 H new ATOM 0 HG3 PRO A 98 4.075 -9.230 -12.994 1.00 54.22 H new ATOM 0 HD2 PRO A 98 2.589 -7.010 -12.341 1.00 62.43 H new ATOM 0 HD3 PRO A 98 1.863 -8.540 -12.794 1.00 62.43 H new ATOM 1536 N GLY A 99 3.612 -8.719 -7.593 1.00 1.22 N ATOM 1537 CA GLY A 99 4.304 -8.023 -6.524 1.00 74.33 C ATOM 1538 C GLY A 99 3.609 -6.736 -6.121 1.00 12.24 C ATOM 1539 O GLY A 99 4.261 -5.760 -5.746 1.00 64.03 O ATOM 0 H GLY A 99 3.109 -9.557 -7.303 1.00 1.22 H new ATOM 0 HA2 GLY A 99 4.378 -8.679 -5.657 1.00 74.33 H new ATOM 0 HA3 GLY A 99 5.322 -7.798 -6.841 1.00 74.33 H new ATOM 1543 N ALA A 100 2.284 -6.738 -6.193 1.00 61.20 N ATOM 1544 CA ALA A 100 1.492 -5.568 -5.840 1.00 74.14 C ATOM 1545 C ALA A 100 1.423 -5.402 -4.330 1.00 51.30 C ATOM 1546 O ALA A 100 1.409 -4.289 -3.814 1.00 24.33 O ATOM 1547 CB ALA A 100 0.097 -5.683 -6.421 1.00 73.12 C ATOM 0 H ALA A 100 1.733 -7.542 -6.494 1.00 61.20 H new ATOM 0 HA ALA A 100 1.975 -4.686 -6.261 1.00 74.14 H new ATOM 0 HB1 ALA A 100 -0.484 -4.802 -6.149 1.00 73.12 H new ATOM 0 HB2 ALA A 100 0.160 -5.756 -7.507 1.00 73.12 H new ATOM 0 HB3 ALA A 100 -0.390 -6.575 -6.025 1.00 73.12 H new ATOM 1553 N HIS A 101 1.398 -6.518 -3.625 1.00 71.33 N ATOM 1554 CA HIS A 101 1.346 -6.503 -2.173 1.00 13.12 C ATOM 1555 C HIS A 101 2.728 -6.757 -1.586 1.00 11.44 C ATOM 1556 O HIS A 101 2.873 -7.158 -0.429 1.00 10.32 O ATOM 1557 CB HIS A 101 0.339 -7.538 -1.671 1.00 63.04 C ATOM 1558 CG HIS A 101 -1.085 -7.095 -1.812 1.00 61.11 C ATOM 1559 ND1 HIS A 101 -2.037 -7.901 -2.389 1.00 1.22 N ATOM 1560 CD2 HIS A 101 -1.664 -5.932 -1.424 1.00 13.45 C ATOM 1561 CE1 HIS A 101 -3.168 -7.215 -2.341 1.00 40.24 C ATOM 1562 NE2 HIS A 101 -2.990 -6.018 -1.765 1.00 51.04 N ATOM 0 H HIS A 101 1.413 -7.451 -4.036 1.00 71.33 H new ATOM 0 HA HIS A 101 1.018 -5.517 -1.844 1.00 13.12 H new ATOM 0 HB2 HIS A 101 0.479 -8.468 -2.222 1.00 63.04 H new ATOM 0 HB3 HIS A 101 0.543 -7.754 -0.622 1.00 63.04 H new ATOM 0 HD1 HIS A 101 -1.900 -8.835 -2.775 1.00 1.22 H new ATOM 0 HD2 HIS A 101 -1.176 -5.099 -0.940 1.00 13.45 H new ATOM 0 HE1 HIS A 101 -4.114 -7.574 -2.718 1.00 40.24 H new ATOM 1570 N LEU A 102 3.746 -6.514 -2.399 1.00 42.25 N ATOM 1571 CA LEU A 102 5.126 -6.589 -1.951 1.00 1.40 C ATOM 1572 C LEU A 102 5.574 -5.220 -1.461 1.00 1.23 C ATOM 1573 O LEU A 102 4.798 -4.265 -1.479 1.00 25.42 O ATOM 1574 CB LEU A 102 6.040 -7.076 -3.083 1.00 43.34 C ATOM 1575 CG LEU A 102 6.454 -8.554 -3.018 1.00 35.25 C ATOM 1576 CD1 LEU A 102 7.380 -8.801 -1.835 1.00 13.13 C ATOM 1577 CD2 LEU A 102 5.233 -9.462 -2.936 1.00 41.04 C ATOM 0 H LEU A 102 3.638 -6.261 -3.381 1.00 42.25 H new ATOM 0 HA LEU A 102 5.193 -7.306 -1.132 1.00 1.40 H new ATOM 0 HB2 LEU A 102 5.535 -6.901 -4.033 1.00 43.34 H new ATOM 0 HB3 LEU A 102 6.943 -6.465 -3.084 1.00 43.34 H new ATOM 0 HG LEU A 102 6.992 -8.791 -3.936 1.00 35.25 H new ATOM 0 HD11 LEU A 102 7.662 -9.854 -1.807 1.00 13.13 H new ATOM 0 HD12 LEU A 102 8.276 -8.189 -1.940 1.00 13.13 H new ATOM 0 HD13 LEU A 102 6.867 -8.538 -0.910 1.00 13.13 H new ATOM 0 HD21 LEU A 102 5.556 -10.502 -2.891 1.00 41.04 H new ATOM 0 HD22 LEU A 102 4.660 -9.221 -2.041 1.00 41.04 H new ATOM 0 HD23 LEU A 102 4.609 -9.313 -3.817 1.00 41.04 H new ATOM 1589 N THR A 103 6.807 -5.121 -1.000 1.00 13.31 N ATOM 1590 CA THR A 103 7.319 -3.858 -0.503 1.00 33.41 C ATOM 1591 C THR A 103 7.789 -2.979 -1.656 1.00 1.33 C ATOM 1592 O THR A 103 8.890 -3.145 -2.174 1.00 33.44 O ATOM 1593 CB THR A 103 8.458 -4.085 0.505 1.00 23.44 C ATOM 1594 OG1 THR A 103 8.360 -5.416 1.036 1.00 2.14 O ATOM 1595 CG2 THR A 103 8.370 -3.080 1.643 1.00 1.43 C ATOM 0 H THR A 103 7.469 -5.896 -0.959 1.00 13.31 H new ATOM 0 HA THR A 103 6.508 -3.344 0.014 1.00 33.41 H new ATOM 0 HB THR A 103 9.413 -3.955 -0.004 1.00 23.44 H new ATOM 0 HG1 THR A 103 9.085 -5.566 1.678 1.00 2.14 H new ATOM 0 HG21 THR A 103 9.184 -3.255 2.347 1.00 1.43 H new ATOM 0 HG22 THR A 103 8.448 -2.069 1.243 1.00 1.43 H new ATOM 0 HG23 THR A 103 7.415 -3.194 2.156 1.00 1.43 H new ATOM 1603 N VAL A 104 6.912 -2.072 -2.071 1.00 33.20 N ATOM 1604 CA VAL A 104 7.189 -1.156 -3.168 1.00 22.11 C ATOM 1605 C VAL A 104 7.047 0.273 -2.683 1.00 71.54 C ATOM 1606 O VAL A 104 5.949 0.685 -2.314 1.00 43.22 O ATOM 1607 CB VAL A 104 6.197 -1.352 -4.331 1.00 13.41 C ATOM 1608 CG1 VAL A 104 6.553 -0.446 -5.498 1.00 42.12 C ATOM 1609 CG2 VAL A 104 6.133 -2.806 -4.766 1.00 52.32 C ATOM 0 H VAL A 104 5.988 -1.952 -1.655 1.00 33.20 H new ATOM 0 HA VAL A 104 8.202 -1.359 -3.516 1.00 22.11 H new ATOM 0 HB VAL A 104 5.205 -1.074 -3.975 1.00 13.41 H new ATOM 0 HG11 VAL A 104 5.841 -0.600 -6.309 1.00 42.12 H new ATOM 0 HG12 VAL A 104 6.516 0.594 -5.175 1.00 42.12 H new ATOM 0 HG13 VAL A 104 7.558 -0.682 -5.848 1.00 42.12 H new ATOM 0 HG21 VAL A 104 5.424 -2.909 -5.588 1.00 52.32 H new ATOM 0 HG22 VAL A 104 7.120 -3.131 -5.095 1.00 52.32 H new ATOM 0 HG23 VAL A 104 5.809 -3.423 -3.928 1.00 52.32 H new ATOM 1619 N LYS A 105 8.135 1.026 -2.644 1.00 20.33 N ATOM 1620 CA LYS A 105 8.053 2.417 -2.240 1.00 22.11 C ATOM 1621 C LYS A 105 8.318 3.351 -3.420 1.00 60.34 C ATOM 1622 O LYS A 105 8.692 4.502 -3.234 1.00 44.24 O ATOM 1623 CB LYS A 105 9.061 2.683 -1.122 1.00 40.34 C ATOM 1624 CG LYS A 105 8.964 1.694 0.027 1.00 45.44 C ATOM 1625 CD LYS A 105 9.828 2.112 1.201 1.00 61.12 C ATOM 1626 CE LYS A 105 9.688 1.145 2.364 1.00 40.53 C ATOM 1627 NZ LYS A 105 10.612 1.477 3.480 1.00 32.53 N ATOM 0 H LYS A 105 9.072 0.702 -2.884 1.00 20.33 H new ATOM 0 HA LYS A 105 7.044 2.614 -1.878 1.00 22.11 H new ATOM 0 HB2 LYS A 105 10.069 2.649 -1.536 1.00 40.34 H new ATOM 0 HB3 LYS A 105 8.908 3.691 -0.737 1.00 40.34 H new ATOM 0 HG2 LYS A 105 7.926 1.612 0.350 1.00 45.44 H new ATOM 0 HG3 LYS A 105 9.270 0.706 -0.317 1.00 45.44 H new ATOM 0 HD2 LYS A 105 10.871 2.159 0.888 1.00 61.12 H new ATOM 0 HD3 LYS A 105 9.546 3.114 1.523 1.00 61.12 H new ATOM 0 HE2 LYS A 105 8.660 1.162 2.727 1.00 40.53 H new ATOM 0 HE3 LYS A 105 9.887 0.131 2.018 1.00 40.53 H new ATOM 0 HZ1 LYS A 105 10.328 0.955 4.333 1.00 32.53 H new ATOM 0 HZ2 LYS A 105 11.583 1.210 3.218 1.00 32.53 H new ATOM 0 HZ3 LYS A 105 10.573 2.499 3.671 1.00 32.53 H new ATOM 1641 N LYS A 106 8.132 2.850 -4.630 1.00 62.14 N ATOM 1642 CA LYS A 106 8.291 3.675 -5.823 1.00 61.23 C ATOM 1643 C LYS A 106 7.053 3.629 -6.715 1.00 54.45 C ATOM 1644 O LYS A 106 6.371 2.605 -6.798 1.00 43.43 O ATOM 1645 CB LYS A 106 9.520 3.217 -6.599 1.00 74.51 C ATOM 1646 CG LYS A 106 10.726 4.123 -6.425 1.00 75.10 C ATOM 1647 CD LYS A 106 10.715 5.261 -7.428 1.00 23.03 C ATOM 1648 CE LYS A 106 11.017 4.773 -8.836 1.00 65.44 C ATOM 1649 NZ LYS A 106 12.428 4.339 -8.991 1.00 73.24 N ATOM 0 H LYS A 106 7.872 1.881 -4.815 1.00 62.14 H new ATOM 0 HA LYS A 106 8.422 4.709 -5.505 1.00 61.23 H new ATOM 0 HB2 LYS A 106 9.785 2.209 -6.280 1.00 74.51 H new ATOM 0 HB3 LYS A 106 9.269 3.160 -7.658 1.00 74.51 H new ATOM 0 HG2 LYS A 106 10.735 4.528 -5.413 1.00 75.10 H new ATOM 0 HG3 LYS A 106 11.640 3.541 -6.543 1.00 75.10 H new ATOM 0 HD2 LYS A 106 9.741 5.749 -7.413 1.00 23.03 H new ATOM 0 HD3 LYS A 106 11.451 6.010 -7.137 1.00 23.03 H new ATOM 0 HE2 LYS A 106 10.355 3.942 -9.080 1.00 65.44 H new ATOM 0 HE3 LYS A 106 10.804 5.570 -9.548 1.00 65.44 H new ATOM 0 HZ1 LYS A 106 12.557 3.906 -9.928 1.00 73.24 H new ATOM 0 HZ2 LYS A 106 13.056 5.163 -8.901 1.00 73.24 H new ATOM 0 HZ3 LYS A 106 12.661 3.644 -8.253 1.00 73.24 H new ATOM 1663 N ILE A 107 6.753 4.753 -7.371 1.00 21.42 N ATOM 1664 CA ILE A 107 5.619 4.838 -8.292 1.00 0.11 C ATOM 1665 C ILE A 107 6.027 5.430 -9.634 1.00 50.43 C ATOM 1666 O ILE A 107 6.990 6.195 -9.728 1.00 55.32 O ATOM 1667 CB ILE A 107 4.470 5.700 -7.731 1.00 73.14 C ATOM 1668 CG1 ILE A 107 5.032 6.945 -7.040 1.00 73.41 C ATOM 1669 CG2 ILE A 107 3.602 4.886 -6.791 1.00 34.23 C ATOM 1670 CD1 ILE A 107 3.972 7.911 -6.576 1.00 14.52 C ATOM 0 H ILE A 107 7.283 5.620 -7.280 1.00 21.42 H new ATOM 0 HA ILE A 107 5.275 3.812 -8.421 1.00 0.11 H new ATOM 0 HB ILE A 107 3.840 6.030 -8.557 1.00 73.14 H new ATOM 0 HG12 ILE A 107 5.629 6.635 -6.182 1.00 73.41 H new ATOM 0 HG13 ILE A 107 5.704 7.459 -7.727 1.00 73.41 H new ATOM 0 HG21 ILE A 107 2.797 5.512 -6.406 1.00 34.23 H new ATOM 0 HG22 ILE A 107 3.177 4.039 -7.330 1.00 34.23 H new ATOM 0 HG23 ILE A 107 4.207 4.521 -5.961 1.00 34.23 H new ATOM 0 HD11 ILE A 107 4.445 8.768 -6.096 1.00 14.52 H new ATOM 0 HD12 ILE A 107 3.389 8.251 -7.432 1.00 14.52 H new ATOM 0 HD13 ILE A 107 3.314 7.414 -5.863 1.00 14.52 H new ATOM 1682 N PHE A 108 5.277 5.061 -10.660 1.00 71.32 N ATOM 1683 CA PHE A 108 5.453 5.594 -12.001 1.00 1.35 C ATOM 1684 C PHE A 108 4.399 6.664 -12.262 1.00 61.10 C ATOM 1685 O PHE A 108 3.251 6.510 -11.855 1.00 31.41 O ATOM 1686 CB PHE A 108 5.344 4.453 -13.029 1.00 51.11 C ATOM 1687 CG PHE A 108 4.894 4.874 -14.405 1.00 11.41 C ATOM 1688 CD1 PHE A 108 5.808 5.320 -15.346 1.00 1.31 C ATOM 1689 CD2 PHE A 108 3.551 4.820 -14.754 1.00 15.32 C ATOM 1690 CE1 PHE A 108 5.390 5.705 -16.608 1.00 24.51 C ATOM 1691 CE2 PHE A 108 3.128 5.203 -16.009 1.00 0.22 C ATOM 1692 CZ PHE A 108 4.050 5.645 -16.939 1.00 52.40 C ATOM 0 H PHE A 108 4.523 4.378 -10.585 1.00 71.32 H new ATOM 0 HA PHE A 108 6.440 6.047 -12.094 1.00 1.35 H new ATOM 0 HB2 PHE A 108 6.316 3.967 -13.114 1.00 51.11 H new ATOM 0 HB3 PHE A 108 4.647 3.707 -12.648 1.00 51.11 H new ATOM 0 HD1 PHE A 108 6.857 5.368 -15.092 1.00 1.31 H new ATOM 0 HD2 PHE A 108 2.827 4.473 -14.032 1.00 15.32 H new ATOM 0 HE1 PHE A 108 6.111 6.052 -17.334 1.00 24.51 H new ATOM 0 HE2 PHE A 108 2.080 5.158 -16.265 1.00 0.22 H new ATOM 0 HZ PHE A 108 3.723 5.943 -17.924 1.00 52.40 H new ATOM 1702 N VAL A 109 4.800 7.743 -12.916 1.00 44.24 N ATOM 1703 CA VAL A 109 3.882 8.820 -13.276 1.00 55.35 C ATOM 1704 C VAL A 109 4.063 9.177 -14.750 1.00 72.40 C ATOM 1705 O VAL A 109 5.096 9.707 -15.128 1.00 32.14 O ATOM 1706 CB VAL A 109 4.136 10.089 -12.424 1.00 0.53 C ATOM 1707 CG1 VAL A 109 3.042 11.123 -12.646 1.00 33.24 C ATOM 1708 CG2 VAL A 109 4.254 9.744 -10.948 1.00 2.14 C ATOM 0 H VAL A 109 5.764 7.899 -13.212 1.00 44.24 H new ATOM 0 HA VAL A 109 2.867 8.469 -13.088 1.00 55.35 H new ATOM 0 HB VAL A 109 5.083 10.520 -12.748 1.00 0.53 H new ATOM 0 HG11 VAL A 109 3.244 12.004 -12.036 1.00 33.24 H new ATOM 0 HG12 VAL A 109 3.018 11.408 -13.698 1.00 33.24 H new ATOM 0 HG13 VAL A 109 2.078 10.700 -12.363 1.00 33.24 H new ATOM 0 HG21 VAL A 109 4.432 10.654 -10.375 1.00 2.14 H new ATOM 0 HG22 VAL A 109 3.330 9.276 -10.609 1.00 2.14 H new ATOM 0 HG23 VAL A 109 5.085 9.054 -10.801 1.00 2.14 H new ATOM 1718 N GLY A 110 3.078 8.889 -15.584 1.00 34.42 N ATOM 1719 CA GLY A 110 3.238 9.159 -17.001 1.00 44.53 C ATOM 1720 C GLY A 110 1.975 9.657 -17.664 1.00 4.12 C ATOM 1721 O GLY A 110 0.895 9.606 -17.078 1.00 4.12 O ATOM 0 H GLY A 110 2.183 8.480 -15.315 1.00 34.42 H new ATOM 0 HA2 GLY A 110 4.026 9.900 -17.135 1.00 44.53 H new ATOM 0 HA3 GLY A 110 3.568 8.249 -17.502 1.00 44.53 H new ATOM 1725 N GLY A 111 2.117 10.154 -18.885 1.00 63.42 N ATOM 1726 CA GLY A 111 0.965 10.620 -19.633 1.00 35.34 C ATOM 1727 C GLY A 111 0.640 12.069 -19.341 1.00 23.44 C ATOM 1728 O GLY A 111 -0.527 12.448 -19.241 1.00 44.33 O ATOM 0 H GLY A 111 3.009 10.243 -19.372 1.00 63.42 H new ATOM 0 HA2 GLY A 111 1.154 10.500 -20.700 1.00 35.34 H new ATOM 0 HA3 GLY A 111 0.102 10.000 -19.391 1.00 35.34 H new ATOM 1732 N ILE A 112 1.676 12.876 -19.187 1.00 30.44 N ATOM 1733 CA ILE A 112 1.504 14.303 -18.970 1.00 51.24 C ATOM 1734 C ILE A 112 1.400 15.019 -20.314 1.00 70.32 C ATOM 1735 O ILE A 112 2.045 14.624 -21.283 1.00 20.15 O ATOM 1736 CB ILE A 112 2.655 14.891 -18.120 1.00 51.11 C ATOM 1737 CG1 ILE A 112 4.022 14.542 -18.731 1.00 4.02 C ATOM 1738 CG2 ILE A 112 2.555 14.370 -16.690 1.00 45.31 C ATOM 1739 CD1 ILE A 112 5.206 14.999 -17.902 1.00 32.42 C ATOM 0 H ILE A 112 2.648 12.567 -19.208 1.00 30.44 H new ATOM 0 HA ILE A 112 0.581 14.457 -18.412 1.00 51.24 H new ATOM 0 HB ILE A 112 2.564 15.977 -18.109 1.00 51.11 H new ATOM 0 HG12 ILE A 112 4.082 13.462 -18.866 1.00 4.02 H new ATOM 0 HG13 ILE A 112 4.091 14.992 -19.722 1.00 4.02 H new ATOM 0 HG21 ILE A 112 3.367 14.786 -16.094 1.00 45.31 H new ATOM 0 HG22 ILE A 112 1.599 14.669 -16.260 1.00 45.31 H new ATOM 0 HG23 ILE A 112 2.627 13.282 -16.693 1.00 45.31 H new ATOM 0 HD11 ILE A 112 6.132 14.714 -18.402 1.00 32.42 H new ATOM 0 HD12 ILE A 112 5.174 16.083 -17.788 1.00 32.42 H new ATOM 0 HD13 ILE A 112 5.165 14.529 -16.919 1.00 32.42 H new ATOM 1751 N LYS A 113 0.569 16.047 -20.381 1.00 64.23 N ATOM 1752 CA LYS A 113 0.284 16.701 -21.653 1.00 20.44 C ATOM 1753 C LYS A 113 1.273 17.829 -21.933 1.00 45.14 C ATOM 1754 O LYS A 113 1.754 17.983 -23.058 1.00 41.20 O ATOM 1755 CB LYS A 113 -1.156 17.226 -21.654 1.00 72.24 C ATOM 1756 CG LYS A 113 -1.623 17.762 -22.999 1.00 1.31 C ATOM 1757 CD LYS A 113 -3.144 17.791 -23.101 1.00 62.31 C ATOM 1758 CE LYS A 113 -3.778 18.676 -22.037 1.00 45.11 C ATOM 1759 NZ LYS A 113 -3.454 20.115 -22.231 1.00 4.42 N ATOM 0 H LYS A 113 0.082 16.446 -19.578 1.00 64.23 H new ATOM 0 HA LYS A 113 0.395 15.967 -22.451 1.00 20.44 H new ATOM 0 HB2 LYS A 113 -1.824 16.423 -21.344 1.00 72.24 H new ATOM 0 HB3 LYS A 113 -1.243 18.018 -20.910 1.00 72.24 H new ATOM 0 HG2 LYS A 113 -1.230 18.768 -23.145 1.00 1.31 H new ATOM 0 HG3 LYS A 113 -1.217 17.142 -23.798 1.00 1.31 H new ATOM 0 HD2 LYS A 113 -3.433 18.151 -24.089 1.00 62.31 H new ATOM 0 HD3 LYS A 113 -3.532 16.777 -23.005 1.00 62.31 H new ATOM 0 HE2 LYS A 113 -4.860 18.544 -22.056 1.00 45.11 H new ATOM 0 HE3 LYS A 113 -3.435 18.358 -21.052 1.00 45.11 H new ATOM 0 HZ1 LYS A 113 -3.587 20.625 -21.334 1.00 4.42 H new ATOM 0 HZ2 LYS A 113 -2.465 20.210 -22.540 1.00 4.42 H new ATOM 0 HZ3 LYS A 113 -4.083 20.518 -22.955 1.00 4.42 H new ATOM 1773 N GLU A 114 1.582 18.607 -20.907 1.00 32.31 N ATOM 1774 CA GLU A 114 2.485 19.742 -21.044 1.00 40.54 C ATOM 1775 C GLU A 114 3.851 19.418 -20.440 1.00 21.13 C ATOM 1776 O GLU A 114 4.681 18.767 -21.073 1.00 71.53 O ATOM 1777 CB GLU A 114 1.900 20.990 -20.365 1.00 72.21 C ATOM 1778 CG GLU A 114 0.898 21.768 -21.208 1.00 70.54 C ATOM 1779 CD GLU A 114 -0.382 21.007 -21.478 1.00 45.51 C ATOM 1780 OE1 GLU A 114 -0.964 20.446 -20.527 1.00 41.11 O ATOM 1781 OE2 GLU A 114 -0.819 20.975 -22.646 1.00 1.40 O ATOM 0 H GLU A 114 1.218 18.472 -19.964 1.00 32.31 H new ATOM 0 HA GLU A 114 2.607 19.946 -22.108 1.00 40.54 H new ATOM 0 HB2 GLU A 114 1.415 20.687 -19.437 1.00 72.21 H new ATOM 0 HB3 GLU A 114 2.719 21.656 -20.094 1.00 72.21 H new ATOM 0 HG2 GLU A 114 0.656 22.702 -20.701 1.00 70.54 H new ATOM 0 HG3 GLU A 114 1.362 22.032 -22.158 1.00 70.54 H new ATOM 1788 N ASP A 115 4.049 19.852 -19.200 1.00 10.14 N ATOM 1789 CA ASP A 115 5.313 19.686 -18.495 1.00 1.01 C ATOM 1790 C ASP A 115 5.027 19.557 -17.006 1.00 73.52 C ATOM 1791 O ASP A 115 4.062 20.140 -16.509 1.00 72.10 O ATOM 1792 CB ASP A 115 6.232 20.890 -18.763 1.00 54.24 C ATOM 1793 CG ASP A 115 7.474 20.906 -17.887 1.00 14.22 C ATOM 1794 OD1 ASP A 115 8.407 20.123 -18.156 1.00 32.30 O ATOM 1795 OD2 ASP A 115 7.524 21.710 -16.932 1.00 35.24 O ATOM 0 H ASP A 115 3.333 20.331 -18.654 1.00 10.14 H new ATOM 0 HA ASP A 115 5.820 18.788 -18.849 1.00 1.01 H new ATOM 0 HB2 ASP A 115 6.535 20.881 -19.810 1.00 54.24 H new ATOM 0 HB3 ASP A 115 5.670 21.810 -18.601 1.00 54.24 H new ATOM 1800 N THR A 116 5.832 18.780 -16.300 1.00 5.10 N ATOM 1801 CA THR A 116 5.634 18.599 -14.874 1.00 74.44 C ATOM 1802 C THR A 116 6.951 18.732 -14.124 1.00 2.42 C ATOM 1803 O THR A 116 7.952 18.101 -14.468 1.00 12.10 O ATOM 1804 CB THR A 116 4.978 17.239 -14.565 1.00 65.25 C ATOM 1805 OG1 THR A 116 3.819 17.076 -15.389 1.00 35.22 O ATOM 1806 CG2 THR A 116 4.568 17.144 -13.101 1.00 44.31 C ATOM 0 H THR A 116 6.624 18.268 -16.689 1.00 5.10 H new ATOM 0 HA THR A 116 4.958 19.384 -14.535 1.00 74.44 H new ATOM 0 HB THR A 116 5.705 16.453 -14.771 1.00 65.25 H new ATOM 0 HG1 THR A 116 3.102 16.660 -14.866 1.00 35.22 H new ATOM 0 HG21 THR A 116 4.108 16.173 -12.914 1.00 44.31 H new ATOM 0 HG22 THR A 116 5.449 17.256 -12.469 1.00 44.31 H new ATOM 0 HG23 THR A 116 3.853 17.934 -12.871 1.00 44.31 H new ATOM 1814 N GLU A 117 6.925 19.560 -13.100 1.00 51.53 N ATOM 1815 CA GLU A 117 8.102 19.836 -12.300 1.00 71.12 C ATOM 1816 C GLU A 117 8.109 18.963 -11.061 1.00 70.42 C ATOM 1817 O GLU A 117 7.086 18.362 -10.711 1.00 40.50 O ATOM 1818 CB GLU A 117 8.136 21.307 -11.893 1.00 10.45 C ATOM 1819 CG GLU A 117 8.306 22.255 -13.063 1.00 45.42 C ATOM 1820 CD GLU A 117 8.323 23.705 -12.637 1.00 33.12 C ATOM 1821 OE1 GLU A 117 9.404 24.215 -12.283 1.00 75.10 O ATOM 1822 OE2 GLU A 117 7.257 24.347 -12.655 1.00 15.43 O ATOM 0 H GLU A 117 6.089 20.060 -12.799 1.00 51.53 H new ATOM 0 HA GLU A 117 8.985 19.614 -12.899 1.00 71.12 H new ATOM 0 HB2 GLU A 117 7.212 21.552 -11.369 1.00 10.45 H new ATOM 0 HB3 GLU A 117 8.953 21.462 -11.189 1.00 10.45 H new ATOM 0 HG2 GLU A 117 9.235 22.022 -13.583 1.00 45.42 H new ATOM 0 HG3 GLU A 117 7.495 22.098 -13.774 1.00 45.42 H new ATOM 1829 N GLU A 118 9.256 18.906 -10.394 1.00 55.31 N ATOM 1830 CA GLU A 118 9.385 18.190 -9.133 1.00 14.35 C ATOM 1831 C GLU A 118 8.417 18.769 -8.113 1.00 12.24 C ATOM 1832 O GLU A 118 7.688 18.034 -7.458 1.00 74.34 O ATOM 1833 CB GLU A 118 10.835 18.287 -8.634 1.00 13.40 C ATOM 1834 CG GLU A 118 11.078 17.707 -7.246 1.00 52.13 C ATOM 1835 CD GLU A 118 11.208 18.773 -6.176 1.00 61.35 C ATOM 1836 OE1 GLU A 118 12.195 19.536 -6.207 1.00 54.24 O ATOM 1837 OE2 GLU A 118 10.332 18.848 -5.296 1.00 33.44 O ATOM 0 H GLU A 118 10.117 19.352 -10.711 1.00 55.31 H new ATOM 0 HA GLU A 118 9.139 17.138 -9.278 1.00 14.35 H new ATOM 0 HB2 GLU A 118 11.483 17.774 -9.344 1.00 13.40 H new ATOM 0 HB3 GLU A 118 11.133 19.335 -8.631 1.00 13.40 H new ATOM 0 HG2 GLU A 118 10.256 17.039 -6.988 1.00 52.13 H new ATOM 0 HG3 GLU A 118 11.986 17.104 -7.263 1.00 52.13 H new ATOM 1844 N HIS A 119 8.380 20.095 -8.041 1.00 1.14 N ATOM 1845 CA HIS A 119 7.534 20.814 -7.091 1.00 4.42 C ATOM 1846 C HIS A 119 6.058 20.455 -7.256 1.00 12.44 C ATOM 1847 O HIS A 119 5.316 20.424 -6.278 1.00 62.22 O ATOM 1848 CB HIS A 119 7.711 22.326 -7.267 1.00 40.41 C ATOM 1849 CG HIS A 119 9.119 22.805 -7.065 1.00 1.33 C ATOM 1850 ND1 HIS A 119 9.997 22.922 -8.119 1.00 24.51 N ATOM 1851 CD2 HIS A 119 9.743 23.177 -5.925 1.00 61.42 C ATOM 1852 CE1 HIS A 119 11.130 23.357 -7.591 1.00 31.12 C ATOM 1853 NE2 HIS A 119 11.022 23.525 -6.269 1.00 15.32 N ATOM 0 H HIS A 119 8.937 20.704 -8.640 1.00 1.14 H new ATOM 0 HA HIS A 119 7.845 20.516 -6.090 1.00 4.42 H new ATOM 0 HB2 HIS A 119 7.384 22.605 -8.268 1.00 40.41 H new ATOM 0 HB3 HIS A 119 7.058 22.842 -6.563 1.00 40.41 H new ATOM 0 HD2 HIS A 119 9.315 23.196 -4.934 1.00 61.42 H new ATOM 0 HE1 HIS A 119 12.029 23.552 -8.157 1.00 31.12 H new ATOM 0 HE2 HIS A 119 11.753 23.851 -5.637 1.00 15.32 H new ATOM 1861 N HIS A 120 5.645 20.170 -8.489 1.00 5.21 N ATOM 1862 CA HIS A 120 4.253 19.838 -8.777 1.00 2.30 C ATOM 1863 C HIS A 120 3.862 18.507 -8.149 1.00 50.14 C ATOM 1864 O HIS A 120 2.942 18.439 -7.327 1.00 52.31 O ATOM 1865 CB HIS A 120 4.003 19.771 -10.286 1.00 4.51 C ATOM 1866 CG HIS A 120 4.074 21.092 -10.985 1.00 10.22 C ATOM 1867 ND1 HIS A 120 4.518 21.189 -12.281 1.00 75.40 N ATOM 1868 CD2 HIS A 120 3.733 22.325 -10.540 1.00 30.14 C ATOM 1869 CE1 HIS A 120 4.440 22.471 -12.593 1.00 61.34 C ATOM 1870 NE2 HIS A 120 3.969 23.195 -11.570 1.00 12.32 N ATOM 0 H HIS A 120 6.256 20.163 -9.306 1.00 5.21 H new ATOM 0 HA HIS A 120 3.641 20.630 -8.346 1.00 2.30 H new ATOM 0 HB2 HIS A 120 4.734 19.098 -10.733 1.00 4.51 H new ATOM 0 HB3 HIS A 120 3.019 19.334 -10.460 1.00 4.51 H new ATOM 0 HD2 HIS A 120 3.349 22.574 -9.562 1.00 30.14 H new ATOM 0 HE1 HIS A 120 4.721 22.882 -13.551 1.00 61.34 H new ATOM 0 HE2 HIS A 120 3.815 24.203 -11.560 1.00 12.32 H new ATOM 1878 N LEU A 121 4.583 17.453 -8.502 1.00 2.33 N ATOM 1879 CA LEU A 121 4.173 16.120 -8.105 1.00 62.13 C ATOM 1880 C LEU A 121 4.654 15.789 -6.697 1.00 52.04 C ATOM 1881 O LEU A 121 4.043 14.982 -6.010 1.00 21.03 O ATOM 1882 CB LEU A 121 4.628 15.070 -9.128 1.00 11.31 C ATOM 1883 CG LEU A 121 6.070 15.181 -9.634 1.00 72.41 C ATOM 1884 CD1 LEU A 121 7.044 14.603 -8.627 1.00 60.34 C ATOM 1885 CD2 LEU A 121 6.208 14.467 -10.967 1.00 43.30 C ATOM 0 H LEU A 121 5.440 17.495 -9.053 1.00 2.33 H new ATOM 0 HA LEU A 121 3.083 16.098 -8.085 1.00 62.13 H new ATOM 0 HB2 LEU A 121 4.499 14.083 -8.683 1.00 11.31 H new ATOM 0 HB3 LEU A 121 3.961 15.122 -9.988 1.00 11.31 H new ATOM 0 HG LEU A 121 6.307 16.237 -9.767 1.00 72.41 H new ATOM 0 HD11 LEU A 121 8.060 14.694 -9.010 1.00 60.34 H new ATOM 0 HD12 LEU A 121 6.961 15.147 -7.686 1.00 60.34 H new ATOM 0 HD13 LEU A 121 6.812 13.551 -8.459 1.00 60.34 H new ATOM 0 HD21 LEU A 121 7.236 14.551 -11.320 1.00 43.30 H new ATOM 0 HD22 LEU A 121 5.951 13.415 -10.845 1.00 43.30 H new ATOM 0 HD23 LEU A 121 5.536 14.922 -11.695 1.00 43.30 H new ATOM 1897 N ARG A 122 5.728 16.440 -6.256 1.00 74.12 N ATOM 1898 CA ARG A 122 6.224 16.251 -4.900 1.00 33.10 C ATOM 1899 C ARG A 122 5.206 16.763 -3.902 1.00 32.20 C ATOM 1900 O ARG A 122 4.812 16.044 -2.994 1.00 51.23 O ATOM 1901 CB ARG A 122 7.561 16.965 -4.697 1.00 51.13 C ATOM 1902 CG ARG A 122 8.084 16.903 -3.268 1.00 24.15 C ATOM 1903 CD ARG A 122 7.884 18.225 -2.554 1.00 13.02 C ATOM 1904 NE ARG A 122 8.725 19.275 -3.128 1.00 72.52 N ATOM 1905 CZ ARG A 122 8.827 20.515 -2.653 1.00 70.23 C ATOM 1906 NH1 ARG A 122 8.137 20.892 -1.585 1.00 15.32 N ATOM 1907 NH2 ARG A 122 9.640 21.377 -3.248 1.00 12.40 N ATOM 0 H ARG A 122 6.268 17.099 -6.817 1.00 74.12 H new ATOM 0 HA ARG A 122 6.382 15.184 -4.741 1.00 33.10 H new ATOM 0 HB2 ARG A 122 8.302 16.524 -5.364 1.00 51.13 H new ATOM 0 HB3 ARG A 122 7.452 18.010 -4.988 1.00 51.13 H new ATOM 0 HG2 ARG A 122 7.570 16.111 -2.724 1.00 24.15 H new ATOM 0 HG3 ARG A 122 9.144 16.648 -3.276 1.00 24.15 H new ATOM 0 HD2 ARG A 122 6.837 18.520 -2.618 1.00 13.02 H new ATOM 0 HD3 ARG A 122 8.118 18.108 -1.496 1.00 13.02 H new ATOM 0 HE ARG A 122 9.275 19.040 -3.954 1.00 72.52 H new ATOM 0 HH11 ARG A 122 7.519 20.229 -1.117 1.00 15.32 H new ATOM 0 HH12 ARG A 122 8.224 21.845 -1.232 1.00 15.32 H new ATOM 0 HH21 ARG A 122 10.181 21.088 -4.063 1.00 12.40 H new ATOM 0 HH22 ARG A 122 9.724 22.329 -2.891 1.00 12.40 H new ATOM 1921 N ASP A 123 4.759 17.997 -4.104 1.00 34.00 N ATOM 1922 CA ASP A 123 3.787 18.623 -3.212 1.00 32.24 C ATOM 1923 C ASP A 123 2.471 17.852 -3.225 1.00 3.35 C ATOM 1924 O ASP A 123 1.740 17.831 -2.238 1.00 11.23 O ATOM 1925 CB ASP A 123 3.561 20.078 -3.626 1.00 3.22 C ATOM 1926 CG ASP A 123 2.651 20.829 -2.676 1.00 4.42 C ATOM 1927 OD1 ASP A 123 2.935 20.850 -1.462 1.00 64.13 O ATOM 1928 OD2 ASP A 123 1.648 21.406 -3.142 1.00 3.42 O ATOM 0 H ASP A 123 5.055 18.587 -4.881 1.00 34.00 H new ATOM 0 HA ASP A 123 4.181 18.603 -2.196 1.00 32.24 H new ATOM 0 HB2 ASP A 123 4.523 20.588 -3.679 1.00 3.22 H new ATOM 0 HB3 ASP A 123 3.131 20.103 -4.627 1.00 3.22 H new ATOM 1933 N TYR A 124 2.201 17.183 -4.335 1.00 73.13 N ATOM 1934 CA TYR A 124 0.993 16.408 -4.472 1.00 15.34 C ATOM 1935 C TYR A 124 1.113 15.033 -3.794 1.00 54.41 C ATOM 1936 O TYR A 124 0.278 14.667 -2.972 1.00 24.25 O ATOM 1937 CB TYR A 124 0.657 16.243 -5.944 1.00 44.53 C ATOM 1938 CG TYR A 124 -0.516 15.344 -6.163 1.00 62.02 C ATOM 1939 CD1 TYR A 124 -1.795 15.780 -5.874 1.00 10.35 C ATOM 1940 CD2 TYR A 124 -0.341 14.055 -6.624 1.00 23.54 C ATOM 1941 CE1 TYR A 124 -2.878 14.956 -6.046 1.00 51.32 C ATOM 1942 CE2 TYR A 124 -1.420 13.219 -6.797 1.00 64.44 C ATOM 1943 CZ TYR A 124 -2.690 13.681 -6.506 1.00 41.15 C ATOM 1944 OH TYR A 124 -3.778 12.865 -6.671 1.00 24.40 O ATOM 0 H TYR A 124 2.809 17.166 -5.153 1.00 73.13 H new ATOM 0 HA TYR A 124 0.189 16.947 -3.971 1.00 15.34 H new ATOM 0 HB2 TYR A 124 0.448 17.221 -6.378 1.00 44.53 H new ATOM 0 HB3 TYR A 124 1.523 15.840 -6.469 1.00 44.53 H new ATOM 0 HD1 TYR A 124 -1.944 16.785 -5.507 1.00 10.35 H new ATOM 0 HD2 TYR A 124 0.653 13.699 -6.851 1.00 23.54 H new ATOM 0 HE1 TYR A 124 -3.873 15.311 -5.820 1.00 51.32 H new ATOM 0 HE2 TYR A 124 -1.276 12.211 -7.157 1.00 64.44 H new ATOM 0 HH TYR A 124 -3.480 11.935 -6.748 1.00 24.40 H new ATOM 1954 N PHE A 125 2.144 14.273 -4.152 1.00 42.20 N ATOM 1955 CA PHE A 125 2.329 12.918 -3.628 1.00 53.40 C ATOM 1956 C PHE A 125 2.731 12.920 -2.149 1.00 54.21 C ATOM 1957 O PHE A 125 2.499 11.942 -1.445 1.00 43.22 O ATOM 1958 CB PHE A 125 3.380 12.161 -4.447 1.00 4.50 C ATOM 1959 CG PHE A 125 2.921 11.716 -5.813 1.00 34.21 C ATOM 1960 CD1 PHE A 125 1.863 10.828 -5.963 1.00 64.20 C ATOM 1961 CD2 PHE A 125 3.566 12.169 -6.946 1.00 54.03 C ATOM 1962 CE1 PHE A 125 1.461 10.409 -7.224 1.00 0.34 C ATOM 1963 CE2 PHE A 125 3.169 11.756 -8.202 1.00 32.34 C ATOM 1964 CZ PHE A 125 2.118 10.875 -8.340 1.00 4.45 C ATOM 0 H PHE A 125 2.868 14.572 -4.805 1.00 42.20 H new ATOM 0 HA PHE A 125 1.367 12.412 -3.713 1.00 53.40 H new ATOM 0 HB2 PHE A 125 4.256 12.798 -4.564 1.00 4.50 H new ATOM 0 HB3 PHE A 125 3.697 11.284 -3.883 1.00 4.50 H new ATOM 0 HD1 PHE A 125 1.347 10.459 -5.089 1.00 64.20 H new ATOM 0 HD2 PHE A 125 4.393 12.856 -6.849 1.00 54.03 H new ATOM 0 HE1 PHE A 125 0.636 9.720 -7.329 1.00 0.34 H new ATOM 0 HE2 PHE A 125 3.683 12.124 -9.078 1.00 32.34 H new ATOM 0 HZ PHE A 125 1.810 10.551 -9.323 1.00 4.45 H new ATOM 1974 N GLU A 126 3.305 14.027 -1.679 1.00 0.30 N ATOM 1975 CA GLU A 126 3.730 14.146 -0.277 1.00 2.10 C ATOM 1976 C GLU A 126 2.530 14.155 0.664 1.00 55.12 C ATOM 1977 O GLU A 126 2.662 13.895 1.862 1.00 71.32 O ATOM 1978 CB GLU A 126 4.567 15.407 -0.060 1.00 24.14 C ATOM 1979 CG GLU A 126 6.062 15.153 -0.032 1.00 42.25 C ATOM 1980 CD GLU A 126 6.854 16.391 0.324 1.00 41.55 C ATOM 1981 OE1 GLU A 126 6.316 17.508 0.190 1.00 24.43 O ATOM 1982 OE2 GLU A 126 8.016 16.255 0.750 1.00 40.42 O ATOM 0 H GLU A 126 3.488 14.856 -2.245 1.00 0.30 H new ATOM 0 HA GLU A 126 4.344 13.275 -0.050 1.00 2.10 H new ATOM 0 HB2 GLU A 126 4.344 16.121 -0.853 1.00 24.14 H new ATOM 0 HB3 GLU A 126 4.269 15.872 0.880 1.00 24.14 H new ATOM 0 HG2 GLU A 126 6.280 14.366 0.690 1.00 42.25 H new ATOM 0 HG3 GLU A 126 6.383 14.788 -1.008 1.00 42.25 H new ATOM 1989 N GLN A 127 1.366 14.479 0.114 1.00 52.14 N ATOM 1990 CA GLN A 127 0.106 14.394 0.845 1.00 71.23 C ATOM 1991 C GLN A 127 -0.218 12.949 1.232 1.00 32.53 C ATOM 1992 O GLN A 127 -1.017 12.703 2.135 1.00 14.35 O ATOM 1993 CB GLN A 127 -1.035 14.966 0.003 1.00 72.21 C ATOM 1994 CG GLN A 127 -0.778 16.373 -0.514 1.00 52.25 C ATOM 1995 CD GLN A 127 -1.950 16.924 -1.300 1.00 33.42 C ATOM 1996 OE1 GLN A 127 -2.834 17.575 -0.747 1.00 20.35 O ATOM 1997 NE2 GLN A 127 -1.966 16.659 -2.595 1.00 12.24 N ATOM 0 H GLN A 127 1.268 14.807 -0.847 1.00 52.14 H new ATOM 0 HA GLN A 127 0.214 14.979 1.758 1.00 71.23 H new ATOM 0 HB2 GLN A 127 -1.213 14.305 -0.845 1.00 72.21 H new ATOM 0 HB3 GLN A 127 -1.947 14.971 0.600 1.00 72.21 H new ATOM 0 HG2 GLN A 127 -0.566 17.033 0.327 1.00 52.25 H new ATOM 0 HG3 GLN A 127 0.110 16.368 -1.147 1.00 52.25 H new ATOM 0 HE21 GLN A 127 -1.212 16.115 -3.014 1.00 12.24 H new ATOM 0 HE22 GLN A 127 -2.733 16.999 -3.176 1.00 12.24 H new ATOM 2006 N TYR A 128 0.385 11.995 0.527 1.00 52.12 N ATOM 2007 CA TYR A 128 0.192 10.582 0.828 1.00 43.05 C ATOM 2008 C TYR A 128 1.246 10.064 1.807 1.00 64.02 C ATOM 2009 O TYR A 128 0.993 9.111 2.544 1.00 62.04 O ATOM 2010 CB TYR A 128 0.218 9.755 -0.457 1.00 33.34 C ATOM 2011 CG TYR A 128 -0.911 10.082 -1.407 1.00 11.52 C ATOM 2012 CD1 TYR A 128 -0.776 11.082 -2.362 1.00 23.32 C ATOM 2013 CD2 TYR A 128 -2.114 9.392 -1.347 1.00 33.14 C ATOM 2014 CE1 TYR A 128 -1.806 11.386 -3.229 1.00 35.24 C ATOM 2015 CE2 TYR A 128 -3.150 9.691 -2.210 1.00 23.53 C ATOM 2016 CZ TYR A 128 -2.991 10.688 -3.147 1.00 4.31 C ATOM 2017 OH TYR A 128 -4.024 10.994 -4.002 1.00 70.34 O ATOM 0 H TYR A 128 1.012 12.177 -0.257 1.00 52.12 H new ATOM 0 HA TYR A 128 -0.784 10.478 1.302 1.00 43.05 H new ATOM 0 HB2 TYR A 128 1.169 9.918 -0.965 1.00 33.34 H new ATOM 0 HB3 TYR A 128 0.171 8.697 -0.200 1.00 33.34 H new ATOM 0 HD1 TYR A 128 0.152 11.631 -2.427 1.00 23.32 H new ATOM 0 HD2 TYR A 128 -2.242 8.609 -0.614 1.00 33.14 H new ATOM 0 HE1 TYR A 128 -1.684 12.166 -3.966 1.00 35.24 H new ATOM 0 HE2 TYR A 128 -4.080 9.146 -2.150 1.00 23.53 H new ATOM 0 HH TYR A 128 -3.666 11.174 -4.896 1.00 70.34 H new ATOM 2027 N GLY A 129 2.426 10.679 1.799 1.00 1.23 N ATOM 2028 CA GLY A 129 3.473 10.282 2.729 1.00 24.31 C ATOM 2029 C GLY A 129 4.798 10.964 2.463 1.00 13.21 C ATOM 2030 O GLY A 129 4.876 11.884 1.649 1.00 51.22 O ATOM 0 H GLY A 129 2.676 11.441 1.169 1.00 1.23 H new ATOM 0 HA2 GLY A 129 3.152 10.510 3.746 1.00 24.31 H new ATOM 0 HA3 GLY A 129 3.610 9.202 2.672 1.00 24.31 H new ATOM 2034 N LYS A 130 5.840 10.518 3.162 1.00 13.30 N ATOM 2035 CA LYS A 130 7.172 11.096 3.017 1.00 42.10 C ATOM 2036 C LYS A 130 7.851 10.628 1.732 1.00 54.22 C ATOM 2037 O LYS A 130 7.914 9.430 1.446 1.00 65.44 O ATOM 2038 CB LYS A 130 8.053 10.740 4.223 1.00 34.21 C ATOM 2039 CG LYS A 130 9.510 11.146 4.042 1.00 44.45 C ATOM 2040 CD LYS A 130 10.390 10.679 5.185 1.00 74.20 C ATOM 2041 CE LYS A 130 11.855 10.899 4.853 1.00 60.51 C ATOM 2042 NZ LYS A 130 12.759 10.344 5.892 1.00 43.35 N ATOM 0 H LYS A 130 5.786 9.755 3.837 1.00 13.30 H new ATOM 0 HA LYS A 130 7.050 12.178 2.967 1.00 42.10 H new ATOM 0 HB2 LYS A 130 7.654 11.228 5.113 1.00 34.21 H new ATOM 0 HB3 LYS A 130 8.001 9.665 4.398 1.00 34.21 H new ATOM 0 HG2 LYS A 130 9.885 10.732 3.106 1.00 44.45 H new ATOM 0 HG3 LYS A 130 9.574 12.231 3.959 1.00 44.45 H new ATOM 0 HD2 LYS A 130 10.132 11.221 6.095 1.00 74.20 H new ATOM 0 HD3 LYS A 130 10.210 9.622 5.382 1.00 74.20 H new ATOM 0 HE2 LYS A 130 12.081 10.435 3.893 1.00 60.51 H new ATOM 0 HE3 LYS A 130 12.044 11.967 4.743 1.00 60.51 H new ATOM 0 HZ1 LYS A 130 13.748 10.519 5.621 1.00 43.35 H new ATOM 0 HZ2 LYS A 130 12.564 10.804 6.804 1.00 43.35 H new ATOM 0 HZ3 LYS A 130 12.600 9.320 5.980 1.00 43.35 H new ATOM 2056 N ILE A 131 8.379 11.583 0.982 1.00 25.53 N ATOM 2057 CA ILE A 131 9.117 11.293 -0.230 1.00 44.21 C ATOM 2058 C ILE A 131 10.621 11.392 0.042 1.00 71.22 C ATOM 2059 O ILE A 131 11.069 12.266 0.784 1.00 2.41 O ATOM 2060 CB ILE A 131 8.714 12.258 -1.375 1.00 11.32 C ATOM 2061 CG1 ILE A 131 7.226 12.096 -1.704 1.00 42.22 C ATOM 2062 CG2 ILE A 131 9.562 12.011 -2.614 1.00 55.41 C ATOM 2063 CD1 ILE A 131 6.751 12.965 -2.851 1.00 2.31 C ATOM 0 H ILE A 131 8.306 12.577 1.199 1.00 25.53 H new ATOM 0 HA ILE A 131 8.874 10.278 -0.546 1.00 44.21 H new ATOM 0 HB ILE A 131 8.891 13.281 -1.041 1.00 11.32 H new ATOM 0 HG12 ILE A 131 7.030 11.052 -1.947 1.00 42.22 H new ATOM 0 HG13 ILE A 131 6.640 12.332 -0.816 1.00 42.22 H new ATOM 0 HG21 ILE A 131 9.261 12.699 -3.404 1.00 55.41 H new ATOM 0 HG22 ILE A 131 10.613 12.171 -2.373 1.00 55.41 H new ATOM 0 HG23 ILE A 131 9.420 10.985 -2.954 1.00 55.41 H new ATOM 0 HD11 ILE A 131 5.688 12.793 -3.022 1.00 2.31 H new ATOM 0 HD12 ILE A 131 6.913 14.014 -2.604 1.00 2.31 H new ATOM 0 HD13 ILE A 131 7.309 12.714 -3.753 1.00 2.31 H new ATOM 2075 N GLU A 132 11.382 10.479 -0.546 1.00 70.33 N ATOM 2076 CA GLU A 132 12.834 10.482 -0.410 1.00 3.21 C ATOM 2077 C GLU A 132 13.460 11.367 -1.473 1.00 0.45 C ATOM 2078 O GLU A 132 14.286 12.231 -1.176 1.00 4.03 O ATOM 2079 CB GLU A 132 13.410 9.078 -0.555 1.00 60.02 C ATOM 2080 CG GLU A 132 12.864 8.074 0.435 1.00 40.35 C ATOM 2081 CD GLU A 132 13.657 6.788 0.420 1.00 31.24 C ATOM 2082 OE1 GLU A 132 13.343 5.903 -0.393 1.00 32.12 O ATOM 2083 OE2 GLU A 132 14.608 6.656 1.211 1.00 1.23 O ATOM 0 H GLU A 132 11.017 9.723 -1.125 1.00 70.33 H new ATOM 0 HA GLU A 132 13.064 10.863 0.585 1.00 3.21 H new ATOM 0 HB2 GLU A 132 13.211 8.719 -1.565 1.00 60.02 H new ATOM 0 HB3 GLU A 132 14.493 9.129 -0.442 1.00 60.02 H new ATOM 0 HG2 GLU A 132 12.884 8.503 1.437 1.00 40.35 H new ATOM 0 HG3 GLU A 132 11.821 7.861 0.200 1.00 40.35 H new ATOM 2090 N VAL A 133 13.059 11.141 -2.713 1.00 4.55 N ATOM 2091 CA VAL A 133 13.623 11.853 -3.842 1.00 41.34 C ATOM 2092 C VAL A 133 12.643 11.800 -5.015 1.00 4.02 C ATOM 2093 O VAL A 133 11.758 10.941 -5.060 1.00 63.14 O ATOM 2094 CB VAL A 133 15.009 11.265 -4.248 1.00 2.53 C ATOM 2095 CG1 VAL A 133 14.871 9.938 -4.979 1.00 63.41 C ATOM 2096 CG2 VAL A 133 15.807 12.258 -5.081 1.00 45.45 C ATOM 0 H VAL A 133 12.338 10.463 -2.962 1.00 4.55 H new ATOM 0 HA VAL A 133 13.785 12.892 -3.556 1.00 41.34 H new ATOM 0 HB VAL A 133 15.557 11.076 -3.325 1.00 2.53 H new ATOM 0 HG11 VAL A 133 15.860 9.564 -5.244 1.00 63.41 H new ATOM 0 HG12 VAL A 133 14.371 9.217 -4.333 1.00 63.41 H new ATOM 0 HG13 VAL A 133 14.283 10.081 -5.886 1.00 63.41 H new ATOM 0 HG21 VAL A 133 16.768 11.819 -5.348 1.00 45.45 H new ATOM 0 HG22 VAL A 133 15.253 12.500 -5.988 1.00 45.45 H new ATOM 0 HG23 VAL A 133 15.972 13.168 -4.504 1.00 45.45 H new ATOM 2106 N ILE A 134 12.784 12.729 -5.940 1.00 22.31 N ATOM 2107 CA ILE A 134 11.917 12.784 -7.097 1.00 70.43 C ATOM 2108 C ILE A 134 12.728 12.564 -8.359 1.00 71.45 C ATOM 2109 O ILE A 134 13.757 13.204 -8.576 1.00 73.34 O ATOM 2110 CB ILE A 134 11.142 14.121 -7.188 1.00 72.11 C ATOM 2111 CG1 ILE A 134 10.019 14.173 -6.145 1.00 70.33 C ATOM 2112 CG2 ILE A 134 10.563 14.334 -8.579 1.00 23.33 C ATOM 2113 CD1 ILE A 134 10.455 14.694 -4.793 1.00 41.43 C ATOM 0 H ILE A 134 13.496 13.459 -5.911 1.00 22.31 H new ATOM 0 HA ILE A 134 11.178 11.990 -6.990 1.00 70.43 H new ATOM 0 HB ILE A 134 11.853 14.922 -6.985 1.00 72.11 H new ATOM 0 HG12 ILE A 134 9.215 14.804 -6.524 1.00 70.33 H new ATOM 0 HG13 ILE A 134 9.606 13.172 -6.021 1.00 70.33 H new ATOM 0 HG21 ILE A 134 10.025 15.282 -8.608 1.00 23.33 H new ATOM 0 HG22 ILE A 134 11.371 14.353 -9.310 1.00 23.33 H new ATOM 0 HG23 ILE A 134 9.877 13.520 -8.816 1.00 23.33 H new ATOM 0 HD11 ILE A 134 9.603 14.699 -4.113 1.00 41.43 H new ATOM 0 HD12 ILE A 134 11.237 14.050 -4.390 1.00 41.43 H new ATOM 0 HD13 ILE A 134 10.839 15.708 -4.901 1.00 41.43 H new ATOM 2125 N GLU A 135 12.263 11.641 -9.171 1.00 21.21 N ATOM 2126 CA GLU A 135 12.912 11.308 -10.417 1.00 31.23 C ATOM 2127 C GLU A 135 12.141 11.901 -11.596 1.00 44.42 C ATOM 2128 O GLU A 135 11.093 11.400 -11.971 1.00 43.22 O ATOM 2129 CB GLU A 135 12.962 9.784 -10.539 1.00 21.25 C ATOM 2130 CG GLU A 135 14.021 9.125 -9.676 1.00 45.23 C ATOM 2131 CD GLU A 135 14.132 7.637 -9.935 1.00 3.05 C ATOM 2132 OE1 GLU A 135 14.721 7.256 -10.965 1.00 43.21 O ATOM 2133 OE2 GLU A 135 13.640 6.841 -9.109 1.00 41.31 O ATOM 0 H GLU A 135 11.420 11.098 -8.984 1.00 21.21 H new ATOM 0 HA GLU A 135 13.920 11.721 -10.430 1.00 31.23 H new ATOM 0 HB2 GLU A 135 11.987 9.377 -10.272 1.00 21.25 H new ATOM 0 HB3 GLU A 135 13.143 9.520 -11.581 1.00 21.25 H new ATOM 0 HG2 GLU A 135 14.985 9.597 -9.865 1.00 45.23 H new ATOM 0 HG3 GLU A 135 13.785 9.292 -8.625 1.00 45.23 H new ATOM 2140 N ILE A 136 12.649 12.966 -12.186 1.00 40.25 N ATOM 2141 CA ILE A 136 12.026 13.512 -13.384 1.00 74.05 C ATOM 2142 C ILE A 136 12.758 12.969 -14.595 1.00 2.44 C ATOM 2143 O ILE A 136 13.948 13.221 -14.770 1.00 3.32 O ATOM 2144 CB ILE A 136 12.045 15.061 -13.418 1.00 22.24 C ATOM 2145 CG1 ILE A 136 11.457 15.652 -12.127 1.00 72.24 C ATOM 2146 CG2 ILE A 136 11.276 15.575 -14.635 1.00 64.43 C ATOM 2147 CD1 ILE A 136 9.969 15.418 -11.954 1.00 54.53 C ATOM 0 H ILE A 136 13.478 13.466 -11.865 1.00 40.25 H new ATOM 0 HA ILE A 136 10.979 13.210 -13.386 1.00 74.05 H new ATOM 0 HB ILE A 136 13.083 15.383 -13.494 1.00 22.24 H new ATOM 0 HG12 ILE A 136 11.982 15.223 -11.273 1.00 72.24 H new ATOM 0 HG13 ILE A 136 11.648 16.725 -12.113 1.00 72.24 H new ATOM 0 HG21 ILE A 136 11.298 16.665 -14.646 1.00 64.43 H new ATOM 0 HG22 ILE A 136 11.739 15.194 -15.545 1.00 64.43 H new ATOM 0 HG23 ILE A 136 10.242 15.233 -14.583 1.00 64.43 H new ATOM 0 HD11 ILE A 136 9.636 15.867 -11.018 1.00 54.53 H new ATOM 0 HD12 ILE A 136 9.430 15.872 -12.786 1.00 54.53 H new ATOM 0 HD13 ILE A 136 9.769 14.347 -11.933 1.00 54.53 H new ATOM 2159 N MET A 137 12.062 12.212 -15.421 1.00 30.04 N ATOM 2160 CA MET A 137 12.712 11.513 -16.515 1.00 51.34 C ATOM 2161 C MET A 137 12.787 12.401 -17.742 1.00 2.23 C ATOM 2162 O MET A 137 11.822 13.090 -18.082 1.00 73.31 O ATOM 2163 CB MET A 137 11.974 10.216 -16.841 1.00 14.15 C ATOM 2164 CG MET A 137 11.675 9.361 -15.618 1.00 13.23 C ATOM 2165 SD MET A 137 13.135 9.026 -14.611 1.00 65.11 S ATOM 2166 CE MET A 137 14.109 8.034 -15.739 1.00 75.01 C ATOM 0 H MET A 137 11.055 12.065 -15.358 1.00 30.04 H new ATOM 0 HA MET A 137 13.727 11.262 -16.205 1.00 51.34 H new ATOM 0 HB2 MET A 137 11.037 10.457 -17.343 1.00 14.15 H new ATOM 0 HB3 MET A 137 12.571 9.635 -17.543 1.00 14.15 H new ATOM 0 HG2 MET A 137 10.927 9.864 -15.005 1.00 13.23 H new ATOM 0 HG3 MET A 137 11.240 8.415 -15.941 1.00 13.23 H new ATOM 0 HE1 MET A 137 14.966 7.617 -15.210 1.00 75.01 H new ATOM 0 HE2 MET A 137 13.496 7.223 -16.133 1.00 75.01 H new ATOM 0 HE3 MET A 137 14.459 8.657 -16.562 1.00 75.01 H new ATOM 2176 N THR A 138 13.939 12.409 -18.384 1.00 35.03 N ATOM 2177 CA THR A 138 14.144 13.236 -19.551 1.00 24.33 C ATOM 2178 C THR A 138 13.755 12.494 -20.826 1.00 4.00 C ATOM 2179 O THR A 138 13.776 11.264 -20.884 1.00 45.45 O ATOM 2180 CB THR A 138 15.614 13.687 -19.642 1.00 53.41 C ATOM 2181 OG1 THR A 138 16.129 13.922 -18.322 1.00 11.45 O ATOM 2182 CG2 THR A 138 15.763 14.957 -20.468 1.00 31.45 C ATOM 0 H THR A 138 14.748 11.849 -18.114 1.00 35.03 H new ATOM 0 HA THR A 138 13.505 14.114 -19.451 1.00 24.33 H new ATOM 0 HB THR A 138 16.175 12.892 -20.133 1.00 53.41 H new ATOM 0 HG1 THR A 138 17.065 14.207 -18.382 1.00 11.45 H new ATOM 0 HG21 THR A 138 16.814 15.243 -20.509 1.00 31.45 H new ATOM 0 HG22 THR A 138 15.396 14.779 -21.479 1.00 31.45 H new ATOM 0 HG23 THR A 138 15.186 15.760 -20.009 1.00 31.45 H new ATOM 2319 N GLY A 147 7.387 13.745 -20.471 1.00 54.02 N ATOM 2320 CA GLY A 147 6.890 12.462 -20.913 1.00 54.54 C ATOM 2321 C GLY A 147 6.451 11.584 -19.767 1.00 42.10 C ATOM 2322 O GLY A 147 5.367 10.992 -19.813 1.00 51.42 O ATOM 0 HA2 GLY A 147 6.050 12.616 -21.591 1.00 54.54 H new ATOM 0 HA3 GLY A 147 7.668 11.951 -21.480 1.00 54.54 H new ATOM 2326 N PHE A 148 7.255 11.540 -18.709 1.00 51.44 N ATOM 2327 CA PHE A 148 6.941 10.740 -17.536 1.00 2.11 C ATOM 2328 C PHE A 148 7.925 11.045 -16.414 1.00 40.34 C ATOM 2329 O PHE A 148 9.001 11.601 -16.646 1.00 53.01 O ATOM 2330 CB PHE A 148 6.945 9.228 -17.862 1.00 54.21 C ATOM 2331 CG PHE A 148 8.251 8.682 -18.384 1.00 13.24 C ATOM 2332 CD1 PHE A 148 8.705 9.010 -19.654 1.00 13.31 C ATOM 2333 CD2 PHE A 148 9.018 7.828 -17.609 1.00 43.04 C ATOM 2334 CE1 PHE A 148 9.894 8.504 -20.136 1.00 74.31 C ATOM 2335 CE2 PHE A 148 10.208 7.316 -18.090 1.00 44.21 C ATOM 2336 CZ PHE A 148 10.645 7.656 -19.353 1.00 64.43 C ATOM 0 H PHE A 148 8.134 12.054 -18.643 1.00 51.44 H new ATOM 0 HA PHE A 148 5.935 11.004 -17.209 1.00 2.11 H new ATOM 0 HB2 PHE A 148 6.676 8.678 -16.960 1.00 54.21 H new ATOM 0 HB3 PHE A 148 6.167 9.031 -18.600 1.00 54.21 H new ATOM 0 HD1 PHE A 148 8.118 9.671 -20.274 1.00 13.31 H new ATOM 0 HD2 PHE A 148 8.682 7.559 -16.618 1.00 43.04 H new ATOM 0 HE1 PHE A 148 10.235 8.772 -21.125 1.00 74.31 H new ATOM 0 HE2 PHE A 148 10.796 6.649 -17.477 1.00 44.21 H new ATOM 0 HZ PHE A 148 11.576 7.257 -19.728 1.00 64.43 H new ATOM 2346 N ALA A 149 7.539 10.686 -15.205 1.00 3.22 N ATOM 2347 CA ALA A 149 8.350 10.897 -14.029 1.00 25.10 C ATOM 2348 C ALA A 149 8.245 9.696 -13.096 1.00 2.34 C ATOM 2349 O ALA A 149 7.458 8.774 -13.327 1.00 35.32 O ATOM 2350 CB ALA A 149 7.920 12.172 -13.312 1.00 21.23 C ATOM 0 H ALA A 149 6.644 10.235 -15.013 1.00 3.22 H new ATOM 0 HA ALA A 149 9.390 11.008 -14.334 1.00 25.10 H new ATOM 0 HB1 ALA A 149 8.540 12.319 -12.427 1.00 21.23 H new ATOM 0 HB2 ALA A 149 8.037 13.024 -13.982 1.00 21.23 H new ATOM 0 HB3 ALA A 149 6.875 12.087 -13.013 1.00 21.23 H new ATOM 2356 N PHE A 150 9.054 9.719 -12.060 1.00 11.01 N ATOM 2357 CA PHE A 150 9.058 8.695 -11.038 1.00 73.31 C ATOM 2358 C PHE A 150 9.169 9.349 -9.670 1.00 53.22 C ATOM 2359 O PHE A 150 9.807 10.387 -9.517 1.00 62.14 O ATOM 2360 CB PHE A 150 10.224 7.726 -11.245 1.00 43.54 C ATOM 2361 CG PHE A 150 9.987 6.686 -12.297 1.00 42.31 C ATOM 2362 CD1 PHE A 150 9.231 5.564 -12.020 1.00 52.42 C ATOM 2363 CD2 PHE A 150 10.526 6.829 -13.562 1.00 54.10 C ATOM 2364 CE1 PHE A 150 9.016 4.603 -12.985 1.00 31.03 C ATOM 2365 CE2 PHE A 150 10.317 5.873 -14.532 1.00 61.22 C ATOM 2366 CZ PHE A 150 9.560 4.757 -14.243 1.00 3.00 C ATOM 0 H PHE A 150 9.737 10.460 -11.901 1.00 11.01 H new ATOM 0 HA PHE A 150 8.128 8.131 -11.103 1.00 73.31 H new ATOM 0 HB2 PHE A 150 11.113 8.298 -11.511 1.00 43.54 H new ATOM 0 HB3 PHE A 150 10.437 7.227 -10.300 1.00 43.54 H new ATOM 0 HD1 PHE A 150 8.803 5.438 -11.036 1.00 52.42 H new ATOM 0 HD2 PHE A 150 11.119 7.702 -13.793 1.00 54.10 H new ATOM 0 HE1 PHE A 150 8.422 3.730 -12.756 1.00 31.03 H new ATOM 0 HE2 PHE A 150 10.745 5.997 -15.516 1.00 61.22 H new ATOM 0 HZ PHE A 150 9.394 4.005 -15.000 1.00 3.00 H new ATOM 2376 N VAL A 151 8.526 8.764 -8.686 1.00 60.30 N ATOM 2377 CA VAL A 151 8.543 9.315 -7.337 1.00 75.31 C ATOM 2378 C VAL A 151 8.944 8.253 -6.322 1.00 63.35 C ATOM 2379 O VAL A 151 8.345 7.176 -6.259 1.00 5.20 O ATOM 2380 CB VAL A 151 7.177 9.934 -6.951 1.00 44.14 C ATOM 2381 CG1 VAL A 151 7.223 10.533 -5.554 1.00 22.01 C ATOM 2382 CG2 VAL A 151 6.764 10.989 -7.962 1.00 63.11 C ATOM 0 H VAL A 151 7.983 7.907 -8.787 1.00 60.30 H new ATOM 0 HA VAL A 151 9.286 10.112 -7.325 1.00 75.31 H new ATOM 0 HB VAL A 151 6.435 9.136 -6.955 1.00 44.14 H new ATOM 0 HG11 VAL A 151 6.251 10.960 -5.309 1.00 22.01 H new ATOM 0 HG12 VAL A 151 7.469 9.754 -4.832 1.00 22.01 H new ATOM 0 HG13 VAL A 151 7.982 11.314 -5.518 1.00 22.01 H new ATOM 0 HG21 VAL A 151 5.802 11.412 -7.674 1.00 63.11 H new ATOM 0 HG22 VAL A 151 7.514 11.779 -7.990 1.00 63.11 H new ATOM 0 HG23 VAL A 151 6.679 10.534 -8.949 1.00 63.11 H new ATOM 2392 N THR A 152 9.966 8.569 -5.542 1.00 34.13 N ATOM 2393 CA THR A 152 10.526 7.647 -4.570 1.00 72.02 C ATOM 2394 C THR A 152 10.040 7.977 -3.156 1.00 54.11 C ATOM 2395 O THR A 152 10.295 9.064 -2.648 1.00 12.13 O ATOM 2396 CB THR A 152 12.061 7.722 -4.611 1.00 73.03 C ATOM 2397 OG1 THR A 152 12.532 7.416 -5.926 1.00 71.32 O ATOM 2398 CG2 THR A 152 12.689 6.778 -3.606 1.00 64.13 C ATOM 0 H THR A 152 10.431 9.476 -5.567 1.00 34.13 H new ATOM 0 HA THR A 152 10.195 6.640 -4.825 1.00 72.02 H new ATOM 0 HB THR A 152 12.353 8.739 -4.347 1.00 73.03 H new ATOM 0 HG1 THR A 152 13.510 7.468 -5.943 1.00 71.32 H new ATOM 0 HG21 THR A 152 13.775 6.857 -3.662 1.00 64.13 H new ATOM 0 HG22 THR A 152 12.357 7.042 -2.602 1.00 64.13 H new ATOM 0 HG23 THR A 152 12.387 5.755 -3.830 1.00 64.13 H new ATOM 2406 N PHE A 153 9.365 7.031 -2.523 1.00 21.41 N ATOM 2407 CA PHE A 153 8.802 7.235 -1.193 1.00 3.35 C ATOM 2408 C PHE A 153 9.625 6.539 -0.120 1.00 52.34 C ATOM 2409 O PHE A 153 10.313 5.559 -0.388 1.00 61.45 O ATOM 2410 CB PHE A 153 7.373 6.707 -1.140 1.00 42.43 C ATOM 2411 CG PHE A 153 6.338 7.740 -1.452 1.00 44.41 C ATOM 2412 CD1 PHE A 153 6.029 8.065 -2.761 1.00 70.11 C ATOM 2413 CD2 PHE A 153 5.665 8.379 -0.429 1.00 63.11 C ATOM 2414 CE1 PHE A 153 5.066 9.013 -3.039 1.00 11.30 C ATOM 2415 CE2 PHE A 153 4.706 9.325 -0.700 1.00 43.41 C ATOM 2416 CZ PHE A 153 4.404 9.642 -2.004 1.00 43.35 C ATOM 0 H PHE A 153 9.191 6.104 -2.912 1.00 21.41 H new ATOM 0 HA PHE A 153 8.814 8.307 -0.998 1.00 3.35 H new ATOM 0 HB2 PHE A 153 7.274 5.882 -1.845 1.00 42.43 H new ATOM 0 HB3 PHE A 153 7.181 6.302 -0.146 1.00 42.43 H new ATOM 0 HD1 PHE A 153 6.546 7.573 -3.572 1.00 70.11 H new ATOM 0 HD2 PHE A 153 5.895 8.132 0.597 1.00 63.11 H new ATOM 0 HE1 PHE A 153 4.831 9.262 -4.063 1.00 11.30 H new ATOM 0 HE2 PHE A 153 4.190 9.819 0.110 1.00 43.41 H new ATOM 0 HZ PHE A 153 3.648 10.383 -2.218 1.00 43.35 H new ATOM 2426 N ASP A 154 9.527 7.053 1.101 1.00 61.34 N ATOM 2427 CA ASP A 154 10.218 6.469 2.251 1.00 25.04 C ATOM 2428 C ASP A 154 9.436 5.274 2.798 1.00 34.04 C ATOM 2429 O ASP A 154 9.980 4.426 3.512 1.00 13.42 O ATOM 2430 CB ASP A 154 10.395 7.538 3.342 1.00 1.14 C ATOM 2431 CG ASP A 154 11.165 7.050 4.561 1.00 32.12 C ATOM 2432 OD1 ASP A 154 12.411 7.009 4.513 1.00 30.32 O ATOM 2433 OD2 ASP A 154 10.526 6.742 5.586 1.00 21.55 O ATOM 0 H ASP A 154 8.972 7.879 1.324 1.00 61.34 H new ATOM 0 HA ASP A 154 11.199 6.116 1.933 1.00 25.04 H new ATOM 0 HB2 ASP A 154 10.914 8.396 2.916 1.00 1.14 H new ATOM 0 HB3 ASP A 154 9.412 7.886 3.660 1.00 1.14 H new ATOM 2438 N ASP A 155 8.158 5.198 2.440 1.00 54.13 N ATOM 2439 CA ASP A 155 7.289 4.135 2.932 1.00 15.34 C ATOM 2440 C ASP A 155 6.464 3.527 1.797 1.00 11.22 C ATOM 2441 O ASP A 155 6.168 4.200 0.810 1.00 2.32 O ATOM 2442 CB ASP A 155 6.370 4.674 4.026 1.00 40.21 C ATOM 2443 CG ASP A 155 5.728 3.565 4.822 1.00 21.52 C ATOM 2444 OD1 ASP A 155 6.333 3.109 5.813 1.00 33.32 O ATOM 2445 OD2 ASP A 155 4.624 3.134 4.460 1.00 1.03 O ATOM 0 H ASP A 155 7.702 5.859 1.812 1.00 54.13 H new ATOM 0 HA ASP A 155 7.917 3.348 3.350 1.00 15.34 H new ATOM 0 HB2 ASP A 155 6.942 5.317 4.696 1.00 40.21 H new ATOM 0 HB3 ASP A 155 5.594 5.293 3.575 1.00 40.21 H new ATOM 2450 N HIS A 156 6.098 2.249 1.941 1.00 53.33 N ATOM 2451 CA HIS A 156 5.394 1.523 0.880 1.00 40.31 C ATOM 2452 C HIS A 156 3.897 1.809 0.913 1.00 75.13 C ATOM 2453 O HIS A 156 3.228 1.775 -0.121 1.00 62.24 O ATOM 2454 CB HIS A 156 5.647 -0.002 0.974 1.00 34.43 C ATOM 2455 CG HIS A 156 5.078 -0.677 2.200 1.00 42.40 C ATOM 2456 ND1 HIS A 156 5.709 -1.107 3.316 1.00 32.44 N flip ATOM 2457 CD2 HIS A 156 3.736 -0.941 2.323 1.00 53.11 C flip ATOM 2458 CE1 HIS A 156 4.751 -1.632 4.138 1.00 51.33 C flip ATOM 2459 NE2 HIS A 156 3.584 -1.510 3.503 1.00 30.42 N flip ATOM 0 H HIS A 156 6.277 1.697 2.780 1.00 53.33 H new ATOM 0 HA HIS A 156 5.793 1.879 -0.070 1.00 40.31 H new ATOM 0 HB2 HIS A 156 5.226 -0.479 0.089 1.00 34.43 H new ATOM 0 HB3 HIS A 156 6.723 -0.177 0.949 1.00 34.43 H new ATOM 0 HD1 HIS A 156 6.709 -1.050 3.508 1.00 32.44 H new ATOM 0 HD2 HIS A 156 2.963 -0.726 1.600 1.00 53.11 H new ATOM 0 HE1 HIS A 156 4.909 -2.063 5.115 1.00 51.33 H new ATOM 2467 N ASP A 157 3.389 2.119 2.102 1.00 1.33 N ATOM 2468 CA ASP A 157 1.956 2.288 2.315 1.00 11.11 C ATOM 2469 C ASP A 157 1.451 3.523 1.592 1.00 44.24 C ATOM 2470 O ASP A 157 0.347 3.526 1.053 1.00 4.33 O ATOM 2471 CB ASP A 157 1.649 2.376 3.814 1.00 1.41 C ATOM 2472 CG ASP A 157 0.203 2.701 4.114 1.00 50.51 C ATOM 2473 OD1 ASP A 157 -0.680 1.878 3.809 1.00 30.22 O ATOM 2474 OD2 ASP A 157 -0.058 3.784 4.672 1.00 52.24 O ATOM 0 H ASP A 157 3.955 2.259 2.939 1.00 1.33 H new ATOM 0 HA ASP A 157 1.439 1.420 1.906 1.00 11.11 H new ATOM 0 HB2 ASP A 157 1.906 1.428 4.286 1.00 1.41 H new ATOM 0 HB3 ASP A 157 2.286 3.138 4.263 1.00 1.41 H new ATOM 2479 N SER A 158 2.285 4.556 1.547 1.00 2.41 N ATOM 2480 CA SER A 158 1.947 5.787 0.852 1.00 4.21 C ATOM 2481 C SER A 158 1.876 5.557 -0.657 1.00 13.04 C ATOM 2482 O SER A 158 1.026 6.130 -1.342 1.00 60.15 O ATOM 2483 CB SER A 158 2.987 6.851 1.179 1.00 21.52 C ATOM 2484 OG SER A 158 3.293 6.847 2.564 1.00 52.35 O ATOM 0 H SER A 158 3.205 4.562 1.987 1.00 2.41 H new ATOM 0 HA SER A 158 0.966 6.125 1.185 1.00 4.21 H new ATOM 0 HB2 SER A 158 3.893 6.670 0.601 1.00 21.52 H new ATOM 0 HB3 SER A 158 2.614 7.833 0.887 1.00 21.52 H new ATOM 0 HG SER A 158 4.256 6.980 2.687 1.00 52.35 H new ATOM 2490 N VAL A 159 2.731 4.663 -1.153 1.00 41.14 N ATOM 2491 CA VAL A 159 2.780 4.350 -2.570 1.00 62.22 C ATOM 2492 C VAL A 159 1.553 3.544 -2.955 1.00 62.33 C ATOM 2493 O VAL A 159 0.963 3.749 -4.017 1.00 51.02 O ATOM 2494 CB VAL A 159 4.082 3.579 -2.912 1.00 23.20 C ATOM 2495 CG1 VAL A 159 3.910 2.624 -4.090 1.00 44.14 C ATOM 2496 CG2 VAL A 159 5.190 4.572 -3.197 1.00 70.24 C ATOM 0 H VAL A 159 3.401 4.143 -0.586 1.00 41.14 H new ATOM 0 HA VAL A 159 2.783 5.277 -3.143 1.00 62.22 H new ATOM 0 HB VAL A 159 4.339 2.965 -2.049 1.00 23.20 H new ATOM 0 HG11 VAL A 159 4.853 2.112 -4.284 1.00 44.14 H new ATOM 0 HG12 VAL A 159 3.140 1.889 -3.854 1.00 44.14 H new ATOM 0 HG13 VAL A 159 3.614 3.187 -4.975 1.00 44.14 H new ATOM 0 HG21 VAL A 159 6.107 4.035 -3.438 1.00 70.24 H new ATOM 0 HG22 VAL A 159 4.906 5.202 -4.040 1.00 70.24 H new ATOM 0 HG23 VAL A 159 5.355 5.195 -2.318 1.00 70.24 H new ATOM 2506 N ASP A 160 1.162 2.655 -2.058 1.00 11.33 N ATOM 2507 CA ASP A 160 0.000 1.817 -2.274 1.00 35.34 C ATOM 2508 C ASP A 160 -1.281 2.653 -2.305 1.00 72.34 C ATOM 2509 O ASP A 160 -2.182 2.374 -3.092 1.00 55.22 O ATOM 2510 CB ASP A 160 -0.083 0.732 -1.214 1.00 12.44 C ATOM 2511 CG ASP A 160 -0.871 -0.459 -1.707 1.00 30.33 C ATOM 2512 OD1 ASP A 160 -0.262 -1.356 -2.328 1.00 24.41 O ATOM 2513 OD2 ASP A 160 -2.095 -0.485 -1.500 1.00 2.23 O ATOM 0 H ASP A 160 1.637 2.496 -1.169 1.00 11.33 H new ATOM 0 HA ASP A 160 0.106 1.334 -3.246 1.00 35.34 H new ATOM 0 HB2 ASP A 160 0.922 0.415 -0.935 1.00 12.44 H new ATOM 0 HB3 ASP A 160 -0.551 1.134 -0.315 1.00 12.44 H new ATOM 2518 N LYS A 161 -1.336 3.708 -1.478 1.00 54.20 N ATOM 2519 CA LYS A 161 -2.456 4.663 -1.505 1.00 44.34 C ATOM 2520 C LYS A 161 -2.606 5.277 -2.889 1.00 22.40 C ATOM 2521 O LYS A 161 -3.715 5.511 -3.373 1.00 64.24 O ATOM 2522 CB LYS A 161 -2.239 5.814 -0.518 1.00 1.12 C ATOM 2523 CG LYS A 161 -2.034 5.399 0.924 1.00 11.31 C ATOM 2524 CD LYS A 161 -1.705 6.610 1.782 1.00 10.14 C ATOM 2525 CE LYS A 161 -1.100 6.208 3.112 1.00 10.24 C ATOM 2526 NZ LYS A 161 -0.736 7.389 3.937 1.00 13.24 N ATOM 0 H LYS A 161 -0.620 3.922 -0.784 1.00 54.20 H new ATOM 0 HA LYS A 161 -3.349 4.101 -1.231 1.00 44.34 H new ATOM 0 HB2 LYS A 161 -1.371 6.389 -0.841 1.00 1.12 H new ATOM 0 HB3 LYS A 161 -3.100 6.481 -0.568 1.00 1.12 H new ATOM 0 HG2 LYS A 161 -2.934 4.912 1.300 1.00 11.31 H new ATOM 0 HG3 LYS A 161 -1.226 4.670 0.988 1.00 11.31 H new ATOM 0 HD2 LYS A 161 -1.010 7.257 1.247 1.00 10.14 H new ATOM 0 HD3 LYS A 161 -2.611 7.190 1.955 1.00 10.14 H new ATOM 0 HE2 LYS A 161 -1.809 5.587 3.660 1.00 10.24 H new ATOM 0 HE3 LYS A 161 -0.212 5.600 2.938 1.00 10.24 H new ATOM 0 HZ1 LYS A 161 -0.295 7.071 4.823 1.00 13.24 H new ATOM 0 HZ2 LYS A 161 -0.066 7.986 3.412 1.00 13.24 H new ATOM 0 HZ3 LYS A 161 -1.592 7.938 4.154 1.00 13.24 H new ATOM 2540 N ILE A 162 -1.467 5.534 -3.508 1.00 64.54 N ATOM 2541 CA ILE A 162 -1.416 6.194 -4.800 1.00 61.41 C ATOM 2542 C ILE A 162 -1.812 5.246 -5.931 1.00 60.11 C ATOM 2543 O ILE A 162 -2.597 5.604 -6.798 1.00 30.13 O ATOM 2544 CB ILE A 162 -0.007 6.771 -5.040 1.00 34.51 C ATOM 2545 CG1 ILE A 162 0.198 7.973 -4.126 1.00 73.40 C ATOM 2546 CG2 ILE A 162 0.196 7.156 -6.497 1.00 42.01 C ATOM 2547 CD1 ILE A 162 1.628 8.172 -3.699 1.00 74.32 C ATOM 0 H ILE A 162 -0.552 5.291 -3.129 1.00 64.54 H new ATOM 0 HA ILE A 162 -2.138 7.010 -4.793 1.00 61.41 H new ATOM 0 HB ILE A 162 0.734 6.006 -4.808 1.00 34.51 H new ATOM 0 HG12 ILE A 162 -0.147 8.871 -4.639 1.00 73.40 H new ATOM 0 HG13 ILE A 162 -0.424 7.854 -3.239 1.00 73.40 H new ATOM 0 HG21 ILE A 162 1.200 7.559 -6.630 1.00 42.01 H new ATOM 0 HG22 ILE A 162 0.072 6.275 -7.127 1.00 42.01 H new ATOM 0 HG23 ILE A 162 -0.538 7.910 -6.780 1.00 42.01 H new ATOM 0 HD11 ILE A 162 1.696 9.046 -3.051 1.00 74.32 H new ATOM 0 HD12 ILE A 162 1.972 7.291 -3.158 1.00 74.32 H new ATOM 0 HD13 ILE A 162 2.253 8.324 -4.579 1.00 74.32 H new ATOM 2559 N VAL A 163 -1.341 4.017 -5.882 1.00 63.30 N ATOM 2560 CA VAL A 163 -1.568 3.085 -6.985 1.00 24.53 C ATOM 2561 C VAL A 163 -2.994 2.519 -6.939 1.00 74.34 C ATOM 2562 O VAL A 163 -3.447 1.840 -7.863 1.00 43.11 O ATOM 2563 CB VAL A 163 -0.526 1.953 -6.967 1.00 33.41 C ATOM 2564 CG1 VAL A 163 0.869 2.538 -7.055 1.00 23.35 C ATOM 2565 CG2 VAL A 163 -0.661 1.117 -5.718 1.00 72.14 C ATOM 0 H VAL A 163 -0.804 3.636 -5.103 1.00 63.30 H new ATOM 0 HA VAL A 163 -1.455 3.633 -7.920 1.00 24.53 H new ATOM 0 HB VAL A 163 -0.701 1.308 -7.828 1.00 33.41 H new ATOM 0 HG11 VAL A 163 1.603 1.732 -7.042 1.00 23.35 H new ATOM 0 HG12 VAL A 163 0.968 3.104 -7.981 1.00 23.35 H new ATOM 0 HG13 VAL A 163 1.041 3.199 -6.205 1.00 23.35 H new ATOM 0 HG21 VAL A 163 0.086 0.324 -5.729 1.00 72.14 H new ATOM 0 HG22 VAL A 163 -0.510 1.746 -4.841 1.00 72.14 H new ATOM 0 HG23 VAL A 163 -1.657 0.676 -5.681 1.00 72.14 H new ATOM 2575 N ILE A 164 -3.688 2.829 -5.844 1.00 63.52 N ATOM 2576 CA ILE A 164 -5.114 2.560 -5.704 1.00 12.23 C ATOM 2577 C ILE A 164 -5.909 3.312 -6.783 1.00 61.54 C ATOM 2578 O ILE A 164 -6.917 2.821 -7.295 1.00 43.02 O ATOM 2579 CB ILE A 164 -5.602 2.954 -4.280 1.00 41.31 C ATOM 2580 CG1 ILE A 164 -5.280 1.827 -3.294 1.00 72.34 C ATOM 2581 CG2 ILE A 164 -7.090 3.282 -4.257 1.00 20.03 C ATOM 2582 CD1 ILE A 164 -5.584 2.162 -1.852 1.00 64.12 C ATOM 0 H ILE A 164 -3.272 3.276 -5.027 1.00 63.52 H new ATOM 0 HA ILE A 164 -5.284 1.492 -5.839 1.00 12.23 H new ATOM 0 HB ILE A 164 -5.073 3.859 -3.980 1.00 41.31 H new ATOM 0 HG12 ILE A 164 -5.846 0.939 -3.576 1.00 72.34 H new ATOM 0 HG13 ILE A 164 -4.224 1.573 -3.382 1.00 72.34 H new ATOM 0 HG21 ILE A 164 -7.388 3.552 -3.244 1.00 20.03 H new ATOM 0 HG22 ILE A 164 -7.289 4.118 -4.928 1.00 20.03 H new ATOM 0 HG23 ILE A 164 -7.660 2.412 -4.583 1.00 20.03 H new ATOM 0 HD11 ILE A 164 -5.328 1.312 -1.219 1.00 64.12 H new ATOM 0 HD12 ILE A 164 -4.998 3.030 -1.549 1.00 64.12 H new ATOM 0 HD13 ILE A 164 -6.645 2.386 -1.747 1.00 64.12 H new ATOM 2594 N GLN A 165 -5.417 4.480 -7.161 1.00 64.51 N ATOM 2595 CA GLN A 165 -6.082 5.299 -8.162 1.00 13.24 C ATOM 2596 C GLN A 165 -5.207 5.369 -9.409 1.00 54.32 C ATOM 2597 O GLN A 165 -4.098 5.881 -9.354 1.00 15.05 O ATOM 2598 CB GLN A 165 -6.346 6.706 -7.611 1.00 4.42 C ATOM 2599 CG GLN A 165 -6.914 6.707 -6.197 1.00 31.22 C ATOM 2600 CD GLN A 165 -7.143 8.101 -5.649 1.00 13.53 C ATOM 2601 OE1 GLN A 165 -7.436 9.038 -6.391 1.00 2.32 O ATOM 2602 NE2 GLN A 165 -7.016 8.246 -4.340 1.00 53.34 N ATOM 0 H GLN A 165 -4.557 4.884 -6.789 1.00 64.51 H new ATOM 0 HA GLN A 165 -7.042 4.852 -8.419 1.00 13.24 H new ATOM 0 HB2 GLN A 165 -5.415 7.272 -7.621 1.00 4.42 H new ATOM 0 HB3 GLN A 165 -7.040 7.223 -8.274 1.00 4.42 H new ATOM 0 HG2 GLN A 165 -7.857 6.161 -6.191 1.00 31.22 H new ATOM 0 HG3 GLN A 165 -6.231 6.171 -5.537 1.00 31.22 H new ATOM 0 HE21 GLN A 165 -6.772 7.444 -3.759 1.00 53.34 H new ATOM 0 HE22 GLN A 165 -7.162 9.160 -3.912 1.00 53.34 H new ATOM 2611 N LYS A 166 -5.698 4.805 -10.510 1.00 12.22 N ATOM 2612 CA LYS A 166 -4.934 4.735 -11.761 1.00 51.43 C ATOM 2613 C LYS A 166 -4.447 6.107 -12.245 1.00 63.13 C ATOM 2614 O LYS A 166 -3.342 6.227 -12.769 1.00 53.20 O ATOM 2615 CB LYS A 166 -5.764 4.065 -12.855 1.00 55.22 C ATOM 2616 CG LYS A 166 -4.974 3.786 -14.124 1.00 2.20 C ATOM 2617 CD LYS A 166 -5.808 3.067 -15.172 1.00 13.22 C ATOM 2618 CE LYS A 166 -6.209 1.676 -14.714 1.00 25.15 C ATOM 2619 NZ LYS A 166 -6.860 0.897 -15.802 1.00 54.13 N ATOM 0 H LYS A 166 -6.627 4.387 -10.565 1.00 12.22 H new ATOM 0 HA LYS A 166 -4.048 4.137 -11.548 1.00 51.43 H new ATOM 0 HB2 LYS A 166 -6.167 3.127 -12.473 1.00 55.22 H new ATOM 0 HB3 LYS A 166 -6.615 4.702 -13.098 1.00 55.22 H new ATOM 0 HG2 LYS A 166 -4.607 4.726 -14.536 1.00 2.20 H new ATOM 0 HG3 LYS A 166 -4.100 3.182 -13.881 1.00 2.20 H new ATOM 0 HD2 LYS A 166 -6.703 3.651 -15.388 1.00 13.22 H new ATOM 0 HD3 LYS A 166 -5.242 2.995 -16.101 1.00 13.22 H new ATOM 0 HE2 LYS A 166 -5.326 1.141 -14.363 1.00 25.15 H new ATOM 0 HE3 LYS A 166 -6.891 1.756 -13.867 1.00 25.15 H new ATOM 0 HZ1 LYS A 166 -7.072 -0.063 -15.463 1.00 54.13 H new ATOM 0 HZ2 LYS A 166 -7.744 1.367 -16.085 1.00 54.13 H new ATOM 0 HZ3 LYS A 166 -6.220 0.842 -16.620 1.00 54.13 H new ATOM 2633 N TYR A 167 -5.264 7.136 -12.083 1.00 13.32 N ATOM 2634 CA TYR A 167 -4.870 8.478 -12.500 1.00 1.50 C ATOM 2635 C TYR A 167 -4.945 9.445 -11.329 1.00 73.54 C ATOM 2636 O TYR A 167 -5.886 9.398 -10.535 1.00 14.11 O ATOM 2637 CB TYR A 167 -5.767 8.993 -13.635 1.00 41.14 C ATOM 2638 CG TYR A 167 -5.633 8.234 -14.937 1.00 10.02 C ATOM 2639 CD1 TYR A 167 -6.363 7.076 -15.167 1.00 62.14 C ATOM 2640 CD2 TYR A 167 -4.780 8.679 -15.938 1.00 2.13 C ATOM 2641 CE1 TYR A 167 -6.243 6.382 -16.352 1.00 65.34 C ATOM 2642 CE2 TYR A 167 -4.656 7.991 -17.129 1.00 21.30 C ATOM 2643 CZ TYR A 167 -5.390 6.842 -17.329 1.00 5.10 C ATOM 2644 OH TYR A 167 -5.264 6.144 -18.509 1.00 5.44 O ATOM 0 H TYR A 167 -6.195 7.072 -11.671 1.00 13.32 H new ATOM 0 HA TYR A 167 -3.843 8.419 -12.860 1.00 1.50 H new ATOM 0 HB2 TYR A 167 -6.806 8.948 -13.308 1.00 41.14 H new ATOM 0 HB3 TYR A 167 -5.535 10.043 -13.816 1.00 41.14 H new ATOM 0 HD1 TYR A 167 -7.036 6.713 -14.405 1.00 62.14 H new ATOM 0 HD2 TYR A 167 -4.203 9.579 -15.783 1.00 2.13 H new ATOM 0 HE1 TYR A 167 -6.816 5.481 -16.513 1.00 65.34 H new ATOM 0 HE2 TYR A 167 -3.989 8.351 -17.898 1.00 21.30 H new ATOM 0 HH TYR A 167 -4.455 5.592 -18.478 1.00 5.44 H new ATOM 2654 N HIS A 168 -3.952 10.318 -11.220 1.00 13.12 N ATOM 2655 CA HIS A 168 -3.931 11.328 -10.171 1.00 0.14 C ATOM 2656 C HIS A 168 -3.825 12.721 -10.761 1.00 12.53 C ATOM 2657 O HIS A 168 -3.090 12.945 -11.723 1.00 22.22 O ATOM 2658 CB HIS A 168 -2.776 11.091 -9.198 1.00 21.24 C ATOM 2659 CG HIS A 168 -3.034 9.968 -8.250 1.00 74.14 C ATOM 2660 ND1 HIS A 168 -3.329 10.177 -6.922 1.00 21.14 N ATOM 2661 CD2 HIS A 168 -3.071 8.654 -8.501 1.00 53.01 C ATOM 2662 CE1 HIS A 168 -3.544 8.978 -6.414 1.00 43.21 C ATOM 2663 NE2 HIS A 168 -3.396 8.035 -7.337 1.00 52.23 N ATOM 0 H HIS A 168 -3.148 10.347 -11.848 1.00 13.12 H new ATOM 0 HA HIS A 168 -4.870 11.247 -9.624 1.00 0.14 H new ATOM 0 HB2 HIS A 168 -1.869 10.880 -9.764 1.00 21.24 H new ATOM 0 HB3 HIS A 168 -2.593 12.004 -8.631 1.00 21.24 H new ATOM 0 HD2 HIS A 168 -2.879 8.176 -9.450 1.00 53.01 H new ATOM 0 HE1 HIS A 168 -3.806 8.789 -5.383 1.00 43.21 H new ATOM 0 HE2 HIS A 168 -3.506 7.031 -7.197 1.00 52.23 H new ATOM 2671 N THR A 169 -4.557 13.650 -10.175 1.00 73.24 N ATOM 2672 CA THR A 169 -4.587 15.020 -10.648 1.00 62.12 C ATOM 2673 C THR A 169 -3.464 15.843 -10.021 1.00 35.14 C ATOM 2674 O THR A 169 -3.524 16.216 -8.850 1.00 0.22 O ATOM 2675 CB THR A 169 -5.946 15.669 -10.334 1.00 21.35 C ATOM 2676 OG1 THR A 169 -7.000 14.773 -10.711 1.00 33.14 O ATOM 2677 CG2 THR A 169 -6.103 16.985 -11.074 1.00 23.44 C ATOM 0 H THR A 169 -5.146 13.476 -9.360 1.00 73.24 H new ATOM 0 HA THR A 169 -4.441 15.002 -11.728 1.00 62.12 H new ATOM 0 HB THR A 169 -5.996 15.871 -9.264 1.00 21.35 H new ATOM 0 HG1 THR A 169 -7.867 15.184 -10.510 1.00 33.14 H new ATOM 0 HG21 THR A 169 -7.072 17.423 -10.835 1.00 23.44 H new ATOM 0 HG22 THR A 169 -5.310 17.669 -10.771 1.00 23.44 H new ATOM 0 HG23 THR A 169 -6.040 16.808 -12.148 1.00 23.44 H new ATOM 2685 N VAL A 170 -2.439 16.101 -10.812 1.00 25.31 N ATOM 2686 CA VAL A 170 -1.313 16.918 -10.392 1.00 41.40 C ATOM 2687 C VAL A 170 -1.330 18.229 -11.168 1.00 2.32 C ATOM 2688 O VAL A 170 -1.369 18.216 -12.399 1.00 11.11 O ATOM 2689 CB VAL A 170 0.034 16.195 -10.631 1.00 54.35 C ATOM 2690 CG1 VAL A 170 1.188 16.990 -10.048 1.00 11.13 C ATOM 2691 CG2 VAL A 170 0.013 14.790 -10.048 1.00 54.22 C ATOM 0 H VAL A 170 -2.363 15.749 -11.766 1.00 25.31 H new ATOM 0 HA VAL A 170 -1.408 17.108 -9.323 1.00 41.40 H new ATOM 0 HB VAL A 170 0.179 16.116 -11.708 1.00 54.35 H new ATOM 0 HG11 VAL A 170 2.123 16.460 -10.229 1.00 11.13 H new ATOM 0 HG12 VAL A 170 1.229 17.971 -10.521 1.00 11.13 H new ATOM 0 HG13 VAL A 170 1.041 17.110 -8.975 1.00 11.13 H new ATOM 0 HG21 VAL A 170 0.972 14.306 -10.231 1.00 54.22 H new ATOM 0 HG22 VAL A 170 -0.167 14.844 -8.974 1.00 54.22 H new ATOM 0 HG23 VAL A 170 -0.781 14.212 -10.521 1.00 54.22 H new ATOM 2701 N ASN A 171 -1.279 19.350 -10.441 1.00 44.31 N ATOM 2702 CA ASN A 171 -1.443 20.696 -11.018 1.00 32.42 C ATOM 2703 C ASN A 171 -2.624 20.770 -12.003 1.00 42.24 C ATOM 2704 O ASN A 171 -2.544 21.406 -13.054 1.00 42.35 O ATOM 2705 CB ASN A 171 -0.136 21.148 -11.687 1.00 2.14 C ATOM 2706 CG ASN A 171 -0.019 22.663 -11.774 1.00 60.12 C ATOM 2707 OD1 ASN A 171 -0.311 23.269 -12.806 1.00 13.11 O ATOM 2708 ND2 ASN A 171 0.385 23.288 -10.680 1.00 25.15 N ATOM 0 H ASN A 171 -1.123 19.354 -9.433 1.00 44.31 H new ATOM 0 HA ASN A 171 -1.676 21.379 -10.201 1.00 32.42 H new ATOM 0 HB2 ASN A 171 0.711 20.753 -11.126 1.00 2.14 H new ATOM 0 HB3 ASN A 171 -0.079 20.724 -12.690 1.00 2.14 H new ATOM 0 HD21 ASN A 171 0.463 24.305 -10.673 1.00 25.15 H new ATOM 0 HD22 ASN A 171 0.618 22.753 -9.844 1.00 25.15 H new ATOM 2715 N GLY A 172 -3.717 20.108 -11.654 1.00 0.53 N ATOM 2716 CA GLY A 172 -4.916 20.156 -12.474 1.00 64.14 C ATOM 2717 C GLY A 172 -4.924 19.159 -13.625 1.00 21.02 C ATOM 2718 O GLY A 172 -5.933 19.023 -14.314 1.00 21.00 O ATOM 0 H GLY A 172 -3.798 19.535 -10.814 1.00 0.53 H new ATOM 0 HA2 GLY A 172 -5.784 19.970 -11.841 1.00 64.14 H new ATOM 0 HA3 GLY A 172 -5.026 21.162 -12.879 1.00 64.14 H new ATOM 2722 N HIS A 173 -3.820 18.458 -13.837 1.00 20.21 N ATOM 2723 CA HIS A 173 -3.737 17.475 -14.912 1.00 74.13 C ATOM 2724 C HIS A 173 -3.748 16.061 -14.343 1.00 74.42 C ATOM 2725 O HIS A 173 -2.969 15.741 -13.450 1.00 74.31 O ATOM 2726 CB HIS A 173 -2.465 17.698 -15.743 1.00 71.13 C ATOM 2727 CG HIS A 173 -2.293 16.714 -16.864 1.00 0.25 C ATOM 2728 ND1 HIS A 173 -3.042 16.802 -18.007 1.00 65.01 N ATOM 2729 CD2 HIS A 173 -1.475 15.635 -16.953 1.00 11.11 C ATOM 2730 CE1 HIS A 173 -2.672 15.784 -18.761 1.00 15.15 C ATOM 2731 NE2 HIS A 173 -1.724 15.047 -18.166 1.00 43.54 N ATOM 0 H HIS A 173 -2.970 18.550 -13.281 1.00 20.21 H new ATOM 0 HA HIS A 173 -4.606 17.599 -15.559 1.00 74.13 H new ATOM 0 HB2 HIS A 173 -2.485 18.706 -16.157 1.00 71.13 H new ATOM 0 HB3 HIS A 173 -1.598 17.640 -15.085 1.00 71.13 H new ATOM 0 HD2 HIS A 173 -0.764 15.303 -16.211 1.00 11.11 H new ATOM 0 HE1 HIS A 173 -3.083 15.571 -19.737 1.00 15.15 H new ATOM 0 HE2 HIS A 173 -1.275 14.212 -18.542 1.00 43.54 H new ATOM 2739 N ASN A 174 -4.625 15.213 -14.860 1.00 74.53 N ATOM 2740 CA ASN A 174 -4.667 13.827 -14.419 1.00 15.15 C ATOM 2741 C ASN A 174 -3.672 12.984 -15.219 1.00 62.34 C ATOM 2742 O ASN A 174 -3.794 12.818 -16.431 1.00 41.11 O ATOM 2743 CB ASN A 174 -6.096 13.245 -14.480 1.00 30.11 C ATOM 2744 CG ASN A 174 -6.694 13.175 -15.877 1.00 24.45 C ATOM 2745 OD1 ASN A 174 -6.583 12.161 -16.567 1.00 25.54 O ATOM 2746 ND2 ASN A 174 -7.350 14.244 -16.298 1.00 61.01 N ATOM 0 H ASN A 174 -5.309 15.456 -15.576 1.00 74.53 H new ATOM 0 HA ASN A 174 -4.369 13.797 -13.371 1.00 15.15 H new ATOM 0 HB2 ASN A 174 -6.084 12.242 -14.054 1.00 30.11 H new ATOM 0 HB3 ASN A 174 -6.748 13.851 -13.850 1.00 30.11 H new ATOM 0 HD21 ASN A 174 -7.784 14.245 -17.221 1.00 61.01 H new ATOM 0 HD22 ASN A 174 -7.422 15.067 -15.699 1.00 61.01 H new ATOM 2753 N CYS A 175 -2.654 12.506 -14.529 1.00 22.11 N ATOM 2754 CA CYS A 175 -1.631 11.671 -15.133 1.00 30.53 C ATOM 2755 C CYS A 175 -1.729 10.263 -14.572 1.00 52.12 C ATOM 2756 O CYS A 175 -2.246 10.071 -13.470 1.00 24.34 O ATOM 2757 CB CYS A 175 -0.246 12.263 -14.869 1.00 73.51 C ATOM 2758 SG CYS A 175 -0.017 12.856 -13.175 1.00 75.30 S ATOM 0 H CYS A 175 -2.512 12.685 -13.535 1.00 22.11 H new ATOM 0 HA CYS A 175 -1.785 11.631 -16.211 1.00 30.53 H new ATOM 0 HB2 CYS A 175 0.509 11.507 -15.085 1.00 73.51 H new ATOM 0 HB3 CYS A 175 -0.077 13.089 -15.559 1.00 73.51 H new ATOM 0 HG CYS A 175 1.183 13.338 -13.042 1.00 75.30 H new ATOM 2764 N GLU A 176 -1.231 9.288 -15.315 1.00 11.43 N ATOM 2765 CA GLU A 176 -1.378 7.894 -14.936 1.00 63.54 C ATOM 2766 C GLU A 176 -0.266 7.469 -13.989 1.00 71.24 C ATOM 2767 O GLU A 176 0.901 7.808 -14.183 1.00 33.22 O ATOM 2768 CB GLU A 176 -1.377 7.000 -16.174 1.00 34.44 C ATOM 2769 CG GLU A 176 -1.928 5.613 -15.902 1.00 34.45 C ATOM 2770 CD GLU A 176 -1.874 4.709 -17.112 1.00 3.33 C ATOM 2771 OE1 GLU A 176 -2.801 4.771 -17.943 1.00 51.14 O ATOM 2772 OE2 GLU A 176 -0.913 3.919 -17.231 1.00 44.05 O ATOM 0 H GLU A 176 -0.721 9.438 -16.185 1.00 11.43 H new ATOM 0 HA GLU A 176 -2.333 7.785 -14.421 1.00 63.54 H new ATOM 0 HB2 GLU A 176 -1.969 7.473 -16.958 1.00 34.44 H new ATOM 0 HB3 GLU A 176 -0.358 6.913 -16.552 1.00 34.44 H new ATOM 0 HG2 GLU A 176 -1.363 5.157 -15.089 1.00 34.45 H new ATOM 0 HG3 GLU A 176 -2.961 5.698 -15.564 1.00 34.45 H new ATOM 2779 N VAL A 177 -0.650 6.722 -12.970 1.00 3.24 N ATOM 2780 CA VAL A 177 0.290 6.250 -11.975 1.00 73.45 C ATOM 2781 C VAL A 177 0.143 4.747 -11.764 1.00 52.13 C ATOM 2782 O VAL A 177 -0.854 4.146 -12.176 1.00 70.32 O ATOM 2783 CB VAL A 177 0.139 6.978 -10.615 1.00 65.32 C ATOM 2784 CG1 VAL A 177 0.056 8.488 -10.787 1.00 25.12 C ATOM 2785 CG2 VAL A 177 -1.051 6.450 -9.843 1.00 20.01 C ATOM 0 H VAL A 177 -1.614 6.429 -12.811 1.00 3.24 H new ATOM 0 HA VAL A 177 1.284 6.474 -12.362 1.00 73.45 H new ATOM 0 HB VAL A 177 1.037 6.768 -10.034 1.00 65.32 H new ATOM 0 HG11 VAL A 177 -0.049 8.960 -9.810 1.00 25.12 H new ATOM 0 HG12 VAL A 177 0.964 8.850 -11.269 1.00 25.12 H new ATOM 0 HG13 VAL A 177 -0.807 8.737 -11.405 1.00 25.12 H new ATOM 0 HG21 VAL A 177 -1.132 6.979 -8.893 1.00 20.01 H new ATOM 0 HG22 VAL A 177 -1.960 6.606 -10.424 1.00 20.01 H new ATOM 0 HG23 VAL A 177 -0.919 5.385 -9.655 1.00 20.01 H new ATOM 2795 N ARG A 178 1.158 4.164 -11.134 1.00 32.21 N ATOM 2796 CA ARG A 178 1.172 2.728 -10.832 1.00 52.45 C ATOM 2797 C ARG A 178 2.396 2.349 -10.017 1.00 24.53 C ATOM 2798 O ARG A 178 3.273 3.183 -9.783 1.00 24.22 O ATOM 2799 CB ARG A 178 1.123 1.896 -12.118 1.00 5.33 C ATOM 2800 CG ARG A 178 2.440 1.826 -12.866 1.00 31.31 C ATOM 2801 CD ARG A 178 2.227 1.370 -14.292 1.00 32.40 C ATOM 2802 NE ARG A 178 3.483 1.114 -14.988 1.00 63.12 N ATOM 2803 CZ ARG A 178 3.708 1.429 -16.263 1.00 34.11 C ATOM 2804 NH1 ARG A 178 2.758 2.017 -16.988 1.00 64.54 N ATOM 2805 NH2 ARG A 178 4.880 1.148 -16.815 1.00 22.43 N ATOM 0 H ARG A 178 1.989 4.664 -10.819 1.00 32.21 H new ATOM 0 HA ARG A 178 0.282 2.512 -10.241 1.00 52.45 H new ATOM 0 HB2 ARG A 178 0.805 0.883 -11.870 1.00 5.33 H new ATOM 0 HB3 ARG A 178 0.365 2.315 -12.779 1.00 5.33 H new ATOM 0 HG2 ARG A 178 2.918 2.805 -12.861 1.00 31.31 H new ATOM 0 HG3 ARG A 178 3.116 1.139 -12.357 1.00 31.31 H new ATOM 0 HD2 ARG A 178 1.622 0.463 -14.294 1.00 32.40 H new ATOM 0 HD3 ARG A 178 1.663 2.130 -14.833 1.00 32.40 H new ATOM 0 HE ARG A 178 4.236 0.666 -14.466 1.00 63.12 H new ATOM 0 HH11 ARG A 178 1.853 2.228 -16.568 1.00 64.54 H new ATOM 0 HH12 ARG A 178 2.935 2.256 -17.964 1.00 64.54 H new ATOM 0 HH21 ARG A 178 5.607 0.692 -16.264 1.00 22.43 H new ATOM 0 HH22 ARG A 178 5.055 1.388 -17.791 1.00 22.43 H new ATOM 2819 N LYS A 179 2.441 1.088 -9.583 1.00 20.42 N ATOM 2820 CA LYS A 179 3.611 0.549 -8.902 1.00 32.14 C ATOM 2821 C LYS A 179 4.823 0.604 -9.816 1.00 1.24 C ATOM 2822 O LYS A 179 4.740 0.254 -10.994 1.00 65.44 O ATOM 2823 CB LYS A 179 3.386 -0.906 -8.485 1.00 10.14 C ATOM 2824 CG LYS A 179 2.354 -1.102 -7.390 1.00 21.14 C ATOM 2825 CD LYS A 179 2.837 -0.580 -6.046 1.00 63.44 C ATOM 2826 CE LYS A 179 2.458 -1.534 -4.925 1.00 4.32 C ATOM 2827 NZ LYS A 179 0.981 -1.699 -4.790 1.00 11.22 N ATOM 0 H LYS A 179 1.676 0.422 -9.693 1.00 20.42 H new ATOM 0 HA LYS A 179 3.781 1.157 -8.013 1.00 32.14 H new ATOM 0 HB2 LYS A 179 3.078 -1.477 -9.361 1.00 10.14 H new ATOM 0 HB3 LYS A 179 4.335 -1.324 -8.149 1.00 10.14 H new ATOM 0 HG2 LYS A 179 1.432 -0.591 -7.666 1.00 21.14 H new ATOM 0 HG3 LYS A 179 2.117 -2.162 -7.302 1.00 21.14 H new ATOM 0 HD2 LYS A 179 3.919 -0.451 -6.069 1.00 63.44 H new ATOM 0 HD3 LYS A 179 2.403 0.402 -5.856 1.00 63.44 H new ATOM 0 HE2 LYS A 179 2.914 -2.507 -5.110 1.00 4.32 H new ATOM 0 HE3 LYS A 179 2.867 -1.165 -3.984 1.00 4.32 H new ATOM 0 HZ1 LYS A 179 0.770 -2.645 -4.412 1.00 11.22 H new ATOM 0 HZ2 LYS A 179 0.609 -0.976 -4.142 1.00 11.22 H new ATOM 0 HZ3 LYS A 179 0.533 -1.592 -5.722 1.00 11.22 H new ATOM 2841 N ALA A 180 5.937 1.050 -9.276 1.00 44.31 N ATOM 2842 CA ALA A 180 7.181 1.071 -10.014 1.00 14.23 C ATOM 2843 C ALA A 180 8.250 0.381 -9.208 1.00 74.33 C ATOM 2844 O ALA A 180 8.503 0.748 -8.069 1.00 50.12 O ATOM 2845 CB ALA A 180 7.602 2.494 -10.334 1.00 3.15 C ATOM 0 H ALA A 180 6.006 1.405 -8.322 1.00 44.31 H new ATOM 0 HA ALA A 180 7.037 0.545 -10.958 1.00 14.23 H new ATOM 0 HB1 ALA A 180 8.540 2.480 -10.889 1.00 3.15 H new ATOM 0 HB2 ALA A 180 6.831 2.975 -10.936 1.00 3.15 H new ATOM 0 HB3 ALA A 180 7.737 3.051 -9.407 1.00 3.15 H new ATOM 2851 N LEU A 181 8.850 -0.638 -9.776 1.00 43.45 N ATOM 2852 CA LEU A 181 9.921 -1.315 -9.092 1.00 63.31 C ATOM 2853 C LEU A 181 11.250 -0.798 -9.596 1.00 2.35 C ATOM 2854 O LEU A 181 11.582 -0.947 -10.776 1.00 65.25 O ATOM 2855 CB LEU A 181 9.850 -2.827 -9.285 1.00 23.43 C ATOM 2856 CG LEU A 181 8.495 -3.488 -8.999 1.00 54.11 C ATOM 2857 CD1 LEU A 181 8.626 -4.998 -9.065 1.00 74.40 C ATOM 2858 CD2 LEU A 181 7.954 -3.068 -7.646 1.00 74.33 C ATOM 0 H LEU A 181 8.618 -1.011 -10.697 1.00 43.45 H new ATOM 0 HA LEU A 181 9.820 -1.111 -8.026 1.00 63.31 H new ATOM 0 HB2 LEU A 181 10.130 -3.054 -10.314 1.00 23.43 H new ATOM 0 HB3 LEU A 181 10.598 -3.289 -8.641 1.00 23.43 H new ATOM 0 HG LEU A 181 7.790 -3.157 -9.761 1.00 54.11 H new ATOM 0 HD11 LEU A 181 7.658 -5.456 -8.860 1.00 74.40 H new ATOM 0 HD12 LEU A 181 8.963 -5.291 -10.059 1.00 74.40 H new ATOM 0 HD13 LEU A 181 9.350 -5.333 -8.323 1.00 74.40 H new ATOM 0 HD21 LEU A 181 6.993 -3.553 -7.472 1.00 74.33 H new ATOM 0 HD22 LEU A 181 8.656 -3.363 -6.866 1.00 74.33 H new ATOM 0 HD23 LEU A 181 7.824 -1.986 -7.626 1.00 74.33 H new