USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1136 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 103 GLN : amide:sc= 0 X(o=-1.5,f=-2) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 154:sc= -1.53 (180deg=-2.38!) USER MOD Set 2.1: A 91 MET CE :methyl -129:sc= -0.248 (180deg=-1.89!) USER MOD Set 2.2: A 95 GLN : amide:sc= -0.0495 K(o=-0.3,f=-0.81) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.81! C(o=-2.8!,f=-4.3!) USER MOD Single : A 19 THR OG1 : rot 85:sc= 0.731 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -145:sc= 0 (180deg=-2.21) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.634 K(o=-0.63,f=-0.092) USER MOD Single : A 40 TYR OH : rot 15:sc= -0.953 USER MOD Single : A 43 MET CE :methyl 138:sc= -0.0917 (180deg=-0.27) USER MOD Single : A 45 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.723) USER MOD Single : A 53 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 57 THR OG1 : rot -36:sc= -0.715 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.184 USER MOD Single : A 69 THR OG1 : rot -59:sc= 0.878 USER MOD Single : A 70 HIS : no HD1:sc= -0.447 K(o=-0.45,f=-1.5) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.38! C(o=-2.4!,f=-6.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0.593 (180deg=0.48) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -121:sc= -0.0516 (180deg=-2.37!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 101 SER OG : rot 67:sc= 0.0189 USER MOD Single : A 104 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.93) USER MOD Single : A 106 TYR OH : rot -130:sc= 0.376 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.265 K(o=-0.27,f=-0.94) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 115 HIS : no HD1:sc= -0.883 K(o=-0.88,f=-0.18) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.8!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 180 SER OG : rot -77:sc= 0.326 USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 6.003 10.933 -14.050 1.00 60.43 N ATOM 123 CA ASP A 12 5.010 11.894 -14.515 1.00 43.41 C ATOM 124 C ASP A 12 4.978 13.122 -13.610 1.00 43.45 C ATOM 125 O ASP A 12 4.633 14.220 -14.048 1.00 2.43 O ATOM 126 CB ASP A 12 3.626 11.247 -14.565 1.00 73.54 C ATOM 127 CG ASP A 12 2.712 11.910 -15.577 1.00 43.31 C ATOM 128 OD1 ASP A 12 2.852 11.619 -16.784 1.00 13.13 O ATOM 129 OD2 ASP A 12 1.858 12.720 -15.162 1.00 55.42 O ATOM 0 HA ASP A 12 5.290 12.211 -15.520 1.00 43.41 H new ATOM 0 HB2 ASP A 12 3.731 10.191 -14.812 1.00 73.54 H new ATOM 0 HB3 ASP A 12 3.168 11.299 -13.577 1.00 73.54 H new ATOM 134 N LYS A 13 5.339 12.929 -12.346 1.00 45.35 N ATOM 135 CA LYS A 13 5.353 14.020 -11.379 1.00 32.01 C ATOM 136 C LYS A 13 6.463 15.017 -11.698 1.00 35.31 C ATOM 137 O LYS A 13 6.285 16.226 -11.554 1.00 15.31 O ATOM 138 CB LYS A 13 5.538 13.471 -9.963 1.00 31.54 C ATOM 139 CG LYS A 13 5.872 14.538 -8.935 1.00 63.10 C ATOM 140 CD LYS A 13 5.094 14.334 -7.646 1.00 53.31 C ATOM 141 CE LYS A 13 3.825 15.173 -7.623 1.00 31.20 C ATOM 142 NZ LYS A 13 3.530 15.695 -6.260 1.00 1.20 N ATOM 0 H LYS A 13 5.626 12.026 -11.967 1.00 45.35 H new ATOM 0 HA LYS A 13 4.396 14.538 -11.440 1.00 32.01 H new ATOM 0 HB2 LYS A 13 4.625 12.959 -9.659 1.00 31.54 H new ATOM 0 HB3 LYS A 13 6.334 12.726 -9.972 1.00 31.54 H new ATOM 0 HG2 LYS A 13 6.941 14.518 -8.723 1.00 63.10 H new ATOM 0 HG3 LYS A 13 5.647 15.523 -9.345 1.00 63.10 H new ATOM 0 HD2 LYS A 13 4.837 13.280 -7.538 1.00 53.31 H new ATOM 0 HD3 LYS A 13 5.722 14.598 -6.795 1.00 53.31 H new ATOM 0 HE2 LYS A 13 3.929 16.007 -8.317 1.00 31.20 H new ATOM 0 HE3 LYS A 13 2.985 14.571 -7.971 1.00 31.20 H new ATOM 0 HZ1 LYS A 13 2.658 16.261 -6.286 1.00 1.20 H new ATOM 0 HZ2 LYS A 13 3.406 14.899 -5.603 1.00 1.20 H new ATOM 0 HZ3 LYS A 13 4.320 16.290 -5.938 1.00 1.20 H new ATOM 156 N VAL A 14 7.608 14.501 -12.133 1.00 52.14 N ATOM 157 CA VAL A 14 8.746 15.346 -12.475 1.00 54.34 C ATOM 158 C VAL A 14 8.414 16.267 -13.644 1.00 43.24 C ATOM 159 O VAL A 14 8.836 17.424 -13.676 1.00 35.31 O ATOM 160 CB VAL A 14 9.983 14.503 -12.835 1.00 61.13 C ATOM 161 CG1 VAL A 14 9.664 13.546 -13.974 1.00 25.44 C ATOM 162 CG2 VAL A 14 11.154 15.404 -13.197 1.00 63.43 C ATOM 0 H VAL A 14 7.772 13.502 -12.257 1.00 52.14 H new ATOM 0 HA VAL A 14 8.970 15.948 -11.594 1.00 54.34 H new ATOM 0 HB VAL A 14 10.265 13.912 -11.964 1.00 61.13 H new ATOM 0 HG11 VAL A 14 10.550 12.959 -14.215 1.00 25.44 H new ATOM 0 HG12 VAL A 14 8.857 12.878 -13.673 1.00 25.44 H new ATOM 0 HG13 VAL A 14 9.356 14.115 -14.852 1.00 25.44 H new ATOM 0 HG21 VAL A 14 12.020 14.792 -13.449 1.00 63.43 H new ATOM 0 HG22 VAL A 14 10.886 16.023 -14.053 1.00 63.43 H new ATOM 0 HG23 VAL A 14 11.396 16.044 -12.349 1.00 63.43 H new ATOM 172 N TYR A 15 7.657 15.747 -14.604 1.00 11.03 N ATOM 173 CA TYR A 15 7.270 16.522 -15.777 1.00 20.13 C ATOM 174 C TYR A 15 6.250 17.595 -15.409 1.00 34.33 C ATOM 175 O TYR A 15 6.057 18.561 -16.145 1.00 52.23 O ATOM 176 CB TYR A 15 6.693 15.602 -16.854 1.00 63.11 C ATOM 177 CG TYR A 15 6.099 16.344 -18.029 1.00 52.34 C ATOM 178 CD1 TYR A 15 6.809 17.352 -18.671 1.00 12.14 C ATOM 179 CD2 TYR A 15 4.827 16.039 -18.498 1.00 40.02 C ATOM 180 CE1 TYR A 15 6.269 18.034 -19.744 1.00 65.35 C ATOM 181 CE2 TYR A 15 4.280 16.714 -19.572 1.00 45.32 C ATOM 182 CZ TYR A 15 5.005 17.711 -20.192 1.00 23.22 C ATOM 183 OH TYR A 15 4.464 18.387 -21.261 1.00 72.20 O ATOM 0 H TYR A 15 7.299 14.792 -14.593 1.00 11.03 H new ATOM 0 HA TYR A 15 8.162 17.013 -16.167 1.00 20.13 H new ATOM 0 HB2 TYR A 15 7.480 14.939 -17.214 1.00 63.11 H new ATOM 0 HB3 TYR A 15 5.925 14.971 -16.407 1.00 63.11 H new ATOM 0 HD1 TYR A 15 7.800 17.606 -18.325 1.00 12.14 H new ATOM 0 HD2 TYR A 15 4.256 15.260 -18.014 1.00 40.02 H new ATOM 0 HE1 TYR A 15 6.834 18.816 -20.230 1.00 65.35 H new ATOM 0 HE2 TYR A 15 3.290 16.463 -19.924 1.00 45.32 H new ATOM 0 HH TYR A 15 3.568 18.037 -21.450 1.00 72.20 H new ATOM 193 N GLU A 16 5.600 17.416 -14.263 1.00 33.21 N ATOM 194 CA GLU A 16 4.599 18.368 -13.796 1.00 53.15 C ATOM 195 C GLU A 16 5.262 19.582 -13.151 1.00 35.53 C ATOM 196 O GLU A 16 5.028 20.719 -13.557 1.00 31.10 O ATOM 197 CB GLU A 16 3.652 17.699 -12.798 1.00 70.20 C ATOM 198 CG GLU A 16 2.621 16.793 -13.450 1.00 51.01 C ATOM 199 CD GLU A 16 1.360 17.536 -13.848 1.00 63.21 C ATOM 200 OE1 GLU A 16 0.857 18.332 -13.027 1.00 62.53 O ATOM 201 OE2 GLU A 16 0.877 17.322 -14.979 1.00 72.42 O ATOM 0 H GLU A 16 5.749 16.621 -13.641 1.00 33.21 H new ATOM 0 HA GLU A 16 4.025 18.705 -14.659 1.00 53.15 H new ATOM 0 HB2 GLU A 16 4.239 17.116 -12.088 1.00 70.20 H new ATOM 0 HB3 GLU A 16 3.136 18.471 -12.227 1.00 70.20 H new ATOM 0 HG2 GLU A 16 3.058 16.328 -14.333 1.00 51.01 H new ATOM 0 HG3 GLU A 16 2.362 15.989 -12.761 1.00 51.01 H new ATOM 208 N ASN A 17 6.089 19.329 -12.142 1.00 1.33 N ATOM 209 CA ASN A 17 6.785 20.400 -11.438 1.00 43.52 C ATOM 210 C ASN A 17 7.539 21.294 -12.418 1.00 4.41 C ATOM 211 O ASN A 17 7.502 22.520 -12.312 1.00 2.44 O ATOM 212 CB ASN A 17 7.757 19.817 -10.411 1.00 64.30 C ATOM 213 CG ASN A 17 7.065 19.416 -9.123 1.00 22.43 C ATOM 214 OD1 ASN A 17 6.866 20.239 -8.229 1.00 45.14 O ATOM 215 ND2 ASN A 17 6.695 18.144 -9.021 1.00 54.53 N ATOM 0 H ASN A 17 6.294 18.392 -11.794 1.00 1.33 H new ATOM 0 HA ASN A 17 6.040 21.005 -10.920 1.00 43.52 H new ATOM 0 HB2 ASN A 17 8.255 18.947 -10.839 1.00 64.30 H new ATOM 0 HB3 ASN A 17 8.532 20.551 -10.191 1.00 64.30 H new ATOM 0 HD21 ASN A 17 6.226 17.815 -8.177 1.00 54.53 H new ATOM 0 HD22 ASN A 17 6.880 17.496 -9.787 1.00 54.53 H new ATOM 222 N VAL A 18 8.223 20.672 -13.373 1.00 23.23 N ATOM 223 CA VAL A 18 8.985 21.410 -14.373 1.00 0.21 C ATOM 224 C VAL A 18 8.095 22.390 -15.129 1.00 13.24 C ATOM 225 O VAL A 18 8.575 23.370 -15.700 1.00 12.14 O ATOM 226 CB VAL A 18 9.656 20.459 -15.382 1.00 55.43 C ATOM 227 CG1 VAL A 18 10.400 21.250 -16.448 1.00 33.13 C ATOM 228 CG2 VAL A 18 10.594 19.499 -14.667 1.00 35.02 C ATOM 0 H VAL A 18 8.265 19.658 -13.475 1.00 23.23 H new ATOM 0 HA VAL A 18 9.757 21.963 -13.838 1.00 0.21 H new ATOM 0 HB VAL A 18 8.880 19.873 -15.874 1.00 55.43 H new ATOM 0 HG11 VAL A 18 10.868 20.562 -17.152 1.00 33.13 H new ATOM 0 HG12 VAL A 18 9.698 21.892 -16.980 1.00 33.13 H new ATOM 0 HG13 VAL A 18 11.168 21.864 -15.976 1.00 33.13 H new ATOM 0 HG21 VAL A 18 11.059 18.835 -15.395 1.00 35.02 H new ATOM 0 HG22 VAL A 18 11.367 20.065 -14.147 1.00 35.02 H new ATOM 0 HG23 VAL A 18 10.029 18.908 -13.946 1.00 35.02 H new ATOM 238 N THR A 19 6.793 22.120 -15.128 1.00 51.13 N ATOM 239 CA THR A 19 5.834 22.977 -15.814 1.00 43.21 C ATOM 240 C THR A 19 5.227 23.998 -14.858 1.00 62.14 C ATOM 241 O THR A 19 5.174 25.190 -15.159 1.00 62.42 O ATOM 242 CB THR A 19 4.701 22.153 -16.454 1.00 44.04 C ATOM 243 OG1 THR A 19 5.252 21.085 -17.233 1.00 23.22 O ATOM 244 CG2 THR A 19 3.826 23.030 -17.336 1.00 54.41 C ATOM 0 H THR A 19 6.379 21.314 -14.660 1.00 51.13 H new ATOM 0 HA THR A 19 6.382 23.499 -16.599 1.00 43.21 H new ATOM 0 HB THR A 19 4.086 21.740 -15.654 1.00 44.04 H new ATOM 0 HG1 THR A 19 5.438 20.318 -16.652 1.00 23.22 H new ATOM 0 HG21 THR A 19 3.033 22.426 -17.777 1.00 54.41 H new ATOM 0 HG22 THR A 19 3.385 23.825 -16.735 1.00 54.41 H new ATOM 0 HG23 THR A 19 4.432 23.468 -18.129 1.00 54.41 H new ATOM 252 N GLY A 20 4.770 23.522 -13.704 1.00 1.21 N ATOM 253 CA GLY A 20 4.173 24.408 -12.721 1.00 70.42 C ATOM 254 C GLY A 20 5.029 25.628 -12.445 1.00 34.25 C ATOM 255 O GLY A 20 4.540 26.758 -12.477 1.00 43.20 O ATOM 0 H GLY A 20 4.802 22.539 -13.432 1.00 1.21 H new ATOM 0 HA2 GLY A 20 3.192 24.728 -13.073 1.00 70.42 H new ATOM 0 HA3 GLY A 20 4.015 23.861 -11.792 1.00 70.42 H new ATOM 259 N LEU A 21 6.308 25.401 -12.170 1.00 24.02 N ATOM 260 CA LEU A 21 7.235 26.491 -11.884 1.00 55.33 C ATOM 261 C LEU A 21 7.184 27.550 -12.981 1.00 51.11 C ATOM 262 O LEU A 21 7.313 28.745 -12.712 1.00 71.51 O ATOM 263 CB LEU A 21 8.660 25.953 -11.745 1.00 35.03 C ATOM 264 CG LEU A 21 9.136 25.019 -12.858 1.00 21.14 C ATOM 265 CD1 LEU A 21 9.741 25.817 -14.002 1.00 52.21 C ATOM 266 CD2 LEU A 21 10.142 24.014 -12.316 1.00 22.20 C ATOM 0 H LEU A 21 6.728 24.472 -12.139 1.00 24.02 H new ATOM 0 HA LEU A 21 6.935 26.953 -10.943 1.00 55.33 H new ATOM 0 HB2 LEU A 21 9.343 26.800 -11.692 1.00 35.03 H new ATOM 0 HB3 LEU A 21 8.736 25.423 -10.796 1.00 35.03 H new ATOM 0 HG LEU A 21 8.275 24.471 -13.240 1.00 21.14 H new ATOM 0 HD11 LEU A 21 10.074 25.136 -14.785 1.00 52.21 H new ATOM 0 HD12 LEU A 21 8.992 26.497 -14.408 1.00 52.21 H new ATOM 0 HD13 LEU A 21 10.591 26.392 -13.635 1.00 52.21 H new ATOM 0 HD21 LEU A 21 10.470 23.357 -13.122 1.00 22.20 H new ATOM 0 HD22 LEU A 21 11.002 24.544 -11.907 1.00 22.20 H new ATOM 0 HD23 LEU A 21 9.675 23.420 -11.531 1.00 22.20 H new ATOM 278 N VAL A 22 6.993 27.104 -14.219 1.00 0.23 N ATOM 279 CA VAL A 22 6.922 28.013 -15.356 1.00 53.24 C ATOM 280 C VAL A 22 5.780 29.010 -15.192 1.00 42.43 C ATOM 281 O VAL A 22 5.985 30.223 -15.258 1.00 63.42 O ATOM 282 CB VAL A 22 6.731 27.245 -16.678 1.00 25.23 C ATOM 283 CG1 VAL A 22 6.865 28.185 -17.866 1.00 73.22 C ATOM 284 CG2 VAL A 22 7.730 26.102 -16.777 1.00 60.51 C ATOM 0 H VAL A 22 6.885 26.119 -14.459 1.00 0.23 H new ATOM 0 HA VAL A 22 7.869 28.551 -15.390 1.00 53.24 H new ATOM 0 HB VAL A 22 5.726 26.823 -16.692 1.00 25.23 H new ATOM 0 HG11 VAL A 22 6.727 27.625 -18.791 1.00 73.22 H new ATOM 0 HG12 VAL A 22 6.108 28.966 -17.799 1.00 73.22 H new ATOM 0 HG13 VAL A 22 7.856 28.639 -17.861 1.00 73.22 H new ATOM 0 HG21 VAL A 22 7.582 25.570 -17.716 1.00 60.51 H new ATOM 0 HG22 VAL A 22 8.744 26.501 -16.742 1.00 60.51 H new ATOM 0 HG23 VAL A 22 7.581 25.415 -15.944 1.00 60.51 H new ATOM 294 N LYS A 23 4.576 28.492 -14.978 1.00 13.35 N ATOM 295 CA LYS A 23 3.400 29.336 -14.802 1.00 34.04 C ATOM 296 C LYS A 23 3.596 30.308 -13.643 1.00 12.22 C ATOM 297 O LYS A 23 2.960 31.360 -13.588 1.00 54.14 O ATOM 298 CB LYS A 23 2.160 28.473 -14.553 1.00 42.43 C ATOM 299 CG LYS A 23 2.018 27.318 -15.529 1.00 21.33 C ATOM 300 CD LYS A 23 0.673 26.627 -15.383 1.00 34.04 C ATOM 301 CE LYS A 23 -0.274 27.005 -16.512 1.00 3.22 C ATOM 302 NZ LYS A 23 -1.414 26.054 -16.622 1.00 61.32 N ATOM 0 H LYS A 23 4.388 27.491 -14.922 1.00 13.35 H new ATOM 0 HA LYS A 23 3.257 29.912 -15.716 1.00 34.04 H new ATOM 0 HB2 LYS A 23 2.201 28.077 -13.538 1.00 42.43 H new ATOM 0 HB3 LYS A 23 1.272 29.102 -14.615 1.00 42.43 H new ATOM 0 HG2 LYS A 23 2.130 27.686 -16.549 1.00 21.33 H new ATOM 0 HG3 LYS A 23 2.818 26.598 -15.361 1.00 21.33 H new ATOM 0 HD2 LYS A 23 0.817 25.547 -15.374 1.00 34.04 H new ATOM 0 HD3 LYS A 23 0.226 26.897 -14.426 1.00 34.04 H new ATOM 0 HE2 LYS A 23 -0.656 28.012 -16.344 1.00 3.22 H new ATOM 0 HE3 LYS A 23 0.274 27.025 -17.454 1.00 3.22 H new ATOM 0 HZ1 LYS A 23 -2.036 26.346 -17.403 1.00 61.32 H new ATOM 0 HZ2 LYS A 23 -1.051 25.097 -16.808 1.00 61.32 H new ATOM 0 HZ3 LYS A 23 -1.952 26.053 -15.732 1.00 61.32 H new ATOM 316 N ALA A 24 4.481 29.950 -12.719 1.00 23.51 N ATOM 317 CA ALA A 24 4.763 30.792 -11.563 1.00 45.14 C ATOM 318 C ALA A 24 5.417 32.103 -11.987 1.00 1.24 C ATOM 319 O ALA A 24 4.956 33.185 -11.621 1.00 60.33 O ATOM 320 CB ALA A 24 5.652 30.052 -10.575 1.00 64.10 C ATOM 0 H ALA A 24 5.016 29.082 -12.748 1.00 23.51 H new ATOM 0 HA ALA A 24 3.817 31.028 -11.076 1.00 45.14 H new ATOM 0 HB1 ALA A 24 5.854 30.693 -9.717 1.00 64.10 H new ATOM 0 HB2 ALA A 24 5.148 29.146 -10.240 1.00 64.10 H new ATOM 0 HB3 ALA A 24 6.592 29.787 -11.059 1.00 64.10 H new ATOM 326 N VAL A 25 6.494 32.000 -12.758 1.00 44.14 N ATOM 327 CA VAL A 25 7.211 33.178 -13.232 1.00 4.13 C ATOM 328 C VAL A 25 6.283 34.117 -13.994 1.00 63.22 C ATOM 329 O VAL A 25 6.554 35.312 -14.113 1.00 41.20 O ATOM 330 CB VAL A 25 8.391 32.789 -14.142 1.00 62.23 C ATOM 331 CG1 VAL A 25 7.913 32.559 -15.568 1.00 15.33 C ATOM 332 CG2 VAL A 25 9.472 33.858 -14.100 1.00 10.53 C ATOM 0 H VAL A 25 6.890 31.113 -13.068 1.00 44.14 H new ATOM 0 HA VAL A 25 7.596 33.690 -12.350 1.00 4.13 H new ATOM 0 HB VAL A 25 8.819 31.857 -13.773 1.00 62.23 H new ATOM 0 HG11 VAL A 25 8.761 32.285 -16.196 1.00 15.33 H new ATOM 0 HG12 VAL A 25 7.178 31.755 -15.580 1.00 15.33 H new ATOM 0 HG13 VAL A 25 7.458 33.472 -15.951 1.00 15.33 H new ATOM 0 HG21 VAL A 25 10.298 33.566 -14.749 1.00 10.53 H new ATOM 0 HG22 VAL A 25 9.059 34.807 -14.443 1.00 10.53 H new ATOM 0 HG23 VAL A 25 9.835 33.968 -13.078 1.00 10.53 H new ATOM 342 N ILE A 26 5.188 33.568 -14.509 1.00 21.04 N ATOM 343 CA ILE A 26 4.219 34.357 -15.259 1.00 13.05 C ATOM 344 C ILE A 26 3.331 35.171 -14.323 1.00 72.41 C ATOM 345 O ILE A 26 3.155 36.374 -14.510 1.00 3.15 O ATOM 346 CB ILE A 26 3.330 33.464 -16.144 1.00 31.31 C ATOM 347 CG1 ILE A 26 4.191 32.488 -16.948 1.00 71.52 C ATOM 348 CG2 ILE A 26 2.479 34.317 -17.073 1.00 3.34 C ATOM 349 CD1 ILE A 26 3.387 31.556 -17.828 1.00 52.33 C ATOM 0 H ILE A 26 4.950 32.580 -14.421 1.00 21.04 H new ATOM 0 HA ILE A 26 4.788 35.034 -15.896 1.00 13.05 H new ATOM 0 HB ILE A 26 2.665 32.888 -15.501 1.00 31.31 H new ATOM 0 HG12 ILE A 26 4.884 33.055 -17.570 1.00 71.52 H new ATOM 0 HG13 ILE A 26 4.793 31.895 -16.259 1.00 71.52 H new ATOM 0 HG21 ILE A 26 1.856 33.671 -17.692 1.00 3.34 H new ATOM 0 HG22 ILE A 26 1.843 34.976 -16.482 1.00 3.34 H new ATOM 0 HG23 ILE A 26 3.127 34.917 -17.712 1.00 3.34 H new ATOM 0 HD11 ILE A 26 4.062 30.893 -18.368 1.00 52.33 H new ATOM 0 HD12 ILE A 26 2.713 30.963 -17.210 1.00 52.33 H new ATOM 0 HD13 ILE A 26 2.805 32.140 -18.541 1.00 52.33 H new ATOM 361 N GLU A 27 2.775 34.505 -13.316 1.00 33.32 N ATOM 362 CA GLU A 27 1.906 35.167 -12.350 1.00 54.24 C ATOM 363 C GLU A 27 2.578 36.411 -11.777 1.00 10.21 C ATOM 364 O GLU A 27 2.074 37.524 -11.921 1.00 52.44 O ATOM 365 CB GLU A 27 1.537 34.206 -11.219 1.00 30.43 C ATOM 366 CG GLU A 27 0.041 33.989 -11.067 1.00 73.44 C ATOM 367 CD GLU A 27 -0.741 35.288 -11.072 1.00 43.15 C ATOM 368 OE1 GLU A 27 -0.293 36.253 -10.419 1.00 4.10 O ATOM 369 OE2 GLU A 27 -1.801 35.340 -11.731 1.00 22.52 O ATOM 0 H GLU A 27 2.911 33.508 -13.148 1.00 33.32 H new ATOM 0 HA GLU A 27 0.997 35.472 -12.868 1.00 54.24 H new ATOM 0 HB2 GLU A 27 2.018 33.245 -11.399 1.00 30.43 H new ATOM 0 HB3 GLU A 27 1.937 34.592 -10.281 1.00 30.43 H new ATOM 0 HG2 GLU A 27 -0.314 33.353 -11.878 1.00 73.44 H new ATOM 0 HG3 GLU A 27 -0.152 33.457 -10.136 1.00 73.44 H new ATOM 376 N MET A 28 3.719 36.213 -11.125 1.00 61.53 N ATOM 377 CA MET A 28 4.461 37.318 -10.530 1.00 63.12 C ATOM 378 C MET A 28 4.795 38.375 -11.578 1.00 50.10 C ATOM 379 O MET A 28 4.618 39.571 -11.345 1.00 24.20 O ATOM 380 CB MET A 28 5.747 36.805 -9.879 1.00 21.11 C ATOM 381 CG MET A 28 6.612 35.974 -10.813 1.00 32.00 C ATOM 382 SD MET A 28 8.006 35.204 -9.968 1.00 2.33 S ATOM 383 CE MET A 28 7.261 33.674 -9.409 1.00 51.42 C ATOM 0 H MET A 28 4.150 35.298 -10.995 1.00 61.53 H new ATOM 0 HA MET A 28 3.833 37.775 -9.766 1.00 63.12 H new ATOM 0 HB2 MET A 28 6.327 37.655 -9.520 1.00 21.11 H new ATOM 0 HB3 MET A 28 5.488 36.205 -9.007 1.00 21.11 H new ATOM 0 HG2 MET A 28 6.000 35.200 -11.276 1.00 32.00 H new ATOM 0 HG3 MET A 28 6.985 36.608 -11.617 1.00 32.00 H new ATOM 0 HE1 MET A 28 7.680 33.398 -8.441 1.00 51.42 H new ATOM 0 HE2 MET A 28 6.183 33.808 -9.313 1.00 51.42 H new ATOM 0 HE3 MET A 28 7.466 32.884 -10.132 1.00 51.42 H new ATOM 393 N SER A 29 5.278 37.926 -12.732 1.00 43.31 N ATOM 394 CA SER A 29 5.641 38.834 -13.814 1.00 15.51 C ATOM 395 C SER A 29 4.431 39.645 -14.271 1.00 62.40 C ATOM 396 O SER A 29 4.574 40.694 -14.899 1.00 23.23 O ATOM 397 CB SER A 29 6.219 38.051 -14.994 1.00 23.04 C ATOM 398 OG SER A 29 6.398 38.888 -16.123 1.00 70.11 O ATOM 0 H SER A 29 5.427 36.939 -12.942 1.00 43.31 H new ATOM 0 HA SER A 29 6.398 39.522 -13.439 1.00 15.51 H new ATOM 0 HB2 SER A 29 7.174 37.610 -14.709 1.00 23.04 H new ATOM 0 HB3 SER A 29 5.552 37.228 -15.250 1.00 23.04 H new ATOM 0 HG SER A 29 6.770 38.364 -16.863 1.00 70.11 H new ATOM 404 N SER A 30 3.240 39.149 -13.951 1.00 51.23 N ATOM 405 CA SER A 30 2.004 39.824 -14.332 1.00 24.12 C ATOM 406 C SER A 30 1.769 41.056 -13.464 1.00 11.32 C ATOM 407 O SER A 30 1.686 42.177 -13.966 1.00 13.43 O ATOM 408 CB SER A 30 0.817 38.866 -14.211 1.00 4.34 C ATOM 409 OG SER A 30 -0.015 38.939 -15.355 1.00 14.02 O ATOM 0 H SER A 30 3.104 38.283 -13.429 1.00 51.23 H new ATOM 0 HA SER A 30 2.098 40.145 -15.369 1.00 24.12 H new ATOM 0 HB2 SER A 30 1.180 37.846 -14.086 1.00 4.34 H new ATOM 0 HB3 SER A 30 0.238 39.110 -13.320 1.00 4.34 H new ATOM 0 HG SER A 30 -0.765 38.316 -15.254 1.00 14.02 H new ATOM 415 N LYS A 31 1.662 40.840 -12.157 1.00 40.12 N ATOM 416 CA LYS A 31 1.437 41.931 -11.217 1.00 3.25 C ATOM 417 C LYS A 31 2.736 42.325 -10.520 1.00 51.52 C ATOM 418 O LYS A 31 2.724 42.779 -9.375 1.00 61.43 O ATOM 419 CB LYS A 31 0.390 41.527 -10.176 1.00 4.41 C ATOM 420 CG LYS A 31 0.677 40.192 -9.512 1.00 32.24 C ATOM 421 CD LYS A 31 0.113 40.138 -8.102 1.00 34.12 C ATOM 422 CE LYS A 31 0.673 38.958 -7.322 1.00 54.11 C ATOM 423 NZ LYS A 31 -0.402 38.180 -6.646 1.00 61.41 N ATOM 0 H LYS A 31 1.728 39.918 -11.725 1.00 40.12 H new ATOM 0 HA LYS A 31 1.070 42.791 -11.778 1.00 3.25 H new ATOM 0 HB2 LYS A 31 0.335 42.300 -9.410 1.00 4.41 H new ATOM 0 HB3 LYS A 31 -0.588 41.482 -10.655 1.00 4.41 H new ATOM 0 HG2 LYS A 31 0.246 39.388 -10.108 1.00 32.24 H new ATOM 0 HG3 LYS A 31 1.754 40.024 -9.481 1.00 32.24 H new ATOM 0 HD2 LYS A 31 0.348 41.065 -7.579 1.00 34.12 H new ATOM 0 HD3 LYS A 31 -0.974 40.063 -8.146 1.00 34.12 H new ATOM 0 HE2 LYS A 31 1.224 38.304 -7.998 1.00 54.11 H new ATOM 0 HE3 LYS A 31 1.383 39.319 -6.578 1.00 54.11 H new ATOM 0 HZ1 LYS A 31 0.020 37.385 -6.125 1.00 61.41 H new ATOM 0 HZ2 LYS A 31 -0.912 38.797 -5.982 1.00 61.41 H new ATOM 0 HZ3 LYS A 31 -1.066 37.814 -7.358 1.00 61.41 H new ATOM 437 N ILE A 32 3.853 42.151 -11.219 1.00 12.45 N ATOM 438 CA ILE A 32 5.159 42.492 -10.667 1.00 75.24 C ATOM 439 C ILE A 32 5.241 43.975 -10.324 1.00 54.31 C ATOM 440 O ILE A 32 5.793 44.353 -9.291 1.00 54.11 O ATOM 441 CB ILE A 32 6.293 42.140 -11.648 1.00 74.22 C ATOM 442 CG1 ILE A 32 7.647 42.543 -11.061 1.00 61.45 C ATOM 443 CG2 ILE A 32 6.065 42.823 -12.988 1.00 43.51 C ATOM 444 CD1 ILE A 32 7.973 41.845 -9.759 1.00 40.23 C ATOM 0 H ILE A 32 3.880 41.776 -12.167 1.00 12.45 H new ATOM 0 HA ILE A 32 5.280 41.904 -9.757 1.00 75.24 H new ATOM 0 HB ILE A 32 6.294 41.062 -11.808 1.00 74.22 H new ATOM 0 HG12 ILE A 32 8.429 42.323 -11.788 1.00 61.45 H new ATOM 0 HG13 ILE A 32 7.657 43.621 -10.899 1.00 61.45 H new ATOM 0 HG21 ILE A 32 6.875 42.565 -13.671 1.00 43.51 H new ATOM 0 HG22 ILE A 32 5.116 42.491 -13.409 1.00 43.51 H new ATOM 0 HG23 ILE A 32 6.041 43.903 -12.846 1.00 43.51 H new ATOM 0 HD11 ILE A 32 8.947 42.179 -9.401 1.00 40.23 H new ATOM 0 HD12 ILE A 32 7.212 42.085 -9.017 1.00 40.23 H new ATOM 0 HD13 ILE A 32 7.996 40.767 -9.920 1.00 40.23 H new ATOM 456 N GLN A 33 4.686 44.811 -11.197 1.00 22.53 N ATOM 457 CA GLN A 33 4.696 46.253 -10.985 1.00 0.12 C ATOM 458 C GLN A 33 3.941 46.621 -9.712 1.00 3.52 C ATOM 459 O GLN A 33 4.500 47.188 -8.772 1.00 34.42 O ATOM 460 CB GLN A 33 4.076 46.970 -12.185 1.00 52.41 C ATOM 461 CG GLN A 33 5.100 47.622 -13.100 1.00 50.21 C ATOM 462 CD GLN A 33 5.503 46.728 -14.256 1.00 21.32 C ATOM 463 OE1 GLN A 33 4.658 46.267 -15.023 1.00 73.52 O ATOM 464 NE2 GLN A 33 6.801 46.477 -14.386 1.00 54.43 N ATOM 0 H GLN A 33 4.224 44.514 -12.057 1.00 22.53 H new ATOM 0 HA GLN A 33 5.733 46.572 -10.876 1.00 0.12 H new ATOM 0 HB2 GLN A 33 3.489 46.255 -12.761 1.00 52.41 H new ATOM 0 HB3 GLN A 33 3.385 47.732 -11.825 1.00 52.41 H new ATOM 0 HG2 GLN A 33 4.691 48.553 -13.492 1.00 50.21 H new ATOM 0 HG3 GLN A 33 5.986 47.882 -12.521 1.00 50.21 H new ATOM 0 HE21 GLN A 33 7.467 46.880 -13.727 1.00 54.43 H new ATOM 0 HE22 GLN A 33 7.132 45.881 -15.145 1.00 54.43 H new ATOM 473 N PRO A 34 2.641 46.294 -9.678 1.00 60.04 N ATOM 474 CA PRO A 34 1.782 46.581 -8.526 1.00 32.11 C ATOM 475 C PRO A 34 2.130 45.722 -7.315 1.00 71.21 C ATOM 476 O PRO A 34 1.601 45.928 -6.223 1.00 42.22 O ATOM 477 CB PRO A 34 0.379 46.242 -9.036 1.00 50.23 C ATOM 478 CG PRO A 34 0.601 45.247 -10.122 1.00 60.40 C ATOM 479 CD PRO A 34 1.910 45.618 -10.763 1.00 33.20 C ATOM 0 HA PRO A 34 1.889 47.611 -8.185 1.00 32.11 H new ATOM 0 HB2 PRO A 34 -0.242 45.829 -8.241 1.00 50.23 H new ATOM 0 HB3 PRO A 34 -0.131 47.129 -9.410 1.00 50.23 H new ATOM 0 HG2 PRO A 34 0.636 44.234 -9.722 1.00 60.40 H new ATOM 0 HG3 PRO A 34 -0.211 45.275 -10.849 1.00 60.40 H new ATOM 0 HD2 PRO A 34 2.445 44.739 -11.122 1.00 33.20 H new ATOM 0 HD3 PRO A 34 1.766 46.275 -11.621 1.00 33.20 H new ATOM 487 N ALA A 35 3.023 44.758 -7.516 1.00 52.21 N ATOM 488 CA ALA A 35 3.443 43.870 -6.440 1.00 21.42 C ATOM 489 C ALA A 35 3.783 44.657 -5.179 1.00 10.00 C ATOM 490 O ALA A 35 4.812 45.328 -5.095 1.00 71.15 O ATOM 491 CB ALA A 35 4.636 43.034 -6.881 1.00 1.45 C ATOM 0 H ALA A 35 3.469 44.573 -8.414 1.00 52.21 H new ATOM 0 HA ALA A 35 2.612 43.204 -6.207 1.00 21.42 H new ATOM 0 HB1 ALA A 35 4.939 42.375 -6.067 1.00 1.45 H new ATOM 0 HB2 ALA A 35 4.360 42.435 -7.749 1.00 1.45 H new ATOM 0 HB3 ALA A 35 5.465 43.692 -7.143 1.00 1.45 H new ATOM 497 N PRO A 36 2.899 44.576 -4.173 1.00 60.14 N ATOM 498 CA PRO A 36 3.084 45.275 -2.898 1.00 41.14 C ATOM 499 C PRO A 36 4.224 44.686 -2.074 1.00 72.13 C ATOM 500 O PRO A 36 4.746 43.612 -2.372 1.00 23.40 O ATOM 501 CB PRO A 36 1.746 45.070 -2.184 1.00 0.11 C ATOM 502 CG PRO A 36 1.190 43.820 -2.772 1.00 70.45 C ATOM 503 CD PRO A 36 1.651 43.795 -4.204 1.00 20.14 C ATOM 0 HA PRO A 36 3.350 46.322 -3.042 1.00 41.14 H new ATOM 0 HB2 PRO A 36 1.883 44.974 -1.107 1.00 0.11 H new ATOM 0 HB3 PRO A 36 1.077 45.915 -2.346 1.00 0.11 H new ATOM 0 HG2 PRO A 36 1.546 42.943 -2.232 1.00 70.45 H new ATOM 0 HG3 PRO A 36 0.102 43.811 -2.712 1.00 70.45 H new ATOM 0 HD2 PRO A 36 1.822 42.777 -4.553 1.00 20.14 H new ATOM 0 HD3 PRO A 36 0.914 44.241 -4.872 1.00 20.14 H new ATOM 511 N PRO A 37 4.620 45.403 -1.012 1.00 52.44 N ATOM 512 CA PRO A 37 5.701 44.970 -0.123 1.00 23.21 C ATOM 513 C PRO A 37 5.310 43.759 0.718 1.00 43.13 C ATOM 514 O PRO A 37 6.171 43.047 1.234 1.00 10.53 O ATOM 515 CB PRO A 37 5.935 46.189 0.772 1.00 13.43 C ATOM 516 CG PRO A 37 4.636 46.919 0.765 1.00 52.04 C ATOM 517 CD PRO A 37 4.042 46.693 -0.598 1.00 72.21 C ATOM 0 HA PRO A 37 6.585 44.657 -0.679 1.00 23.21 H new ATOM 0 HB2 PRO A 37 6.216 45.891 1.782 1.00 13.43 H new ATOM 0 HB3 PRO A 37 6.742 46.813 0.388 1.00 13.43 H new ATOM 0 HG2 PRO A 37 3.974 46.545 1.546 1.00 52.04 H new ATOM 0 HG3 PRO A 37 4.785 47.982 0.955 1.00 52.04 H new ATOM 0 HD2 PRO A 37 2.953 46.652 -0.560 1.00 72.21 H new ATOM 0 HD3 PRO A 37 4.307 47.493 -1.290 1.00 72.21 H new ATOM 525 N GLU A 38 4.007 43.532 0.850 1.00 62.24 N ATOM 526 CA GLU A 38 3.504 42.406 1.628 1.00 13.54 C ATOM 527 C GLU A 38 3.430 41.144 0.775 1.00 65.41 C ATOM 528 O GLU A 38 3.356 40.032 1.298 1.00 4.53 O ATOM 529 CB GLU A 38 2.122 42.730 2.199 1.00 15.32 C ATOM 530 CG GLU A 38 2.082 42.761 3.718 1.00 41.12 C ATOM 531 CD GLU A 38 2.141 44.170 4.274 1.00 2.44 C ATOM 532 OE1 GLU A 38 2.679 45.060 3.583 1.00 53.13 O ATOM 533 OE2 GLU A 38 1.649 44.383 5.403 1.00 41.15 O ATOM 0 H GLU A 38 3.281 44.112 0.429 1.00 62.24 H new ATOM 0 HA GLU A 38 4.197 42.227 2.450 1.00 13.54 H new ATOM 0 HB2 GLU A 38 1.798 43.698 1.816 1.00 15.32 H new ATOM 0 HB3 GLU A 38 1.407 41.989 1.840 1.00 15.32 H new ATOM 0 HG2 GLU A 38 1.169 42.276 4.064 1.00 41.12 H new ATOM 0 HG3 GLU A 38 2.919 42.184 4.112 1.00 41.12 H new ATOM 540 N GLU A 39 3.451 41.324 -0.542 1.00 43.30 N ATOM 541 CA GLU A 39 3.386 40.200 -1.468 1.00 33.42 C ATOM 542 C GLU A 39 4.783 39.679 -1.792 1.00 3.43 C ATOM 543 O GLU A 39 4.938 38.686 -2.502 1.00 24.53 O ATOM 544 CB GLU A 39 2.672 40.612 -2.757 1.00 11.32 C ATOM 545 CG GLU A 39 1.163 40.441 -2.699 1.00 2.35 C ATOM 546 CD GLU A 39 0.737 38.989 -2.787 1.00 71.23 C ATOM 547 OE1 GLU A 39 1.598 38.105 -2.598 1.00 71.51 O ATOM 548 OE2 GLU A 39 -0.459 38.737 -3.046 1.00 23.12 O ATOM 0 H GLU A 39 3.513 42.238 -0.991 1.00 43.30 H new ATOM 0 HA GLU A 39 2.821 39.401 -0.988 1.00 33.42 H new ATOM 0 HB2 GLU A 39 2.903 41.655 -2.973 1.00 11.32 H new ATOM 0 HB3 GLU A 39 3.065 40.021 -3.585 1.00 11.32 H new ATOM 0 HG2 GLU A 39 0.788 40.870 -1.770 1.00 2.35 H new ATOM 0 HG3 GLU A 39 0.706 41.000 -3.516 1.00 2.35 H new ATOM 555 N TYR A 40 5.797 40.358 -1.267 1.00 0.43 N ATOM 556 CA TYR A 40 7.182 39.968 -1.502 1.00 31.43 C ATOM 557 C TYR A 40 7.556 38.753 -0.657 1.00 42.41 C ATOM 558 O TYR A 40 8.381 37.933 -1.059 1.00 43.02 O ATOM 559 CB TYR A 40 8.123 41.132 -1.187 1.00 31.45 C ATOM 560 CG TYR A 40 8.931 41.596 -2.377 1.00 10.41 C ATOM 561 CD1 TYR A 40 9.617 40.687 -3.173 1.00 2.30 C ATOM 562 CD2 TYR A 40 9.009 42.944 -2.705 1.00 43.12 C ATOM 563 CE1 TYR A 40 10.357 41.107 -4.261 1.00 44.22 C ATOM 564 CE2 TYR A 40 9.746 43.373 -3.792 1.00 71.23 C ATOM 565 CZ TYR A 40 10.418 42.451 -4.567 1.00 62.21 C ATOM 566 OH TYR A 40 11.154 42.874 -5.650 1.00 42.11 O ATOM 0 H TYR A 40 5.686 41.182 -0.676 1.00 0.43 H new ATOM 0 HA TYR A 40 7.285 39.702 -2.554 1.00 31.43 H new ATOM 0 HB2 TYR A 40 7.537 41.969 -0.807 1.00 31.45 H new ATOM 0 HB3 TYR A 40 8.804 40.832 -0.391 1.00 31.45 H new ATOM 0 HD1 TYR A 40 9.571 39.634 -2.937 1.00 2.30 H new ATOM 0 HD2 TYR A 40 8.485 43.669 -2.100 1.00 43.12 H new ATOM 0 HE1 TYR A 40 10.885 40.387 -4.869 1.00 44.22 H new ATOM 0 HE2 TYR A 40 9.796 44.424 -4.034 1.00 71.23 H new ATOM 0 HH TYR A 40 11.366 42.107 -6.222 1.00 42.11 H new ATOM 576 N VAL A 41 6.942 38.646 0.517 1.00 23.50 N ATOM 577 CA VAL A 41 7.208 37.532 1.419 1.00 22.53 C ATOM 578 C VAL A 41 6.849 36.200 0.769 1.00 4.12 C ATOM 579 O VAL A 41 7.680 35.301 0.637 1.00 4.35 O ATOM 580 CB VAL A 41 6.422 37.676 2.736 1.00 22.20 C ATOM 581 CG1 VAL A 41 6.080 36.308 3.306 1.00 21.25 C ATOM 582 CG2 VAL A 41 7.214 38.499 3.741 1.00 33.10 C ATOM 0 H VAL A 41 6.257 39.317 0.865 1.00 23.50 H new ATOM 0 HA VAL A 41 8.276 37.550 1.638 1.00 22.53 H new ATOM 0 HB VAL A 41 5.489 38.199 2.527 1.00 22.20 H new ATOM 0 HG11 VAL A 41 5.525 36.430 4.236 1.00 21.25 H new ATOM 0 HG12 VAL A 41 5.471 35.757 2.589 1.00 21.25 H new ATOM 0 HG13 VAL A 41 6.999 35.755 3.502 1.00 21.25 H new ATOM 0 HG21 VAL A 41 6.644 38.591 4.666 1.00 33.10 H new ATOM 0 HG22 VAL A 41 8.164 38.005 3.948 1.00 33.10 H new ATOM 0 HG23 VAL A 41 7.402 39.491 3.331 1.00 33.10 H new ATOM 592 N PRO A 42 5.582 36.068 0.352 1.00 54.24 N ATOM 593 CA PRO A 42 5.083 34.850 -0.293 1.00 63.23 C ATOM 594 C PRO A 42 5.667 34.652 -1.688 1.00 54.12 C ATOM 595 O PRO A 42 5.834 33.522 -2.147 1.00 13.43 O ATOM 596 CB PRO A 42 3.573 35.083 -0.374 1.00 14.44 C ATOM 597 CG PRO A 42 3.418 36.565 -0.374 1.00 51.14 C ATOM 598 CD PRO A 42 4.537 37.099 0.476 1.00 21.33 C ATOM 0 HA PRO A 42 5.360 33.953 0.261 1.00 63.23 H new ATOM 0 HB2 PRO A 42 3.152 34.641 -1.277 1.00 14.44 H new ATOM 0 HB3 PRO A 42 3.057 34.631 0.473 1.00 14.44 H new ATOM 0 HG2 PRO A 42 3.474 36.963 -1.387 1.00 51.14 H new ATOM 0 HG3 PRO A 42 2.448 36.856 0.030 1.00 51.14 H new ATOM 0 HD2 PRO A 42 4.885 38.069 0.120 1.00 21.33 H new ATOM 0 HD3 PRO A 42 4.226 37.233 1.512 1.00 21.33 H new ATOM 606 N MET A 43 5.975 35.758 -2.358 1.00 32.11 N ATOM 607 CA MET A 43 6.541 35.705 -3.701 1.00 23.24 C ATOM 608 C MET A 43 7.752 34.778 -3.744 1.00 31.34 C ATOM 609 O MET A 43 7.806 33.848 -4.549 1.00 0.11 O ATOM 610 CB MET A 43 6.941 37.107 -4.164 1.00 63.23 C ATOM 611 CG MET A 43 6.053 37.659 -5.267 1.00 72.43 C ATOM 612 SD MET A 43 6.996 38.399 -6.614 1.00 1.54 S ATOM 613 CE MET A 43 6.723 40.142 -6.300 1.00 32.42 C ATOM 0 H MET A 43 5.842 36.701 -1.993 1.00 32.11 H new ATOM 0 HA MET A 43 5.780 35.311 -4.374 1.00 23.24 H new ATOM 0 HB2 MET A 43 6.911 37.785 -3.311 1.00 63.23 H new ATOM 0 HB3 MET A 43 7.972 37.084 -4.516 1.00 63.23 H new ATOM 0 HG2 MET A 43 5.431 36.856 -5.663 1.00 72.43 H new ATOM 0 HG3 MET A 43 5.380 38.406 -4.846 1.00 72.43 H new ATOM 0 HE1 MET A 43 7.656 40.688 -6.443 1.00 32.42 H new ATOM 0 HE2 MET A 43 5.970 40.523 -6.990 1.00 32.42 H new ATOM 0 HE3 MET A 43 6.377 40.277 -5.275 1.00 32.42 H new ATOM 623 N VAL A 44 8.722 35.037 -2.872 1.00 73.12 N ATOM 624 CA VAL A 44 9.931 34.225 -2.810 1.00 41.15 C ATOM 625 C VAL A 44 9.598 32.764 -2.532 1.00 24.33 C ATOM 626 O VAL A 44 10.256 31.857 -3.043 1.00 22.14 O ATOM 627 CB VAL A 44 10.896 34.737 -1.724 1.00 72.22 C ATOM 628 CG1 VAL A 44 12.133 33.855 -1.650 1.00 33.23 C ATOM 629 CG2 VAL A 44 11.279 36.185 -1.991 1.00 75.33 C ATOM 0 H VAL A 44 8.694 35.803 -2.199 1.00 73.12 H new ATOM 0 HA VAL A 44 10.416 34.305 -3.783 1.00 41.15 H new ATOM 0 HB VAL A 44 10.388 34.691 -0.761 1.00 72.22 H new ATOM 0 HG11 VAL A 44 12.803 34.232 -0.877 1.00 33.23 H new ATOM 0 HG12 VAL A 44 11.838 32.834 -1.408 1.00 33.23 H new ATOM 0 HG13 VAL A 44 12.646 33.866 -2.612 1.00 33.23 H new ATOM 0 HG21 VAL A 44 11.961 36.530 -1.214 1.00 75.33 H new ATOM 0 HG22 VAL A 44 11.768 36.259 -2.962 1.00 75.33 H new ATOM 0 HG23 VAL A 44 10.382 36.805 -1.988 1.00 75.33 H new ATOM 639 N LYS A 45 8.572 32.541 -1.718 1.00 1.23 N ATOM 640 CA LYS A 45 8.149 31.190 -1.371 1.00 31.30 C ATOM 641 C LYS A 45 7.858 30.372 -2.625 1.00 65.23 C ATOM 642 O LYS A 45 8.161 29.180 -2.684 1.00 13.55 O ATOM 643 CB LYS A 45 6.906 31.235 -0.480 1.00 14.32 C ATOM 644 CG LYS A 45 7.131 30.662 0.908 1.00 31.25 C ATOM 645 CD LYS A 45 7.386 31.758 1.930 1.00 61.52 C ATOM 646 CE LYS A 45 8.209 31.246 3.102 1.00 2.11 C ATOM 647 NZ LYS A 45 8.188 32.194 4.250 1.00 3.31 N ATOM 0 H LYS A 45 8.017 33.280 -1.286 1.00 1.23 H new ATOM 0 HA LYS A 45 8.962 30.711 -0.826 1.00 31.30 H new ATOM 0 HB2 LYS A 45 6.573 32.269 -0.387 1.00 14.32 H new ATOM 0 HB3 LYS A 45 6.101 30.683 -0.966 1.00 14.32 H new ATOM 0 HG2 LYS A 45 6.260 30.080 1.208 1.00 31.25 H new ATOM 0 HG3 LYS A 45 7.980 29.978 0.887 1.00 31.25 H new ATOM 0 HD2 LYS A 45 7.907 32.588 1.453 1.00 61.52 H new ATOM 0 HD3 LYS A 45 6.435 32.146 2.294 1.00 61.52 H new ATOM 0 HE2 LYS A 45 7.822 30.279 3.423 1.00 2.11 H new ATOM 0 HE3 LYS A 45 9.238 31.087 2.781 1.00 2.11 H new ATOM 0 HZ1 LYS A 45 9.163 32.398 4.549 1.00 3.31 H new ATOM 0 HZ2 LYS A 45 7.722 33.078 3.962 1.00 3.31 H new ATOM 0 HZ3 LYS A 45 7.665 31.769 5.042 1.00 3.31 H new ATOM 661 N GLU A 46 7.272 31.020 -3.627 1.00 11.33 N ATOM 662 CA GLU A 46 6.942 30.352 -4.880 1.00 21.42 C ATOM 663 C GLU A 46 8.206 30.006 -5.661 1.00 65.12 C ATOM 664 O GLU A 46 8.376 28.877 -6.122 1.00 72.01 O ATOM 665 CB GLU A 46 6.029 31.237 -5.731 1.00 64.21 C ATOM 666 CG GLU A 46 4.757 31.663 -5.018 1.00 5.53 C ATOM 667 CD GLU A 46 3.961 32.684 -5.806 1.00 53.54 C ATOM 668 OE1 GLU A 46 3.639 32.408 -6.981 1.00 2.31 O ATOM 669 OE2 GLU A 46 3.658 33.760 -5.248 1.00 45.02 O ATOM 0 H GLU A 46 7.016 32.007 -3.595 1.00 11.33 H new ATOM 0 HA GLU A 46 6.418 29.426 -4.642 1.00 21.42 H new ATOM 0 HB2 GLU A 46 6.580 32.127 -6.035 1.00 64.21 H new ATOM 0 HB3 GLU A 46 5.763 30.700 -6.642 1.00 64.21 H new ATOM 0 HG2 GLU A 46 4.136 30.786 -4.836 1.00 5.53 H new ATOM 0 HG3 GLU A 46 5.013 32.080 -4.044 1.00 5.53 H new ATOM 676 N VAL A 47 9.092 30.987 -5.807 1.00 30.43 N ATOM 677 CA VAL A 47 10.341 30.787 -6.531 1.00 43.44 C ATOM 678 C VAL A 47 11.194 29.711 -5.870 1.00 63.53 C ATOM 679 O VAL A 47 11.733 28.832 -6.542 1.00 25.24 O ATOM 680 CB VAL A 47 11.156 32.092 -6.616 1.00 14.14 C ATOM 681 CG1 VAL A 47 12.409 31.887 -7.453 1.00 74.40 C ATOM 682 CG2 VAL A 47 10.303 33.216 -7.184 1.00 53.12 C ATOM 0 H VAL A 47 8.967 31.928 -5.433 1.00 30.43 H new ATOM 0 HA VAL A 47 10.074 30.467 -7.538 1.00 43.44 H new ATOM 0 HB VAL A 47 11.464 32.373 -5.609 1.00 14.14 H new ATOM 0 HG11 VAL A 47 12.971 32.820 -7.501 1.00 74.40 H new ATOM 0 HG12 VAL A 47 13.028 31.114 -6.998 1.00 74.40 H new ATOM 0 HG13 VAL A 47 12.127 31.581 -8.460 1.00 74.40 H new ATOM 0 HG21 VAL A 47 10.894 34.130 -7.237 1.00 53.12 H new ATOM 0 HG22 VAL A 47 9.963 32.945 -8.184 1.00 53.12 H new ATOM 0 HG23 VAL A 47 9.440 33.379 -6.539 1.00 53.12 H new ATOM 692 N GLY A 48 11.312 29.785 -4.548 1.00 10.21 N ATOM 693 CA GLY A 48 12.101 28.811 -3.817 1.00 73.52 C ATOM 694 C GLY A 48 11.562 27.401 -3.964 1.00 11.31 C ATOM 695 O GLY A 48 12.323 26.433 -3.949 1.00 31.24 O ATOM 0 H GLY A 48 10.875 30.503 -3.970 1.00 10.21 H new ATOM 0 HA2 GLY A 48 13.131 28.842 -4.172 1.00 73.52 H new ATOM 0 HA3 GLY A 48 12.120 29.081 -2.761 1.00 73.52 H new ATOM 699 N LEU A 49 10.246 27.284 -4.105 1.00 2.53 N ATOM 700 CA LEU A 49 9.605 25.982 -4.253 1.00 42.41 C ATOM 701 C LEU A 49 10.069 25.289 -5.530 1.00 43.42 C ATOM 702 O LEU A 49 10.424 24.111 -5.515 1.00 10.11 O ATOM 703 CB LEU A 49 8.084 26.140 -4.269 1.00 33.23 C ATOM 704 CG LEU A 49 7.274 24.857 -4.079 1.00 22.40 C ATOM 705 CD1 LEU A 49 6.917 24.663 -2.614 1.00 30.54 C ATOM 706 CD2 LEU A 49 6.018 24.887 -4.937 1.00 34.03 C ATOM 0 H LEU A 49 9.602 28.075 -4.120 1.00 2.53 H new ATOM 0 HA LEU A 49 9.891 25.364 -3.402 1.00 42.41 H new ATOM 0 HB2 LEU A 49 7.803 26.843 -3.484 1.00 33.23 H new ATOM 0 HB3 LEU A 49 7.796 26.591 -5.219 1.00 33.23 H new ATOM 0 HG LEU A 49 7.886 24.013 -4.397 1.00 22.40 H new ATOM 0 HD11 LEU A 49 6.341 23.745 -2.498 1.00 30.54 H new ATOM 0 HD12 LEU A 49 7.830 24.595 -2.023 1.00 30.54 H new ATOM 0 HD13 LEU A 49 6.324 25.510 -2.269 1.00 30.54 H new ATOM 0 HD21 LEU A 49 5.454 23.966 -4.789 1.00 34.03 H new ATOM 0 HD22 LEU A 49 5.402 25.740 -4.651 1.00 34.03 H new ATOM 0 HD23 LEU A 49 6.297 24.977 -5.987 1.00 34.03 H new ATOM 718 N ALA A 50 10.066 26.030 -6.634 1.00 31.22 N ATOM 719 CA ALA A 50 10.491 25.488 -7.919 1.00 35.14 C ATOM 720 C ALA A 50 11.957 25.072 -7.881 1.00 43.44 C ATOM 721 O ALA A 50 12.326 24.012 -8.389 1.00 0.32 O ATOM 722 CB ALA A 50 10.256 26.506 -9.024 1.00 43.34 C ATOM 0 H ALA A 50 9.774 27.007 -6.664 1.00 31.22 H new ATOM 0 HA ALA A 50 9.895 24.600 -8.127 1.00 35.14 H new ATOM 0 HB1 ALA A 50 10.578 26.088 -9.978 1.00 43.34 H new ATOM 0 HB2 ALA A 50 9.195 26.750 -9.074 1.00 43.34 H new ATOM 0 HB3 ALA A 50 10.827 27.410 -8.813 1.00 43.34 H new ATOM 728 N LEU A 51 12.790 25.914 -7.279 1.00 24.42 N ATOM 729 CA LEU A 51 14.218 25.634 -7.176 1.00 24.20 C ATOM 730 C LEU A 51 14.471 24.403 -6.311 1.00 44.12 C ATOM 731 O LEU A 51 15.118 23.449 -6.745 1.00 52.53 O ATOM 732 CB LEU A 51 14.954 26.841 -6.592 1.00 51.41 C ATOM 733 CG LEU A 51 14.654 28.191 -7.246 1.00 63.54 C ATOM 734 CD1 LEU A 51 14.691 29.305 -6.212 1.00 40.14 C ATOM 735 CD2 LEU A 51 15.642 28.470 -8.370 1.00 23.34 C ATOM 0 H LEU A 51 12.501 26.796 -6.855 1.00 24.42 H new ATOM 0 HA LEU A 51 14.597 25.435 -8.179 1.00 24.20 H new ATOM 0 HB2 LEU A 51 14.711 26.911 -5.532 1.00 51.41 H new ATOM 0 HB3 LEU A 51 16.026 26.656 -6.662 1.00 51.41 H new ATOM 0 HG LEU A 51 13.651 28.152 -7.672 1.00 63.54 H new ATOM 0 HD11 LEU A 51 14.475 30.258 -6.696 1.00 40.14 H new ATOM 0 HD12 LEU A 51 13.944 29.112 -5.442 1.00 40.14 H new ATOM 0 HD13 LEU A 51 15.680 29.345 -5.756 1.00 40.14 H new ATOM 0 HD21 LEU A 51 15.414 29.434 -8.824 1.00 23.34 H new ATOM 0 HD22 LEU A 51 16.655 28.489 -7.968 1.00 23.34 H new ATOM 0 HD23 LEU A 51 15.566 27.687 -9.124 1.00 23.34 H new ATOM 747 N ARG A 52 13.956 24.431 -5.087 1.00 33.44 N ATOM 748 CA ARG A 52 14.125 23.317 -4.161 1.00 71.33 C ATOM 749 C ARG A 52 13.537 22.034 -4.742 1.00 30.25 C ATOM 750 O ARG A 52 14.184 20.986 -4.744 1.00 4.14 O ATOM 751 CB ARG A 52 13.460 23.634 -2.821 1.00 10.34 C ATOM 752 CG ARG A 52 13.689 22.570 -1.760 1.00 4.22 C ATOM 753 CD ARG A 52 14.393 23.143 -0.539 1.00 61.24 C ATOM 754 NE ARG A 52 13.896 22.559 0.703 1.00 32.33 N ATOM 755 CZ ARG A 52 12.769 22.940 1.295 1.00 23.42 C ATOM 756 NH1 ARG A 52 12.027 23.899 0.760 1.00 31.10 N ATOM 757 NH2 ARG A 52 12.383 22.360 2.425 1.00 50.04 N ATOM 0 H ARG A 52 13.418 25.213 -4.713 1.00 33.44 H new ATOM 0 HA ARG A 52 15.193 23.168 -4.002 1.00 71.33 H new ATOM 0 HB2 ARG A 52 13.838 24.588 -2.454 1.00 10.34 H new ATOM 0 HB3 ARG A 52 12.388 23.755 -2.977 1.00 10.34 H new ATOM 0 HG2 ARG A 52 12.733 22.140 -1.462 1.00 4.22 H new ATOM 0 HG3 ARG A 52 14.286 21.760 -2.179 1.00 4.22 H new ATOM 0 HD2 ARG A 52 15.465 22.963 -0.621 1.00 61.24 H new ATOM 0 HD3 ARG A 52 14.252 24.224 -0.513 1.00 61.24 H new ATOM 0 HE ARG A 52 14.444 21.818 1.140 1.00 32.33 H new ATOM 0 HH11 ARG A 52 12.321 24.347 -0.108 1.00 31.10 H new ATOM 0 HH12 ARG A 52 11.162 24.189 1.217 1.00 31.10 H new ATOM 0 HH21 ARG A 52 12.952 21.621 2.839 1.00 50.04 H new ATOM 0 HH22 ARG A 52 11.518 22.653 2.879 1.00 50.04 H new ATOM 771 N THR A 53 12.305 22.123 -5.233 1.00 71.22 N ATOM 772 CA THR A 53 11.629 20.970 -5.814 1.00 72.14 C ATOM 773 C THR A 53 12.365 20.466 -7.051 1.00 11.53 C ATOM 774 O THR A 53 12.440 19.261 -7.293 1.00 52.25 O ATOM 775 CB THR A 53 10.175 21.305 -6.198 1.00 1.54 C ATOM 776 OG1 THR A 53 9.453 21.744 -5.042 1.00 13.23 O ATOM 777 CG2 THR A 53 9.483 20.095 -6.806 1.00 14.15 C ATOM 0 H THR A 53 11.755 22.982 -5.240 1.00 71.22 H new ATOM 0 HA THR A 53 11.626 20.190 -5.053 1.00 72.14 H new ATOM 0 HB THR A 53 10.193 22.103 -6.940 1.00 1.54 H new ATOM 0 HG1 THR A 53 9.530 22.717 -4.958 1.00 13.23 H new ATOM 0 HG21 THR A 53 8.458 20.356 -7.069 1.00 14.15 H new ATOM 0 HG22 THR A 53 10.019 19.781 -7.702 1.00 14.15 H new ATOM 0 HG23 THR A 53 9.476 19.279 -6.083 1.00 14.15 H new ATOM 785 N LEU A 54 12.908 21.396 -7.829 1.00 72.35 N ATOM 786 CA LEU A 54 13.640 21.046 -9.042 1.00 32.21 C ATOM 787 C LEU A 54 14.713 20.002 -8.748 1.00 52.31 C ATOM 788 O LEU A 54 14.807 18.983 -9.434 1.00 3.25 O ATOM 789 CB LEU A 54 14.280 22.294 -9.653 1.00 75.41 C ATOM 790 CG LEU A 54 13.516 22.942 -10.808 1.00 50.03 C ATOM 791 CD1 LEU A 54 13.924 24.399 -10.967 1.00 34.42 C ATOM 792 CD2 LEU A 54 13.754 22.176 -12.101 1.00 70.05 C ATOM 0 H LEU A 54 12.855 22.397 -7.642 1.00 72.35 H new ATOM 0 HA LEU A 54 12.932 20.622 -9.755 1.00 32.21 H new ATOM 0 HB2 LEU A 54 14.406 23.036 -8.865 1.00 75.41 H new ATOM 0 HB3 LEU A 54 15.277 22.031 -10.005 1.00 75.41 H new ATOM 0 HG LEU A 54 12.451 22.907 -10.579 1.00 50.03 H new ATOM 0 HD11 LEU A 54 13.370 24.844 -11.794 1.00 34.42 H new ATOM 0 HD12 LEU A 54 13.702 24.941 -10.048 1.00 34.42 H new ATOM 0 HD13 LEU A 54 14.993 24.457 -11.173 1.00 34.42 H new ATOM 0 HD21 LEU A 54 13.203 22.651 -12.912 1.00 70.05 H new ATOM 0 HD22 LEU A 54 14.819 22.179 -12.335 1.00 70.05 H new ATOM 0 HD23 LEU A 54 13.412 21.148 -11.983 1.00 70.05 H new ATOM 804 N LEU A 55 15.518 20.262 -7.724 1.00 62.20 N ATOM 805 CA LEU A 55 16.584 19.344 -7.337 1.00 71.21 C ATOM 806 C LEU A 55 16.044 17.929 -7.153 1.00 11.24 C ATOM 807 O LEU A 55 16.649 16.959 -7.607 1.00 25.14 O ATOM 808 CB LEU A 55 17.250 19.820 -6.045 1.00 41.11 C ATOM 809 CG LEU A 55 18.426 20.783 -6.212 1.00 24.32 C ATOM 810 CD1 LEU A 55 18.322 21.930 -5.219 1.00 23.11 C ATOM 811 CD2 LEU A 55 19.747 20.046 -6.042 1.00 31.34 C ATOM 0 H LEU A 55 15.453 21.100 -7.147 1.00 62.20 H new ATOM 0 HA LEU A 55 17.325 19.329 -8.136 1.00 71.21 H new ATOM 0 HB2 LEU A 55 16.494 20.305 -5.427 1.00 41.11 H new ATOM 0 HB3 LEU A 55 17.598 18.945 -5.495 1.00 41.11 H new ATOM 0 HG LEU A 55 18.391 21.198 -7.219 1.00 24.32 H new ATOM 0 HD11 LEU A 55 19.167 22.605 -5.353 1.00 23.11 H new ATOM 0 HD12 LEU A 55 17.393 22.474 -5.388 1.00 23.11 H new ATOM 0 HD13 LEU A 55 18.331 21.534 -4.204 1.00 23.11 H new ATOM 0 HD21 LEU A 55 20.573 20.747 -6.164 1.00 31.34 H new ATOM 0 HD22 LEU A 55 19.791 19.603 -5.047 1.00 31.34 H new ATOM 0 HD23 LEU A 55 19.824 19.260 -6.793 1.00 31.34 H new ATOM 823 N ALA A 56 14.900 17.821 -6.485 1.00 72.52 N ATOM 824 CA ALA A 56 14.276 16.525 -6.245 1.00 12.44 C ATOM 825 C ALA A 56 13.734 15.928 -7.539 1.00 1.11 C ATOM 826 O ALA A 56 13.990 14.766 -7.854 1.00 64.50 O ATOM 827 CB ALA A 56 13.162 16.659 -5.216 1.00 65.21 C ATOM 0 H ALA A 56 14.387 18.614 -6.101 1.00 72.52 H new ATOM 0 HA ALA A 56 15.037 15.849 -5.855 1.00 12.44 H new ATOM 0 HB1 ALA A 56 12.704 15.684 -5.046 1.00 65.21 H new ATOM 0 HB2 ALA A 56 13.575 17.034 -4.280 1.00 65.21 H new ATOM 0 HB3 ALA A 56 12.408 17.354 -5.585 1.00 65.21 H new ATOM 833 N THR A 57 12.982 16.730 -8.286 1.00 44.45 N ATOM 834 CA THR A 57 12.403 16.281 -9.546 1.00 32.43 C ATOM 835 C THR A 57 13.480 15.768 -10.495 1.00 1.51 C ATOM 836 O THR A 57 13.469 14.603 -10.892 1.00 1.21 O ATOM 837 CB THR A 57 11.619 17.411 -10.239 1.00 31.11 C ATOM 838 OG1 THR A 57 12.482 18.527 -10.484 1.00 61.20 O ATOM 839 CG2 THR A 57 10.439 17.853 -9.386 1.00 45.31 C ATOM 0 H THR A 57 12.760 17.695 -8.040 1.00 44.45 H new ATOM 0 HA THR A 57 11.718 15.468 -9.306 1.00 32.43 H new ATOM 0 HB THR A 57 11.239 17.031 -11.187 1.00 31.11 H new ATOM 0 HG1 THR A 57 13.121 18.615 -9.746 1.00 61.20 H new ATOM 0 HG21 THR A 57 9.900 18.652 -9.896 1.00 45.31 H new ATOM 0 HG22 THR A 57 9.769 17.008 -9.226 1.00 45.31 H new ATOM 0 HG23 THR A 57 10.801 18.216 -8.424 1.00 45.31 H new ATOM 847 N VAL A 58 14.411 16.646 -10.855 1.00 52.54 N ATOM 848 CA VAL A 58 15.497 16.282 -11.757 1.00 40.22 C ATOM 849 C VAL A 58 16.260 15.069 -11.237 1.00 2.44 C ATOM 850 O VAL A 58 16.739 14.244 -12.014 1.00 74.52 O ATOM 851 CB VAL A 58 16.482 17.451 -11.950 1.00 71.43 C ATOM 852 CG1 VAL A 58 17.160 17.800 -10.635 1.00 2.45 C ATOM 853 CG2 VAL A 58 17.512 17.108 -13.016 1.00 51.10 C ATOM 0 H VAL A 58 14.435 17.614 -10.536 1.00 52.54 H new ATOM 0 HA VAL A 58 15.043 16.037 -12.717 1.00 40.22 H new ATOM 0 HB VAL A 58 15.922 18.324 -12.285 1.00 71.43 H new ATOM 0 HG11 VAL A 58 17.852 18.628 -10.791 1.00 2.45 H new ATOM 0 HG12 VAL A 58 16.406 18.090 -9.903 1.00 2.45 H new ATOM 0 HG13 VAL A 58 17.708 16.933 -10.267 1.00 2.45 H new ATOM 0 HG21 VAL A 58 18.200 17.944 -13.140 1.00 51.10 H new ATOM 0 HG22 VAL A 58 18.069 16.222 -12.712 1.00 51.10 H new ATOM 0 HG23 VAL A 58 17.006 16.912 -13.961 1.00 51.10 H new ATOM 863 N ASP A 59 16.370 14.968 -9.917 1.00 13.44 N ATOM 864 CA ASP A 59 17.074 13.855 -9.291 1.00 14.02 C ATOM 865 C ASP A 59 16.471 12.521 -9.720 1.00 63.14 C ATOM 866 O ASP A 59 17.191 11.548 -9.943 1.00 33.22 O ATOM 867 CB ASP A 59 17.024 13.984 -7.768 1.00 3.14 C ATOM 868 CG ASP A 59 18.342 14.453 -7.183 1.00 42.23 C ATOM 869 OD1 ASP A 59 18.987 15.326 -7.801 1.00 1.25 O ATOM 870 OD2 ASP A 59 18.729 13.947 -6.109 1.00 63.52 O ATOM 0 H ASP A 59 15.981 15.644 -9.260 1.00 13.44 H new ATOM 0 HA ASP A 59 18.114 13.886 -9.617 1.00 14.02 H new ATOM 0 HB2 ASP A 59 16.237 14.686 -7.491 1.00 3.14 H new ATOM 0 HB3 ASP A 59 16.759 13.020 -7.333 1.00 3.14 H new ATOM 875 N GLU A 60 15.147 12.484 -9.834 1.00 2.23 N ATOM 876 CA GLU A 60 14.449 11.268 -10.235 1.00 11.54 C ATOM 877 C GLU A 60 14.428 11.129 -11.754 1.00 41.01 C ATOM 878 O GLU A 60 14.209 10.040 -12.285 1.00 51.43 O ATOM 879 CB GLU A 60 13.018 11.273 -9.692 1.00 42.13 C ATOM 880 CG GLU A 60 12.930 11.594 -8.210 1.00 23.54 C ATOM 881 CD GLU A 60 11.650 11.083 -7.577 1.00 40.24 C ATOM 882 OE1 GLU A 60 11.501 9.849 -7.454 1.00 53.33 O ATOM 883 OE2 GLU A 60 10.798 11.917 -7.206 1.00 73.21 O ATOM 0 H GLU A 60 14.537 13.281 -9.655 1.00 2.23 H new ATOM 0 HA GLU A 60 14.986 10.416 -9.817 1.00 11.54 H new ATOM 0 HB2 GLU A 60 12.430 12.003 -10.249 1.00 42.13 H new ATOM 0 HB3 GLU A 60 12.567 10.297 -9.871 1.00 42.13 H new ATOM 0 HG2 GLU A 60 13.785 11.156 -7.696 1.00 23.54 H new ATOM 0 HG3 GLU A 60 12.994 12.673 -8.071 1.00 23.54 H new ATOM 890 N SER A 61 14.657 12.240 -12.448 1.00 23.44 N ATOM 891 CA SER A 61 14.661 12.243 -13.906 1.00 14.22 C ATOM 892 C SER A 61 15.919 11.572 -14.448 1.00 1.22 C ATOM 893 O SER A 61 15.935 11.072 -15.573 1.00 75.03 O ATOM 894 CB SER A 61 14.565 13.676 -14.434 1.00 3.15 C ATOM 895 OG SER A 61 13.597 13.777 -15.463 1.00 62.14 O ATOM 0 H SER A 61 14.842 13.149 -12.024 1.00 23.44 H new ATOM 0 HA SER A 61 13.794 11.678 -14.248 1.00 14.22 H new ATOM 0 HB2 SER A 61 14.305 14.351 -13.618 1.00 3.15 H new ATOM 0 HB3 SER A 61 15.537 13.993 -14.812 1.00 3.15 H new ATOM 0 HG SER A 61 13.554 14.703 -15.782 1.00 62.14 H new ATOM 901 N LEU A 62 16.973 11.565 -13.639 1.00 41.53 N ATOM 902 CA LEU A 62 18.238 10.956 -14.036 1.00 52.20 C ATOM 903 C LEU A 62 18.022 9.533 -14.541 1.00 11.03 C ATOM 904 O LEU A 62 18.319 9.204 -15.689 1.00 73.33 O ATOM 905 CB LEU A 62 19.215 10.949 -12.859 1.00 13.40 C ATOM 906 CG LEU A 62 20.291 12.036 -12.874 1.00 32.44 C ATOM 907 CD1 LEU A 62 21.330 11.743 -13.945 1.00 11.12 C ATOM 908 CD2 LEU A 62 19.664 13.404 -13.096 1.00 0.45 C ATOM 0 H LEU A 62 16.977 11.974 -12.705 1.00 41.53 H new ATOM 0 HA LEU A 62 18.660 11.550 -14.847 1.00 52.20 H new ATOM 0 HB2 LEU A 62 18.642 11.045 -11.937 1.00 13.40 H new ATOM 0 HB3 LEU A 62 19.708 9.978 -12.828 1.00 13.40 H new ATOM 0 HG LEU A 62 20.790 12.041 -11.905 1.00 32.44 H new ATOM 0 HD11 LEU A 62 22.088 12.527 -13.941 1.00 11.12 H new ATOM 0 HD12 LEU A 62 21.801 10.782 -13.741 1.00 11.12 H new ATOM 0 HD13 LEU A 62 20.847 11.710 -14.921 1.00 11.12 H new ATOM 0 HD21 LEU A 62 20.444 14.165 -13.104 1.00 0.45 H new ATOM 0 HD22 LEU A 62 19.139 13.413 -14.051 1.00 0.45 H new ATOM 0 HD23 LEU A 62 18.959 13.616 -12.292 1.00 0.45 H new ATOM 920 N PRO A 63 17.491 8.668 -13.664 1.00 13.12 N ATOM 921 CA PRO A 63 17.220 7.267 -13.999 1.00 24.12 C ATOM 922 C PRO A 63 16.071 7.119 -14.990 1.00 42.11 C ATOM 923 O PRO A 63 16.164 6.361 -15.956 1.00 23.05 O ATOM 924 CB PRO A 63 16.847 6.646 -12.651 1.00 30.53 C ATOM 925 CG PRO A 63 16.333 7.784 -11.839 1.00 34.45 C ATOM 926 CD PRO A 63 17.113 8.992 -12.278 1.00 34.20 C ATOM 0 HA PRO A 63 18.074 6.791 -14.482 1.00 24.12 H new ATOM 0 HB2 PRO A 63 16.091 5.870 -12.768 1.00 30.53 H new ATOM 0 HB3 PRO A 63 17.711 6.180 -12.177 1.00 30.53 H new ATOM 0 HG2 PRO A 63 15.265 7.929 -12.002 1.00 34.45 H new ATOM 0 HG3 PRO A 63 16.470 7.597 -10.774 1.00 34.45 H new ATOM 0 HD2 PRO A 63 16.511 9.899 -12.227 1.00 34.20 H new ATOM 0 HD3 PRO A 63 17.989 9.155 -11.650 1.00 34.20 H new ATOM 934 N VAL A 64 14.987 7.849 -14.746 1.00 23.24 N ATOM 935 CA VAL A 64 13.820 7.800 -15.618 1.00 20.01 C ATOM 936 C VAL A 64 14.212 8.025 -17.074 1.00 23.41 C ATOM 937 O VAL A 64 13.599 7.469 -17.986 1.00 50.45 O ATOM 938 CB VAL A 64 12.772 8.853 -15.212 1.00 35.41 C ATOM 939 CG1 VAL A 64 11.627 8.880 -16.213 1.00 52.12 C ATOM 940 CG2 VAL A 64 12.256 8.576 -13.808 1.00 10.43 C ATOM 0 H VAL A 64 14.893 8.481 -13.951 1.00 23.24 H new ATOM 0 HA VAL A 64 13.386 6.806 -15.511 1.00 20.01 H new ATOM 0 HB VAL A 64 13.248 9.834 -15.213 1.00 35.41 H new ATOM 0 HG11 VAL A 64 10.896 9.630 -15.910 1.00 52.12 H new ATOM 0 HG12 VAL A 64 12.014 9.129 -17.201 1.00 52.12 H new ATOM 0 HG13 VAL A 64 11.150 7.901 -16.246 1.00 52.12 H new ATOM 0 HG21 VAL A 64 11.516 9.329 -13.537 1.00 10.43 H new ATOM 0 HG22 VAL A 64 11.796 7.588 -13.778 1.00 10.43 H new ATOM 0 HG23 VAL A 64 13.086 8.611 -13.102 1.00 10.43 H new ATOM 950 N LEU A 65 15.238 8.842 -17.285 1.00 23.40 N ATOM 951 CA LEU A 65 15.714 9.140 -18.631 1.00 43.13 C ATOM 952 C LEU A 65 17.005 8.385 -18.933 1.00 33.34 C ATOM 953 O LEU A 65 17.725 7.953 -18.032 1.00 42.52 O ATOM 954 CB LEU A 65 15.941 10.644 -18.791 1.00 42.44 C ATOM 955 CG LEU A 65 14.704 11.478 -19.125 1.00 14.12 C ATOM 956 CD1 LEU A 65 14.179 11.125 -20.508 1.00 1.40 C ATOM 957 CD2 LEU A 65 13.623 11.272 -18.074 1.00 35.32 C ATOM 0 H LEU A 65 15.756 9.310 -16.541 1.00 23.40 H new ATOM 0 HA LEU A 65 14.951 8.816 -19.339 1.00 43.13 H new ATOM 0 HB2 LEU A 65 16.373 11.026 -17.866 1.00 42.44 H new ATOM 0 HB3 LEU A 65 16.681 10.798 -19.576 1.00 42.44 H new ATOM 0 HG LEU A 65 14.988 12.530 -19.125 1.00 14.12 H new ATOM 0 HD11 LEU A 65 13.299 11.729 -20.728 1.00 1.40 H new ATOM 0 HD12 LEU A 65 14.951 11.324 -21.252 1.00 1.40 H new ATOM 0 HD13 LEU A 65 13.911 10.069 -20.537 1.00 1.40 H new ATOM 0 HD21 LEU A 65 12.750 11.873 -18.328 1.00 35.32 H new ATOM 0 HD22 LEU A 65 13.342 10.219 -18.042 1.00 35.32 H new ATOM 0 HD23 LEU A 65 14.002 11.576 -17.098 1.00 35.32 H new ATOM 969 N PRO A 66 17.306 8.222 -20.229 1.00 61.54 N ATOM 970 CA PRO A 66 18.512 7.521 -20.680 1.00 23.54 C ATOM 971 C PRO A 66 19.785 8.306 -20.382 1.00 13.33 C ATOM 972 O PRO A 66 19.844 9.516 -20.602 1.00 23.44 O ATOM 973 CB PRO A 66 18.305 7.392 -22.191 1.00 34.13 C ATOM 974 CG PRO A 66 17.393 8.516 -22.545 1.00 22.12 C ATOM 975 CD PRO A 66 16.493 8.709 -21.356 1.00 11.30 C ATOM 0 HA PRO A 66 18.641 6.566 -20.171 1.00 23.54 H new ATOM 0 HB2 PRO A 66 19.251 7.465 -22.728 1.00 34.13 H new ATOM 0 HB3 PRO A 66 17.865 6.429 -22.450 1.00 34.13 H new ATOM 0 HG2 PRO A 66 17.957 9.424 -22.759 1.00 22.12 H new ATOM 0 HG3 PRO A 66 16.814 8.282 -23.439 1.00 22.12 H new ATOM 0 HD2 PRO A 66 16.215 9.755 -21.228 1.00 11.30 H new ATOM 0 HD3 PRO A 66 15.567 8.143 -21.457 1.00 11.30 H new ATOM 983 N ALA A 67 20.800 7.611 -19.881 1.00 24.03 N ATOM 984 CA ALA A 67 22.073 8.244 -19.555 1.00 74.33 C ATOM 985 C ALA A 67 22.706 8.871 -20.793 1.00 23.54 C ATOM 986 O ALA A 67 23.099 8.168 -21.724 1.00 51.01 O ATOM 987 CB ALA A 67 23.021 7.232 -18.930 1.00 33.45 C ATOM 0 H ALA A 67 20.766 6.609 -19.692 1.00 24.03 H new ATOM 0 HA ALA A 67 21.882 9.039 -18.834 1.00 74.33 H new ATOM 0 HB1 ALA A 67 23.967 7.718 -18.692 1.00 33.45 H new ATOM 0 HB2 ALA A 67 22.578 6.834 -18.017 1.00 33.45 H new ATOM 0 HB3 ALA A 67 23.198 6.418 -19.632 1.00 33.45 H new ATOM 993 N SER A 68 22.802 10.196 -20.796 1.00 4.25 N ATOM 994 CA SER A 68 23.385 10.918 -21.921 1.00 34.01 C ATOM 995 C SER A 68 23.303 12.425 -21.700 1.00 52.44 C ATOM 996 O SER A 68 24.183 13.176 -22.123 1.00 72.04 O ATOM 997 CB SER A 68 22.670 10.542 -23.220 1.00 73.31 C ATOM 998 OG SER A 68 21.320 10.186 -22.975 1.00 61.20 O ATOM 0 H SER A 68 22.484 10.792 -20.032 1.00 4.25 H new ATOM 0 HA SER A 68 24.435 10.636 -21.998 1.00 34.01 H new ATOM 0 HB2 SER A 68 22.708 11.381 -23.915 1.00 73.31 H new ATOM 0 HB3 SER A 68 23.188 9.710 -23.696 1.00 73.31 H new ATOM 0 HG SER A 68 20.885 9.951 -23.821 1.00 61.20 H new ATOM 1004 N THR A 69 22.239 12.863 -21.034 1.00 74.13 N ATOM 1005 CA THR A 69 22.039 14.280 -20.758 1.00 24.13 C ATOM 1006 C THR A 69 22.069 14.557 -19.259 1.00 60.00 C ATOM 1007 O THR A 69 21.239 15.303 -18.739 1.00 1.51 O ATOM 1008 CB THR A 69 20.703 14.782 -21.335 1.00 13.51 C ATOM 1009 OG1 THR A 69 20.550 16.181 -21.070 1.00 52.42 O ATOM 1010 CG2 THR A 69 19.533 14.017 -20.736 1.00 34.03 C ATOM 0 H THR A 69 21.502 12.256 -20.676 1.00 74.13 H new ATOM 0 HA THR A 69 22.857 14.815 -21.240 1.00 24.13 H new ATOM 0 HB THR A 69 20.712 14.615 -22.412 1.00 13.51 H new ATOM 0 HG1 THR A 69 20.572 16.335 -20.102 1.00 52.42 H new ATOM 0 HG21 THR A 69 18.600 14.389 -21.159 1.00 34.03 H new ATOM 0 HG22 THR A 69 19.637 12.956 -20.964 1.00 34.03 H new ATOM 0 HG23 THR A 69 19.522 14.156 -19.655 1.00 34.03 H new ATOM 1018 N HIS A 70 23.030 13.952 -18.569 1.00 25.22 N ATOM 1019 CA HIS A 70 23.169 14.135 -17.128 1.00 73.04 C ATOM 1020 C HIS A 70 24.243 15.171 -16.813 1.00 41.41 C ATOM 1021 O HIS A 70 24.047 16.046 -15.969 1.00 52.13 O ATOM 1022 CB HIS A 70 23.512 12.806 -16.455 1.00 1.24 C ATOM 1023 CG HIS A 70 24.673 12.099 -17.082 1.00 64.24 C ATOM 1024 ND1 HIS A 70 24.545 11.260 -18.169 1.00 64.31 N ATOM 1025 CD2 HIS A 70 25.991 12.111 -16.771 1.00 74.41 C ATOM 1026 CE1 HIS A 70 25.733 10.785 -18.498 1.00 64.40 C ATOM 1027 NE2 HIS A 70 26.628 11.286 -17.665 1.00 72.04 N ATOM 0 H HIS A 70 23.724 13.331 -18.984 1.00 25.22 H new ATOM 0 HA HIS A 70 22.217 14.495 -16.739 1.00 73.04 H new ATOM 0 HB2 HIS A 70 23.733 12.987 -15.403 1.00 1.24 H new ATOM 0 HB3 HIS A 70 22.639 12.155 -16.490 1.00 1.24 H new ATOM 0 HD2 HIS A 70 26.455 12.666 -15.969 1.00 74.41 H new ATOM 0 HE1 HIS A 70 25.938 10.103 -19.310 1.00 64.40 H new ATOM 0 HE2 HIS A 70 27.629 11.092 -17.683 1.00 72.04 H new ATOM 1035 N ARG A 71 25.378 15.066 -17.496 1.00 5.01 N ATOM 1036 CA ARG A 71 26.484 15.993 -17.287 1.00 24.21 C ATOM 1037 C ARG A 71 26.006 17.439 -17.376 1.00 11.02 C ATOM 1038 O ARG A 71 26.289 18.251 -16.496 1.00 44.21 O ATOM 1039 CB ARG A 71 27.587 15.745 -18.318 1.00 21.12 C ATOM 1040 CG ARG A 71 27.079 15.677 -19.749 1.00 1.22 C ATOM 1041 CD ARG A 71 28.159 15.188 -20.701 1.00 21.53 C ATOM 1042 NE ARG A 71 28.294 13.734 -20.675 1.00 34.53 N ATOM 1043 CZ ARG A 71 29.278 13.076 -21.277 1.00 21.43 C ATOM 1044 NH1 ARG A 71 30.210 13.739 -21.948 1.00 34.41 N ATOM 1045 NH2 ARG A 71 29.332 11.752 -21.208 1.00 23.44 N ATOM 0 H ARG A 71 25.556 14.348 -18.199 1.00 5.01 H new ATOM 0 HA ARG A 71 26.885 15.822 -16.288 1.00 24.21 H new ATOM 0 HB2 ARG A 71 28.329 16.540 -18.242 1.00 21.12 H new ATOM 0 HB3 ARG A 71 28.095 14.811 -18.077 1.00 21.12 H new ATOM 0 HG2 ARG A 71 26.219 15.010 -19.799 1.00 1.22 H new ATOM 0 HG3 ARG A 71 26.736 16.663 -20.062 1.00 1.22 H new ATOM 0 HD2 ARG A 71 27.923 15.512 -21.715 1.00 21.53 H new ATOM 0 HD3 ARG A 71 29.112 15.645 -20.434 1.00 21.53 H new ATOM 0 HE ARG A 71 27.594 13.194 -20.166 1.00 34.53 H new ATOM 0 HH11 ARG A 71 30.172 14.757 -22.003 1.00 34.41 H new ATOM 0 HH12 ARG A 71 30.965 13.231 -22.409 1.00 34.41 H new ATOM 0 HH21 ARG A 71 28.617 11.239 -20.692 1.00 23.44 H new ATOM 0 HH22 ARG A 71 30.088 11.248 -21.671 1.00 23.44 H new ATOM 1059 N GLU A 72 25.280 17.752 -18.444 1.00 52.25 N ATOM 1060 CA GLU A 72 24.764 19.101 -18.648 1.00 72.31 C ATOM 1061 C GLU A 72 23.845 19.511 -17.501 1.00 32.41 C ATOM 1062 O GLU A 72 24.065 20.533 -16.850 1.00 61.51 O ATOM 1063 CB GLU A 72 24.009 19.187 -19.976 1.00 61.23 C ATOM 1064 CG GLU A 72 24.806 19.850 -21.087 1.00 60.43 C ATOM 1065 CD GLU A 72 23.921 20.503 -22.131 1.00 35.23 C ATOM 1066 OE1 GLU A 72 22.757 20.074 -22.275 1.00 32.32 O ATOM 1067 OE2 GLU A 72 24.392 21.444 -22.803 1.00 20.10 O ATOM 0 H GLU A 72 25.036 17.091 -19.181 1.00 52.25 H new ATOM 0 HA GLU A 72 25.611 19.786 -18.675 1.00 72.31 H new ATOM 0 HB2 GLU A 72 23.729 18.182 -20.291 1.00 61.23 H new ATOM 0 HB3 GLU A 72 23.084 19.742 -19.823 1.00 61.23 H new ATOM 0 HG2 GLU A 72 25.468 20.601 -20.656 1.00 60.43 H new ATOM 0 HG3 GLU A 72 25.440 19.105 -21.568 1.00 60.43 H new ATOM 1074 N ILE A 73 22.815 18.707 -17.260 1.00 34.21 N ATOM 1075 CA ILE A 73 21.863 18.985 -16.192 1.00 13.13 C ATOM 1076 C ILE A 73 22.575 19.181 -14.858 1.00 20.53 C ATOM 1077 O ILE A 73 22.164 20.001 -14.038 1.00 74.11 O ATOM 1078 CB ILE A 73 20.830 17.851 -16.048 1.00 41.43 C ATOM 1079 CG1 ILE A 73 20.070 17.655 -17.362 1.00 24.22 C ATOM 1080 CG2 ILE A 73 19.865 18.155 -14.912 1.00 70.31 C ATOM 1081 CD1 ILE A 73 19.221 18.844 -17.753 1.00 3.25 C ATOM 0 H ILE A 73 22.619 17.858 -17.790 1.00 34.21 H new ATOM 0 HA ILE A 73 21.345 19.905 -16.463 1.00 13.13 H new ATOM 0 HB ILE A 73 21.357 16.926 -15.813 1.00 41.43 H new ATOM 0 HG12 ILE A 73 20.785 17.452 -18.159 1.00 24.22 H new ATOM 0 HG13 ILE A 73 19.431 16.776 -17.275 1.00 24.22 H new ATOM 0 HG21 ILE A 73 19.141 17.345 -14.823 1.00 70.31 H new ATOM 0 HG22 ILE A 73 20.420 18.250 -13.979 1.00 70.31 H new ATOM 0 HG23 ILE A 73 19.341 19.088 -15.119 1.00 70.31 H new ATOM 0 HD11 ILE A 73 18.712 18.634 -18.694 1.00 3.25 H new ATOM 0 HD12 ILE A 73 18.482 19.035 -16.975 1.00 3.25 H new ATOM 0 HD13 ILE A 73 19.857 19.721 -17.873 1.00 3.25 H new ATOM 1093 N GLU A 74 23.647 18.422 -14.648 1.00 75.04 N ATOM 1094 CA GLU A 74 24.417 18.513 -13.414 1.00 12.14 C ATOM 1095 C GLU A 74 24.951 19.928 -13.209 1.00 31.13 C ATOM 1096 O GLU A 74 24.908 20.464 -12.102 1.00 51.51 O ATOM 1097 CB GLU A 74 25.577 17.516 -13.436 1.00 4.35 C ATOM 1098 CG GLU A 74 25.325 16.269 -12.605 1.00 14.53 C ATOM 1099 CD GLU A 74 25.431 16.530 -11.115 1.00 22.14 C ATOM 1100 OE1 GLU A 74 25.331 17.707 -10.710 1.00 52.32 O ATOM 1101 OE2 GLU A 74 25.615 15.557 -10.353 1.00 41.44 O ATOM 0 H GLU A 74 24.001 17.738 -15.317 1.00 75.04 H new ATOM 0 HA GLU A 74 23.754 18.270 -12.583 1.00 12.14 H new ATOM 0 HB2 GLU A 74 25.772 17.222 -14.467 1.00 4.35 H new ATOM 0 HB3 GLU A 74 26.477 18.010 -13.070 1.00 4.35 H new ATOM 0 HG2 GLU A 74 24.333 15.880 -12.832 1.00 14.53 H new ATOM 0 HG3 GLU A 74 26.042 15.498 -12.887 1.00 14.53 H new ATOM 1108 N MET A 75 25.454 20.525 -14.284 1.00 4.43 N ATOM 1109 CA MET A 75 25.996 21.878 -14.222 1.00 64.24 C ATOM 1110 C MET A 75 24.881 22.903 -14.044 1.00 61.02 C ATOM 1111 O MET A 75 25.087 23.961 -13.451 1.00 43.43 O ATOM 1112 CB MET A 75 26.793 22.189 -15.491 1.00 21.11 C ATOM 1113 CG MET A 75 27.975 21.258 -15.710 1.00 53.01 C ATOM 1114 SD MET A 75 29.252 21.449 -14.452 1.00 31.33 S ATOM 1115 CE MET A 75 30.628 20.612 -15.236 1.00 53.33 C ATOM 0 H MET A 75 25.498 20.094 -15.208 1.00 4.43 H new ATOM 0 HA MET A 75 26.660 21.937 -13.360 1.00 64.24 H new ATOM 0 HB2 MET A 75 26.128 22.127 -16.352 1.00 21.11 H new ATOM 0 HB3 MET A 75 27.154 23.216 -15.441 1.00 21.11 H new ATOM 0 HG2 MET A 75 27.624 20.226 -15.712 1.00 53.01 H new ATOM 0 HG3 MET A 75 28.407 21.450 -16.692 1.00 53.01 H new ATOM 0 HE1 MET A 75 31.497 20.645 -14.578 1.00 53.33 H new ATOM 0 HE2 MET A 75 30.359 19.574 -15.430 1.00 53.33 H new ATOM 0 HE3 MET A 75 30.866 21.107 -16.177 1.00 53.33 H new ATOM 1125 N ALA A 76 23.700 22.582 -14.562 1.00 31.34 N ATOM 1126 CA ALA A 76 22.552 23.474 -14.458 1.00 1.22 C ATOM 1127 C ALA A 76 22.083 23.599 -13.012 1.00 41.42 C ATOM 1128 O ALA A 76 21.646 24.667 -12.583 1.00 30.41 O ATOM 1129 CB ALA A 76 21.417 22.979 -15.342 1.00 41.30 C ATOM 0 H ALA A 76 23.513 21.711 -15.058 1.00 31.34 H new ATOM 0 HA ALA A 76 22.859 24.462 -14.800 1.00 1.22 H new ATOM 0 HB1 ALA A 76 20.566 23.655 -15.254 1.00 41.30 H new ATOM 0 HB2 ALA A 76 21.751 22.948 -16.379 1.00 41.30 H new ATOM 0 HB3 ALA A 76 21.120 21.979 -15.027 1.00 41.30 H new ATOM 1135 N GLN A 77 22.176 22.502 -12.268 1.00 4.44 N ATOM 1136 CA GLN A 77 21.760 22.491 -10.870 1.00 72.43 C ATOM 1137 C GLN A 77 22.525 23.536 -10.065 1.00 61.41 C ATOM 1138 O GLN A 77 21.930 24.430 -9.464 1.00 51.32 O ATOM 1139 CB GLN A 77 21.976 21.103 -10.263 1.00 50.15 C ATOM 1140 CG GLN A 77 21.002 20.055 -10.779 1.00 5.44 C ATOM 1141 CD GLN A 77 21.670 18.721 -11.048 1.00 52.25 C ATOM 1142 OE1 GLN A 77 21.437 18.096 -12.083 1.00 71.51 O ATOM 1143 NE2 GLN A 77 22.506 18.278 -10.117 1.00 12.02 N ATOM 0 H GLN A 77 22.535 21.610 -12.609 1.00 4.44 H new ATOM 0 HA GLN A 77 20.699 22.736 -10.831 1.00 72.43 H new ATOM 0 HB2 GLN A 77 22.994 20.777 -10.476 1.00 50.15 H new ATOM 0 HB3 GLN A 77 21.883 21.171 -9.179 1.00 50.15 H new ATOM 0 HG2 GLN A 77 20.203 19.917 -10.050 1.00 5.44 H new ATOM 0 HG3 GLN A 77 20.538 20.416 -11.697 1.00 5.44 H new ATOM 0 HE21 GLN A 77 22.669 18.829 -9.274 1.00 12.02 H new ATOM 0 HE22 GLN A 77 22.985 17.387 -10.244 1.00 12.02 H new ATOM 1152 N LYS A 78 23.848 23.416 -10.057 1.00 4.22 N ATOM 1153 CA LYS A 78 24.697 24.350 -9.326 1.00 53.54 C ATOM 1154 C LYS A 78 24.364 25.792 -9.697 1.00 52.15 C ATOM 1155 O LYS A 78 24.265 26.660 -8.829 1.00 54.34 O ATOM 1156 CB LYS A 78 26.172 24.066 -9.617 1.00 21.33 C ATOM 1157 CG LYS A 78 27.022 23.924 -8.366 1.00 12.23 C ATOM 1158 CD LYS A 78 28.361 23.275 -8.672 1.00 2.31 C ATOM 1159 CE LYS A 78 28.515 21.947 -7.948 1.00 24.32 C ATOM 1160 NZ LYS A 78 29.867 21.356 -8.154 1.00 53.01 N ATOM 0 H LYS A 78 24.356 22.681 -10.549 1.00 4.22 H new ATOM 0 HA LYS A 78 24.510 24.214 -8.261 1.00 53.54 H new ATOM 0 HB2 LYS A 78 26.248 23.151 -10.204 1.00 21.33 H new ATOM 0 HB3 LYS A 78 26.575 24.872 -10.230 1.00 21.33 H new ATOM 0 HG2 LYS A 78 27.186 24.906 -7.923 1.00 12.23 H new ATOM 0 HG3 LYS A 78 26.487 23.326 -7.628 1.00 12.23 H new ATOM 0 HD2 LYS A 78 28.453 23.118 -9.747 1.00 2.31 H new ATOM 0 HD3 LYS A 78 29.168 23.947 -8.378 1.00 2.31 H new ATOM 0 HE2 LYS A 78 28.341 22.092 -6.882 1.00 24.32 H new ATOM 0 HE3 LYS A 78 27.756 21.250 -8.303 1.00 24.32 H new ATOM 0 HZ1 LYS A 78 29.932 20.452 -7.645 1.00 53.01 H new ATOM 0 HZ2 LYS A 78 30.024 21.193 -9.169 1.00 53.01 H new ATOM 0 HZ3 LYS A 78 30.590 22.010 -7.792 1.00 53.01 H new ATOM 1174 N LEU A 79 24.191 26.040 -10.991 1.00 51.20 N ATOM 1175 CA LEU A 79 23.867 27.377 -11.477 1.00 2.10 C ATOM 1176 C LEU A 79 22.626 27.925 -10.779 1.00 24.51 C ATOM 1177 O LEU A 79 22.602 29.077 -10.346 1.00 3.44 O ATOM 1178 CB LEU A 79 23.645 27.351 -12.990 1.00 43.23 C ATOM 1179 CG LEU A 79 23.580 28.713 -13.683 1.00 2.05 C ATOM 1180 CD1 LEU A 79 24.968 29.159 -14.115 1.00 64.33 C ATOM 1181 CD2 LEU A 79 22.639 28.660 -14.877 1.00 33.21 C ATOM 0 H LEU A 79 24.270 25.333 -11.722 1.00 51.20 H new ATOM 0 HA LEU A 79 24.708 28.032 -11.250 1.00 2.10 H new ATOM 0 HB2 LEU A 79 24.449 26.772 -13.445 1.00 43.23 H new ATOM 0 HB3 LEU A 79 22.715 26.819 -13.191 1.00 43.23 H new ATOM 0 HG LEU A 79 23.191 29.442 -12.972 1.00 2.05 H new ATOM 0 HD11 LEU A 79 24.902 30.130 -14.606 1.00 64.33 H new ATOM 0 HD12 LEU A 79 25.613 29.238 -13.240 1.00 64.33 H new ATOM 0 HD13 LEU A 79 25.385 28.429 -14.809 1.00 64.33 H new ATOM 0 HD21 LEU A 79 22.605 29.638 -15.357 1.00 33.21 H new ATOM 0 HD22 LEU A 79 22.997 27.917 -15.590 1.00 33.21 H new ATOM 0 HD23 LEU A 79 21.639 28.387 -14.540 1.00 33.21 H new ATOM 1193 N LEU A 80 21.598 27.090 -10.671 1.00 41.44 N ATOM 1194 CA LEU A 80 20.354 27.490 -10.023 1.00 74.33 C ATOM 1195 C LEU A 80 20.616 28.007 -8.613 1.00 11.14 C ATOM 1196 O LEU A 80 20.046 29.014 -8.194 1.00 74.51 O ATOM 1197 CB LEU A 80 19.380 26.311 -9.974 1.00 24.44 C ATOM 1198 CG LEU A 80 18.188 26.384 -10.928 1.00 13.03 C ATOM 1199 CD1 LEU A 80 18.619 26.054 -12.348 1.00 62.50 C ATOM 1200 CD2 LEU A 80 17.081 25.444 -10.472 1.00 25.30 C ATOM 0 H LEU A 80 21.601 26.133 -11.023 1.00 41.44 H new ATOM 0 HA LEU A 80 19.911 28.296 -10.608 1.00 74.33 H new ATOM 0 HB2 LEU A 80 19.935 25.398 -10.188 1.00 24.44 H new ATOM 0 HB3 LEU A 80 19.000 26.222 -8.956 1.00 24.44 H new ATOM 0 HG LEU A 80 17.800 27.403 -10.916 1.00 13.03 H new ATOM 0 HD11 LEU A 80 17.757 26.111 -13.012 1.00 62.50 H new ATOM 0 HD12 LEU A 80 19.376 26.767 -12.674 1.00 62.50 H new ATOM 0 HD13 LEU A 80 19.034 25.046 -12.378 1.00 62.50 H new ATOM 0 HD21 LEU A 80 16.241 25.509 -11.163 1.00 25.30 H new ATOM 0 HD22 LEU A 80 17.457 24.421 -10.454 1.00 25.30 H new ATOM 0 HD23 LEU A 80 16.752 25.728 -9.472 1.00 25.30 H new ATOM 1212 N ASN A 81 21.485 27.312 -7.885 1.00 55.40 N ATOM 1213 CA ASN A 81 21.824 27.703 -6.521 1.00 61.34 C ATOM 1214 C ASN A 81 22.292 29.154 -6.472 1.00 22.14 C ATOM 1215 O ASN A 81 21.701 29.984 -5.781 1.00 41.24 O ATOM 1216 CB ASN A 81 22.913 26.784 -5.962 1.00 14.50 C ATOM 1217 CG ASN A 81 22.491 25.328 -5.951 1.00 32.20 C ATOM 1218 OD1 ASN A 81 23.245 24.449 -6.368 1.00 72.41 O ATOM 1219 ND2 ASN A 81 21.280 25.066 -5.472 1.00 40.24 N ATOM 0 H ASN A 81 21.967 26.476 -8.216 1.00 55.40 H new ATOM 0 HA ASN A 81 20.928 27.609 -5.908 1.00 61.34 H new ATOM 0 HB2 ASN A 81 23.818 26.893 -6.559 1.00 14.50 H new ATOM 0 HB3 ASN A 81 23.162 27.095 -4.947 1.00 14.50 H new ATOM 0 HD21 ASN A 81 20.942 24.104 -5.439 1.00 40.24 H new ATOM 0 HD22 ASN A 81 20.689 25.826 -5.137 1.00 40.24 H new ATOM 1226 N SER A 82 23.357 29.452 -7.209 1.00 4.03 N ATOM 1227 CA SER A 82 23.907 30.802 -7.246 1.00 43.14 C ATOM 1228 C SER A 82 22.824 31.820 -7.590 1.00 44.34 C ATOM 1229 O SER A 82 22.665 32.830 -6.904 1.00 22.44 O ATOM 1230 CB SER A 82 25.043 30.884 -8.268 1.00 5.33 C ATOM 1231 OG SER A 82 26.285 30.541 -7.678 1.00 3.14 O ATOM 0 H SER A 82 23.856 28.777 -7.788 1.00 4.03 H new ATOM 0 HA SER A 82 24.300 31.036 -6.257 1.00 43.14 H new ATOM 0 HB2 SER A 82 24.835 30.213 -9.102 1.00 5.33 H new ATOM 0 HB3 SER A 82 25.097 31.893 -8.676 1.00 5.33 H new ATOM 0 HG SER A 82 26.994 30.599 -8.352 1.00 3.14 H new ATOM 1237 N ASP A 83 22.083 31.548 -8.658 1.00 72.43 N ATOM 1238 CA ASP A 83 21.014 32.438 -9.094 1.00 53.44 C ATOM 1239 C ASP A 83 20.005 32.667 -7.973 1.00 23.13 C ATOM 1240 O ASP A 83 19.609 33.801 -7.701 1.00 41.10 O ATOM 1241 CB ASP A 83 20.308 31.860 -10.322 1.00 33.13 C ATOM 1242 CG ASP A 83 21.160 31.943 -11.573 1.00 22.14 C ATOM 1243 OD1 ASP A 83 21.266 33.047 -12.146 1.00 11.01 O ATOM 1244 OD2 ASP A 83 21.721 30.903 -11.979 1.00 10.31 O ATOM 0 H ASP A 83 22.203 30.718 -9.238 1.00 72.43 H new ATOM 0 HA ASP A 83 21.460 33.397 -9.359 1.00 53.44 H new ATOM 0 HB2 ASP A 83 20.048 30.819 -10.131 1.00 33.13 H new ATOM 0 HB3 ASP A 83 19.374 32.397 -10.486 1.00 33.13 H new ATOM 1249 N LEU A 84 19.593 31.583 -7.325 1.00 71.21 N ATOM 1250 CA LEU A 84 18.629 31.664 -6.233 1.00 3.31 C ATOM 1251 C LEU A 84 19.074 32.684 -5.189 1.00 62.22 C ATOM 1252 O LEU A 84 18.357 33.639 -4.895 1.00 53.55 O ATOM 1253 CB LEU A 84 18.452 30.293 -5.579 1.00 63.44 C ATOM 1254 CG LEU A 84 17.822 30.289 -4.186 1.00 40.22 C ATOM 1255 CD1 LEU A 84 16.503 31.046 -4.195 1.00 40.02 C ATOM 1256 CD2 LEU A 84 17.617 28.863 -3.697 1.00 63.20 C ATOM 0 H LEU A 84 19.911 30.637 -7.537 1.00 71.21 H new ATOM 0 HA LEU A 84 17.674 31.988 -6.648 1.00 3.31 H new ATOM 0 HB2 LEU A 84 17.838 29.677 -6.235 1.00 63.44 H new ATOM 0 HB3 LEU A 84 19.429 29.815 -5.515 1.00 63.44 H new ATOM 0 HG LEU A 84 18.502 30.793 -3.499 1.00 40.22 H new ATOM 0 HD11 LEU A 84 16.069 31.033 -3.195 1.00 40.02 H new ATOM 0 HD12 LEU A 84 16.678 32.077 -4.501 1.00 40.02 H new ATOM 0 HD13 LEU A 84 15.816 30.571 -4.895 1.00 40.02 H new ATOM 0 HD21 LEU A 84 17.168 28.880 -2.704 1.00 63.20 H new ATOM 0 HD22 LEU A 84 16.957 28.334 -4.385 1.00 63.20 H new ATOM 0 HD23 LEU A 84 18.579 28.352 -3.651 1.00 63.20 H new ATOM 1268 N ALA A 85 20.263 32.474 -4.634 1.00 3.21 N ATOM 1269 CA ALA A 85 20.806 33.377 -3.626 1.00 52.14 C ATOM 1270 C ALA A 85 20.759 34.824 -4.104 1.00 41.52 C ATOM 1271 O ALA A 85 20.525 35.740 -3.316 1.00 71.10 O ATOM 1272 CB ALA A 85 22.232 32.981 -3.276 1.00 23.32 C ATOM 0 H ALA A 85 20.869 31.687 -4.865 1.00 3.21 H new ATOM 0 HA ALA A 85 20.189 33.297 -2.731 1.00 52.14 H new ATOM 0 HB1 ALA A 85 22.625 33.664 -2.522 1.00 23.32 H new ATOM 0 HB2 ALA A 85 22.241 31.964 -2.884 1.00 23.32 H new ATOM 0 HB3 ALA A 85 22.853 33.031 -4.170 1.00 23.32 H new ATOM 1278 N GLU A 86 20.984 35.023 -5.399 1.00 42.02 N ATOM 1279 CA GLU A 86 20.969 36.360 -5.980 1.00 50.33 C ATOM 1280 C GLU A 86 19.576 36.977 -5.890 1.00 1.01 C ATOM 1281 O GLU A 86 19.428 38.162 -5.588 1.00 34.14 O ATOM 1282 CB GLU A 86 21.423 36.311 -7.441 1.00 2.24 C ATOM 1283 CG GLU A 86 22.786 36.941 -7.676 1.00 13.22 C ATOM 1284 CD GLU A 86 22.691 38.387 -8.122 1.00 14.41 C ATOM 1285 OE1 GLU A 86 22.028 38.650 -9.147 1.00 44.33 O ATOM 1286 OE2 GLU A 86 23.279 39.256 -7.444 1.00 52.35 O ATOM 0 H GLU A 86 21.179 34.276 -6.065 1.00 42.02 H new ATOM 0 HA GLU A 86 21.661 36.982 -5.412 1.00 50.33 H new ATOM 0 HB2 GLU A 86 21.451 35.272 -7.769 1.00 2.24 H new ATOM 0 HB3 GLU A 86 20.685 36.821 -8.060 1.00 2.24 H new ATOM 0 HG2 GLU A 86 23.371 36.886 -6.758 1.00 13.22 H new ATOM 0 HG3 GLU A 86 23.322 36.366 -8.431 1.00 13.22 H new ATOM 1293 N LEU A 87 18.558 36.166 -6.154 1.00 61.45 N ATOM 1294 CA LEU A 87 17.176 36.630 -6.104 1.00 2.11 C ATOM 1295 C LEU A 87 16.783 37.017 -4.682 1.00 24.34 C ATOM 1296 O LEU A 87 16.205 38.080 -4.454 1.00 60.33 O ATOM 1297 CB LEU A 87 16.233 35.546 -6.629 1.00 24.12 C ATOM 1298 CG LEU A 87 16.510 35.045 -8.047 1.00 13.21 C ATOM 1299 CD1 LEU A 87 15.432 34.067 -8.487 1.00 72.20 C ATOM 1300 CD2 LEU A 87 16.600 36.214 -9.017 1.00 50.01 C ATOM 0 H LEU A 87 18.663 35.183 -6.405 1.00 61.45 H new ATOM 0 HA LEU A 87 17.092 37.513 -6.738 1.00 2.11 H new ATOM 0 HB2 LEU A 87 16.276 34.695 -5.949 1.00 24.12 H new ATOM 0 HB3 LEU A 87 15.214 35.931 -6.594 1.00 24.12 H new ATOM 0 HG LEU A 87 17.467 34.524 -8.048 1.00 13.21 H new ATOM 0 HD11 LEU A 87 15.645 33.721 -9.498 1.00 72.20 H new ATOM 0 HD12 LEU A 87 15.415 33.215 -7.808 1.00 72.20 H new ATOM 0 HD13 LEU A 87 14.462 34.563 -8.471 1.00 72.20 H new ATOM 0 HD21 LEU A 87 16.798 35.839 -10.021 1.00 50.01 H new ATOM 0 HD22 LEU A 87 15.658 36.763 -9.013 1.00 50.01 H new ATOM 0 HD23 LEU A 87 17.409 36.878 -8.712 1.00 50.01 H new ATOM 1312 N ILE A 88 17.103 36.148 -3.728 1.00 41.13 N ATOM 1313 CA ILE A 88 16.786 36.400 -2.328 1.00 44.51 C ATOM 1314 C ILE A 88 17.371 37.730 -1.863 1.00 52.14 C ATOM 1315 O ILE A 88 16.749 38.456 -1.088 1.00 63.35 O ATOM 1316 CB ILE A 88 17.315 35.275 -1.420 1.00 30.24 C ATOM 1317 CG1 ILE A 88 16.820 33.915 -1.915 1.00 73.44 C ATOM 1318 CG2 ILE A 88 16.883 35.509 0.020 1.00 11.21 C ATOM 1319 CD1 ILE A 88 15.313 33.813 -1.996 1.00 34.14 C ATOM 0 H ILE A 88 17.581 35.264 -3.900 1.00 41.13 H new ATOM 0 HA ILE A 88 15.699 36.437 -2.252 1.00 44.51 H new ATOM 0 HB ILE A 88 18.404 35.280 -1.458 1.00 30.24 H new ATOM 0 HG12 ILE A 88 17.243 33.720 -2.901 1.00 73.44 H new ATOM 0 HG13 ILE A 88 17.193 33.137 -1.249 1.00 73.44 H new ATOM 0 HG21 ILE A 88 17.265 34.705 0.650 1.00 11.21 H new ATOM 0 HG22 ILE A 88 17.280 36.463 0.369 1.00 11.21 H new ATOM 0 HG23 ILE A 88 15.795 35.527 0.075 1.00 11.21 H new ATOM 0 HD11 ILE A 88 15.034 32.822 -2.354 1.00 34.14 H new ATOM 0 HD12 ILE A 88 14.884 33.976 -1.007 1.00 34.14 H new ATOM 0 HD13 ILE A 88 14.934 34.568 -2.685 1.00 34.14 H new ATOM 1331 N ASN A 89 18.570 38.044 -2.344 1.00 74.32 N ATOM 1332 CA ASN A 89 19.238 39.287 -1.979 1.00 41.41 C ATOM 1333 C ASN A 89 18.422 40.496 -2.428 1.00 33.35 C ATOM 1334 O ASN A 89 18.083 41.364 -1.623 1.00 33.43 O ATOM 1335 CB ASN A 89 20.635 39.342 -2.602 1.00 34.22 C ATOM 1336 CG ASN A 89 21.712 39.648 -1.579 1.00 70.13 C ATOM 1337 OD1 ASN A 89 21.437 40.216 -0.522 1.00 52.14 O ATOM 1338 ND2 ASN A 89 22.947 39.272 -1.891 1.00 32.55 N ATOM 0 H ASN A 89 19.098 37.454 -2.987 1.00 74.32 H new ATOM 0 HA ASN A 89 19.330 39.315 -0.893 1.00 41.41 H new ATOM 0 HB2 ASN A 89 20.854 38.388 -3.082 1.00 34.22 H new ATOM 0 HB3 ASN A 89 20.652 40.103 -3.382 1.00 34.22 H new ATOM 0 HD21 ASN A 89 23.714 39.451 -1.243 1.00 32.55 H new ATOM 0 HD22 ASN A 89 23.129 38.804 -2.779 1.00 32.55 H new ATOM 1345 N LYS A 90 18.108 40.545 -3.718 1.00 4.32 N ATOM 1346 CA LYS A 90 17.330 41.645 -4.275 1.00 42.20 C ATOM 1347 C LYS A 90 16.047 41.862 -3.479 1.00 2.00 C ATOM 1348 O LYS A 90 15.685 42.995 -3.164 1.00 43.32 O ATOM 1349 CB LYS A 90 16.992 41.367 -5.741 1.00 62.43 C ATOM 1350 CG LYS A 90 18.205 41.027 -6.591 1.00 55.00 C ATOM 1351 CD LYS A 90 18.502 42.123 -7.601 1.00 22.31 C ATOM 1352 CE LYS A 90 18.103 41.707 -9.008 1.00 64.35 C ATOM 1353 NZ LYS A 90 19.255 41.147 -9.769 1.00 1.22 N ATOM 0 H LYS A 90 18.381 39.835 -4.398 1.00 4.32 H new ATOM 0 HA LYS A 90 17.933 42.551 -4.213 1.00 42.20 H new ATOM 0 HB2 LYS A 90 16.281 40.542 -5.791 1.00 62.43 H new ATOM 0 HB3 LYS A 90 16.497 42.241 -6.163 1.00 62.43 H new ATOM 0 HG2 LYS A 90 19.072 40.879 -5.947 1.00 55.00 H new ATOM 0 HG3 LYS A 90 18.032 40.086 -7.114 1.00 55.00 H new ATOM 0 HD2 LYS A 90 17.966 43.030 -7.323 1.00 22.31 H new ATOM 0 HD3 LYS A 90 19.565 42.361 -7.579 1.00 22.31 H new ATOM 0 HE2 LYS A 90 17.307 40.964 -8.955 1.00 64.35 H new ATOM 0 HE3 LYS A 90 17.700 42.568 -9.541 1.00 64.35 H new ATOM 0 HZ1 LYS A 90 18.942 40.875 -10.723 1.00 1.22 H new ATOM 0 HZ2 LYS A 90 20.005 41.864 -9.842 1.00 1.22 H new ATOM 0 HZ3 LYS A 90 19.624 40.310 -9.274 1.00 1.22 H new ATOM 1367 N MET A 91 15.365 40.768 -3.156 1.00 11.34 N ATOM 1368 CA MET A 91 14.124 40.840 -2.394 1.00 34.15 C ATOM 1369 C MET A 91 14.335 41.584 -1.079 1.00 30.12 C ATOM 1370 O MET A 91 13.541 42.449 -0.708 1.00 71.31 O ATOM 1371 CB MET A 91 13.588 39.434 -2.117 1.00 22.31 C ATOM 1372 CG MET A 91 12.142 39.415 -1.651 1.00 15.13 C ATOM 1373 SD MET A 91 11.965 38.822 0.043 1.00 60.43 S ATOM 1374 CE MET A 91 11.439 40.319 0.873 1.00 32.21 C ATOM 0 H MET A 91 15.650 39.822 -3.410 1.00 11.34 H new ATOM 0 HA MET A 91 13.394 41.389 -2.989 1.00 34.15 H new ATOM 0 HB2 MET A 91 13.677 38.835 -3.024 1.00 22.31 H new ATOM 0 HB3 MET A 91 14.211 38.959 -1.359 1.00 22.31 H new ATOM 0 HG2 MET A 91 11.727 40.420 -1.725 1.00 15.13 H new ATOM 0 HG3 MET A 91 11.558 38.780 -2.317 1.00 15.13 H new ATOM 0 HE1 MET A 91 12.067 40.490 1.748 1.00 32.21 H new ATOM 0 HE2 MET A 91 11.529 41.164 0.191 1.00 32.21 H new ATOM 0 HE3 MET A 91 10.400 40.215 1.187 1.00 32.21 H new ATOM 1384 N LYS A 92 15.410 41.242 -0.377 1.00 2.11 N ATOM 1385 CA LYS A 92 15.727 41.878 0.896 1.00 22.24 C ATOM 1386 C LYS A 92 15.941 43.377 0.717 1.00 0.45 C ATOM 1387 O LYS A 92 15.729 44.160 1.645 1.00 44.12 O ATOM 1388 CB LYS A 92 16.978 41.243 1.509 1.00 14.24 C ATOM 1389 CG LYS A 92 16.712 39.914 2.194 1.00 73.41 C ATOM 1390 CD LYS A 92 16.038 40.105 3.542 1.00 1.53 C ATOM 1391 CE LYS A 92 15.748 38.773 4.215 1.00 31.41 C ATOM 1392 NZ LYS A 92 14.776 38.916 5.334 1.00 0.12 N ATOM 0 H LYS A 92 16.077 40.527 -0.669 1.00 2.11 H new ATOM 0 HA LYS A 92 14.883 41.727 1.569 1.00 22.24 H new ATOM 0 HB2 LYS A 92 17.722 41.096 0.726 1.00 14.24 H new ATOM 0 HB3 LYS A 92 17.409 41.935 2.232 1.00 14.24 H new ATOM 0 HG2 LYS A 92 16.082 39.295 1.556 1.00 73.41 H new ATOM 0 HG3 LYS A 92 17.652 39.379 2.329 1.00 73.41 H new ATOM 0 HD2 LYS A 92 16.677 40.708 4.187 1.00 1.53 H new ATOM 0 HD3 LYS A 92 15.107 40.657 3.409 1.00 1.53 H new ATOM 0 HE2 LYS A 92 15.354 38.073 3.479 1.00 31.41 H new ATOM 0 HE3 LYS A 92 16.677 38.348 4.594 1.00 31.41 H new ATOM 0 HZ1 LYS A 92 14.424 37.977 5.610 1.00 0.12 H new ATOM 0 HZ2 LYS A 92 15.246 39.363 6.147 1.00 0.12 H new ATOM 0 HZ3 LYS A 92 13.978 39.508 5.027 1.00 0.12 H new ATOM 1406 N LEU A 93 16.360 43.772 -0.480 1.00 30.12 N ATOM 1407 CA LEU A 93 16.601 45.179 -0.781 1.00 32.21 C ATOM 1408 C LEU A 93 15.287 45.921 -1.004 1.00 32.33 C ATOM 1409 O LEU A 93 14.977 46.880 -0.298 1.00 35.55 O ATOM 1410 CB LEU A 93 17.490 45.311 -2.018 1.00 64.13 C ATOM 1411 CG LEU A 93 18.857 44.629 -1.939 1.00 33.14 C ATOM 1412 CD1 LEU A 93 19.616 44.800 -3.245 1.00 74.13 C ATOM 1413 CD2 LEU A 93 19.663 45.185 -0.774 1.00 44.24 C ATOM 0 H LEU A 93 16.540 43.138 -1.258 1.00 30.12 H new ATOM 0 HA LEU A 93 17.109 45.626 0.074 1.00 32.21 H new ATOM 0 HB2 LEU A 93 16.951 44.902 -2.873 1.00 64.13 H new ATOM 0 HB3 LEU A 93 17.646 46.371 -2.217 1.00 64.13 H new ATOM 0 HG LEU A 93 18.701 43.563 -1.771 1.00 33.14 H new ATOM 0 HD11 LEU A 93 20.586 44.308 -3.169 1.00 74.13 H new ATOM 0 HD12 LEU A 93 19.045 44.353 -4.059 1.00 74.13 H new ATOM 0 HD13 LEU A 93 19.762 45.862 -3.445 1.00 74.13 H new ATOM 0 HD21 LEU A 93 20.633 44.689 -0.733 1.00 44.24 H new ATOM 0 HD22 LEU A 93 19.809 46.256 -0.911 1.00 44.24 H new ATOM 0 HD23 LEU A 93 19.125 45.009 0.158 1.00 44.24 H new ATOM 1425 N ALA A 94 14.518 45.469 -1.989 1.00 32.21 N ATOM 1426 CA ALA A 94 13.235 46.087 -2.302 1.00 23.22 C ATOM 1427 C ALA A 94 12.363 46.202 -1.056 1.00 41.23 C ATOM 1428 O ALA A 94 11.536 47.107 -0.949 1.00 74.24 O ATOM 1429 CB ALA A 94 12.516 45.291 -3.381 1.00 15.52 C ATOM 0 H ALA A 94 14.761 44.677 -2.584 1.00 32.21 H new ATOM 0 HA ALA A 94 13.425 47.094 -2.674 1.00 23.22 H new ATOM 0 HB1 ALA A 94 11.560 45.763 -3.605 1.00 15.52 H new ATOM 0 HB2 ALA A 94 13.128 45.265 -4.283 1.00 15.52 H new ATOM 0 HB3 ALA A 94 12.345 44.274 -3.029 1.00 15.52 H new ATOM 1435 N GLN A 95 12.554 45.280 -0.118 1.00 71.04 N ATOM 1436 CA GLN A 95 11.783 45.279 1.119 1.00 34.30 C ATOM 1437 C GLN A 95 12.088 46.519 1.952 1.00 21.13 C ATOM 1438 O GLN A 95 11.203 47.073 2.604 1.00 64.00 O ATOM 1439 CB GLN A 95 12.083 44.018 1.931 1.00 62.52 C ATOM 1440 CG GLN A 95 10.874 43.466 2.668 1.00 74.31 C ATOM 1441 CD GLN A 95 11.256 42.643 3.883 1.00 54.42 C ATOM 1442 OE1 GLN A 95 12.103 43.048 4.679 1.00 64.20 O ATOM 1443 NE2 GLN A 95 10.630 41.481 4.032 1.00 44.40 N ATOM 0 H GLN A 95 13.236 44.525 -0.191 1.00 71.04 H new ATOM 0 HA GLN A 95 10.725 45.291 0.858 1.00 34.30 H new ATOM 0 HB2 GLN A 95 12.472 43.250 1.263 1.00 62.52 H new ATOM 0 HB3 GLN A 95 12.868 44.240 2.654 1.00 62.52 H new ATOM 0 HG2 GLN A 95 10.235 44.292 2.980 1.00 74.31 H new ATOM 0 HG3 GLN A 95 10.288 42.850 1.986 1.00 74.31 H new ATOM 0 HE21 GLN A 95 9.934 41.185 3.347 1.00 44.40 H new ATOM 0 HE22 GLN A 95 10.845 40.885 4.831 1.00 44.40 H new ATOM 1452 N GLN A 96 13.346 46.948 1.926 1.00 13.31 N ATOM 1453 CA GLN A 96 13.767 48.123 2.680 1.00 22.25 C ATOM 1454 C GLN A 96 13.698 49.378 1.817 1.00 1.01 C ATOM 1455 O GLN A 96 13.589 50.492 2.331 1.00 72.42 O ATOM 1456 CB GLN A 96 15.189 47.931 3.210 1.00 5.41 C ATOM 1457 CG GLN A 96 16.242 47.859 2.115 1.00 33.53 C ATOM 1458 CD GLN A 96 17.647 48.072 2.642 1.00 62.43 C ATOM 1459 OE1 GLN A 96 18.249 47.168 3.223 1.00 73.34 O ATOM 1460 NE2 GLN A 96 18.179 49.272 2.441 1.00 63.42 N ATOM 0 H GLN A 96 14.090 46.500 1.392 1.00 13.31 H new ATOM 0 HA GLN A 96 13.086 48.247 3.522 1.00 22.25 H new ATOM 0 HB2 GLN A 96 15.432 48.754 3.882 1.00 5.41 H new ATOM 0 HB3 GLN A 96 15.227 47.015 3.800 1.00 5.41 H new ATOM 0 HG2 GLN A 96 16.185 46.887 1.625 1.00 33.53 H new ATOM 0 HG3 GLN A 96 16.024 48.611 1.357 1.00 33.53 H new ATOM 0 HE21 GLN A 96 17.644 49.992 1.955 1.00 63.42 H new ATOM 0 HE22 GLN A 96 19.122 49.474 2.773 1.00 63.42 H new ATOM 1469 N TYR A 97 13.763 49.191 0.504 1.00 72.34 N ATOM 1470 CA TYR A 97 13.710 50.308 -0.431 1.00 44.43 C ATOM 1471 C TYR A 97 12.291 50.518 -0.951 1.00 3.14 C ATOM 1472 O TYR A 97 12.091 50.983 -2.073 1.00 14.34 O ATOM 1473 CB TYR A 97 14.664 50.066 -1.603 1.00 35.32 C ATOM 1474 CG TYR A 97 16.112 50.350 -1.274 1.00 53.22 C ATOM 1475 CD1 TYR A 97 16.499 51.582 -0.761 1.00 23.45 C ATOM 1476 CD2 TYR A 97 17.092 49.387 -1.477 1.00 24.15 C ATOM 1477 CE1 TYR A 97 17.821 51.846 -0.460 1.00 23.13 C ATOM 1478 CE2 TYR A 97 18.417 49.642 -1.177 1.00 72.12 C ATOM 1479 CZ TYR A 97 18.776 50.873 -0.670 1.00 22.05 C ATOM 1480 OH TYR A 97 20.094 51.132 -0.370 1.00 21.12 O ATOM 0 H TYR A 97 13.853 48.276 0.063 1.00 72.34 H new ATOM 0 HA TYR A 97 14.019 51.208 0.101 1.00 44.43 H new ATOM 0 HB2 TYR A 97 14.571 49.030 -1.928 1.00 35.32 H new ATOM 0 HB3 TYR A 97 14.361 50.692 -2.442 1.00 35.32 H new ATOM 0 HD1 TYR A 97 15.754 52.346 -0.595 1.00 23.45 H new ATOM 0 HD2 TYR A 97 16.814 48.423 -1.876 1.00 24.15 H new ATOM 0 HE1 TYR A 97 18.105 52.809 -0.062 1.00 23.13 H new ATOM 0 HE2 TYR A 97 19.167 48.882 -1.339 1.00 72.12 H new ATOM 0 HH TYR A 97 20.637 50.343 -0.575 1.00 21.12 H new ATOM 1490 N VAL A 98 11.309 50.172 -0.125 1.00 32.21 N ATOM 1491 CA VAL A 98 9.908 50.323 -0.498 1.00 55.12 C ATOM 1492 C VAL A 98 9.275 51.515 0.211 1.00 4.23 C ATOM 1493 O VAL A 98 8.392 52.177 -0.333 1.00 4.41 O ATOM 1494 CB VAL A 98 9.099 49.055 -0.168 1.00 34.35 C ATOM 1495 CG1 VAL A 98 9.140 48.769 1.326 1.00 51.11 C ATOM 1496 CG2 VAL A 98 7.664 49.197 -0.652 1.00 14.20 C ATOM 0 H VAL A 98 11.458 49.785 0.807 1.00 32.21 H new ATOM 0 HA VAL A 98 9.884 50.490 -1.575 1.00 55.12 H new ATOM 0 HB VAL A 98 9.552 48.211 -0.688 1.00 34.35 H new ATOM 0 HG11 VAL A 98 8.563 47.869 1.540 1.00 51.11 H new ATOM 0 HG12 VAL A 98 10.173 48.621 1.640 1.00 51.11 H new ATOM 0 HG13 VAL A 98 8.713 49.612 1.870 1.00 51.11 H new ATOM 0 HG21 VAL A 98 7.107 48.292 -0.410 1.00 14.20 H new ATOM 0 HG22 VAL A 98 7.198 50.052 -0.162 1.00 14.20 H new ATOM 0 HG23 VAL A 98 7.657 49.350 -1.731 1.00 14.20 H new ATOM 1506 N MET A 99 9.734 51.783 1.430 1.00 41.15 N ATOM 1507 CA MET A 99 9.214 52.897 2.214 1.00 43.45 C ATOM 1508 C MET A 99 9.550 54.231 1.552 1.00 31.54 C ATOM 1509 O MET A 99 8.973 55.265 1.888 1.00 14.24 O ATOM 1510 CB MET A 99 9.785 52.861 3.633 1.00 71.45 C ATOM 1511 CG MET A 99 11.233 53.315 3.717 1.00 22.41 C ATOM 1512 SD MET A 99 12.102 52.606 5.129 1.00 12.15 S ATOM 1513 CE MET A 99 13.793 52.645 4.541 1.00 1.22 C ATOM 0 H MET A 99 10.464 51.244 1.895 1.00 41.15 H new ATOM 0 HA MET A 99 8.130 52.799 2.264 1.00 43.45 H new ATOM 0 HB2 MET A 99 9.176 53.495 4.277 1.00 71.45 H new ATOM 0 HB3 MET A 99 9.708 51.845 4.021 1.00 71.45 H new ATOM 0 HG2 MET A 99 11.751 53.036 2.799 1.00 22.41 H new ATOM 0 HG3 MET A 99 11.266 54.402 3.784 1.00 22.41 H new ATOM 0 HE1 MET A 99 14.199 51.634 4.535 1.00 1.22 H new ATOM 0 HE2 MET A 99 13.817 53.052 3.530 1.00 1.22 H new ATOM 0 HE3 MET A 99 14.393 53.273 5.200 1.00 1.22 H new ATOM 1523 N THR A 100 10.487 54.200 0.610 1.00 24.53 N ATOM 1524 CA THR A 100 10.901 55.405 -0.097 1.00 13.24 C ATOM 1525 C THR A 100 10.028 55.651 -1.322 1.00 71.51 C ATOM 1526 O THR A 100 9.157 56.520 -1.312 1.00 11.35 O ATOM 1527 CB THR A 100 12.374 55.320 -0.538 1.00 51.24 C ATOM 1528 OG1 THR A 100 12.801 53.954 -0.558 1.00 64.31 O ATOM 1529 CG2 THR A 100 13.266 56.123 0.396 1.00 23.45 C ATOM 0 H THR A 100 10.974 53.352 0.319 1.00 24.53 H new ATOM 0 HA THR A 100 10.786 56.235 0.600 1.00 13.24 H new ATOM 0 HB THR A 100 12.455 55.740 -1.541 1.00 51.24 H new ATOM 0 HG1 THR A 100 13.738 53.908 -0.841 1.00 64.31 H new ATOM 0 HG21 THR A 100 14.302 56.048 0.064 1.00 23.45 H new ATOM 0 HG22 THR A 100 12.957 57.168 0.385 1.00 23.45 H new ATOM 0 HG23 THR A 100 13.180 55.729 1.409 1.00 23.45 H new ATOM 1537 N SER A 101 10.267 54.878 -2.377 1.00 55.01 N ATOM 1538 CA SER A 101 9.503 55.014 -3.612 1.00 45.03 C ATOM 1539 C SER A 101 10.022 54.055 -4.680 1.00 4.43 C ATOM 1540 O SER A 101 9.263 53.576 -5.523 1.00 11.03 O ATOM 1541 CB SER A 101 9.575 56.454 -4.125 1.00 63.41 C ATOM 1542 OG SER A 101 8.293 57.058 -4.130 1.00 65.20 O ATOM 0 H SER A 101 10.983 54.152 -2.401 1.00 55.01 H new ATOM 0 HA SER A 101 8.464 54.764 -3.397 1.00 45.03 H new ATOM 0 HB2 SER A 101 10.251 57.034 -3.497 1.00 63.41 H new ATOM 0 HB3 SER A 101 9.989 56.464 -5.133 1.00 63.41 H new ATOM 0 HG SER A 101 7.977 57.162 -3.208 1.00 65.20 H new ATOM 1548 N LEU A 102 11.321 53.780 -4.637 1.00 43.35 N ATOM 1549 CA LEU A 102 11.944 52.879 -5.601 1.00 22.35 C ATOM 1550 C LEU A 102 11.615 51.425 -5.277 1.00 71.13 C ATOM 1551 O LEU A 102 12.508 50.620 -5.016 1.00 45.12 O ATOM 1552 CB LEU A 102 13.461 53.080 -5.611 1.00 15.04 C ATOM 1553 CG LEU A 102 14.160 52.978 -4.255 1.00 22.51 C ATOM 1554 CD1 LEU A 102 15.449 52.180 -4.378 1.00 43.14 C ATOM 1555 CD2 LEU A 102 14.440 54.364 -3.693 1.00 62.21 C ATOM 0 H LEU A 102 11.963 54.168 -3.946 1.00 43.35 H new ATOM 0 HA LEU A 102 11.546 53.112 -6.589 1.00 22.35 H new ATOM 0 HB2 LEU A 102 13.901 52.341 -6.281 1.00 15.04 H new ATOM 0 HB3 LEU A 102 13.675 54.061 -6.035 1.00 15.04 H new ATOM 0 HG LEU A 102 13.498 52.456 -3.565 1.00 22.51 H new ATOM 0 HD11 LEU A 102 15.933 52.118 -3.403 1.00 43.14 H new ATOM 0 HD12 LEU A 102 15.222 51.175 -4.735 1.00 43.14 H new ATOM 0 HD13 LEU A 102 16.117 52.674 -5.084 1.00 43.14 H new ATOM 0 HD21 LEU A 102 14.938 54.271 -2.728 1.00 62.21 H new ATOM 0 HD22 LEU A 102 15.083 54.913 -4.381 1.00 62.21 H new ATOM 0 HD23 LEU A 102 13.500 54.902 -3.567 1.00 62.21 H new ATOM 1567 N GLN A 103 10.327 51.096 -5.299 1.00 42.20 N ATOM 1568 CA GLN A 103 9.881 49.739 -5.010 1.00 32.44 C ATOM 1569 C GLN A 103 9.665 48.950 -6.297 1.00 51.53 C ATOM 1570 O GLN A 103 10.194 47.851 -6.459 1.00 3.42 O ATOM 1571 CB GLN A 103 8.588 49.768 -4.192 1.00 61.45 C ATOM 1572 CG GLN A 103 7.505 50.645 -4.798 1.00 52.24 C ATOM 1573 CD GLN A 103 6.344 50.877 -3.851 1.00 51.14 C ATOM 1574 OE1 GLN A 103 5.701 49.931 -3.395 1.00 63.13 O ATOM 1575 NE2 GLN A 103 6.069 52.141 -3.550 1.00 72.30 N ATOM 0 H GLN A 103 9.575 51.751 -5.514 1.00 42.20 H new ATOM 0 HA GLN A 103 10.659 49.244 -4.429 1.00 32.44 H new ATOM 0 HB2 GLN A 103 8.208 48.751 -4.093 1.00 61.45 H new ATOM 0 HB3 GLN A 103 8.812 50.124 -3.186 1.00 61.45 H new ATOM 0 HG2 GLN A 103 7.936 51.605 -5.080 1.00 52.24 H new ATOM 0 HG3 GLN A 103 7.136 50.180 -5.712 1.00 52.24 H new ATOM 0 HE21 GLN A 103 6.628 52.894 -3.951 1.00 72.30 H new ATOM 0 HE22 GLN A 103 5.299 52.359 -2.918 1.00 72.30 H new ATOM 1584 N GLN A 104 8.884 49.520 -7.210 1.00 31.32 N ATOM 1585 CA GLN A 104 8.598 48.869 -8.483 1.00 35.23 C ATOM 1586 C GLN A 104 9.885 48.576 -9.246 1.00 30.41 C ATOM 1587 O GLN A 104 10.016 47.530 -9.882 1.00 13.23 O ATOM 1588 CB GLN A 104 7.676 49.746 -9.332 1.00 34.41 C ATOM 1589 CG GLN A 104 6.206 49.619 -8.964 1.00 22.52 C ATOM 1590 CD GLN A 104 5.591 50.941 -8.551 1.00 5.31 C ATOM 1591 OE1 GLN A 104 6.259 51.793 -7.963 1.00 20.43 O ATOM 1592 NE2 GLN A 104 4.312 51.121 -8.858 1.00 1.42 N ATOM 0 H GLN A 104 8.439 50.430 -7.092 1.00 31.32 H new ATOM 0 HA GLN A 104 8.098 47.923 -8.275 1.00 35.23 H new ATOM 0 HB2 GLN A 104 7.980 50.787 -9.226 1.00 34.41 H new ATOM 0 HB3 GLN A 104 7.803 49.482 -10.382 1.00 34.41 H new ATOM 0 HG2 GLN A 104 5.656 49.217 -9.815 1.00 22.52 H new ATOM 0 HG3 GLN A 104 6.100 48.903 -8.149 1.00 22.52 H new ATOM 0 HE21 GLN A 104 3.797 50.388 -9.346 1.00 1.42 H new ATOM 0 HE22 GLN A 104 3.845 51.992 -8.606 1.00 1.42 H new ATOM 1601 N GLU A 105 10.832 49.506 -9.178 1.00 64.31 N ATOM 1602 CA GLU A 105 12.109 49.346 -9.864 1.00 40.24 C ATOM 1603 C GLU A 105 12.775 48.030 -9.475 1.00 61.54 C ATOM 1604 O GLU A 105 13.011 47.167 -10.322 1.00 5.13 O ATOM 1605 CB GLU A 105 13.039 50.517 -9.538 1.00 33.25 C ATOM 1606 CG GLU A 105 12.910 51.684 -10.502 1.00 12.03 C ATOM 1607 CD GLU A 105 14.249 52.307 -10.846 1.00 72.45 C ATOM 1608 OE1 GLU A 105 14.714 53.174 -10.078 1.00 24.01 O ATOM 1609 OE2 GLU A 105 14.831 51.927 -11.884 1.00 54.10 O ATOM 0 H GLU A 105 10.739 50.377 -8.656 1.00 64.31 H new ATOM 0 HA GLU A 105 11.916 49.332 -10.937 1.00 40.24 H new ATOM 0 HB2 GLU A 105 12.828 50.867 -8.527 1.00 33.25 H new ATOM 0 HB3 GLU A 105 14.070 50.164 -9.545 1.00 33.25 H new ATOM 0 HG2 GLU A 105 12.426 51.343 -11.417 1.00 12.03 H new ATOM 0 HG3 GLU A 105 12.262 52.443 -10.063 1.00 12.03 H new ATOM 1616 N TYR A 106 13.075 47.883 -8.190 1.00 24.32 N ATOM 1617 CA TYR A 106 13.717 46.673 -7.688 1.00 51.22 C ATOM 1618 C TYR A 106 12.943 45.429 -8.114 1.00 11.32 C ATOM 1619 O TYR A 106 13.531 44.402 -8.453 1.00 5.44 O ATOM 1620 CB TYR A 106 13.825 46.723 -6.163 1.00 43.22 C ATOM 1621 CG TYR A 106 15.184 47.163 -5.667 1.00 10.22 C ATOM 1622 CD1 TYR A 106 16.278 46.309 -5.726 1.00 73.43 C ATOM 1623 CD2 TYR A 106 15.374 48.435 -5.139 1.00 20.50 C ATOM 1624 CE1 TYR A 106 17.520 46.706 -5.273 1.00 45.31 C ATOM 1625 CE2 TYR A 106 16.614 48.841 -4.685 1.00 13.42 C ATOM 1626 CZ TYR A 106 17.684 47.974 -4.753 1.00 74.45 C ATOM 1627 OH TYR A 106 18.920 48.374 -4.302 1.00 43.13 O ATOM 0 H TYR A 106 12.884 48.586 -7.476 1.00 24.32 H new ATOM 0 HA TYR A 106 14.719 46.620 -8.115 1.00 51.22 H new ATOM 0 HB2 TYR A 106 13.068 47.405 -5.776 1.00 43.22 H new ATOM 0 HB3 TYR A 106 13.602 45.736 -5.759 1.00 43.22 H new ATOM 0 HD1 TYR A 106 16.155 45.317 -6.134 1.00 73.43 H new ATOM 0 HD2 TYR A 106 14.538 49.117 -5.083 1.00 20.50 H new ATOM 0 HE1 TYR A 106 18.359 46.028 -5.325 1.00 45.31 H new ATOM 0 HE2 TYR A 106 16.745 49.833 -4.279 1.00 13.42 H new ATOM 0 HH TYR A 106 18.834 48.750 -3.401 1.00 43.13 H new ATOM 1637 N LYS A 107 11.618 45.530 -8.094 1.00 61.43 N ATOM 1638 CA LYS A 107 10.760 44.415 -8.479 1.00 43.24 C ATOM 1639 C LYS A 107 10.896 44.113 -9.968 1.00 41.44 C ATOM 1640 O LYS A 107 10.842 42.956 -10.386 1.00 11.25 O ATOM 1641 CB LYS A 107 9.301 44.728 -8.143 1.00 14.51 C ATOM 1642 CG LYS A 107 8.921 44.393 -6.711 1.00 2.42 C ATOM 1643 CD LYS A 107 7.575 44.990 -6.337 1.00 34.44 C ATOM 1644 CE LYS A 107 7.728 46.139 -5.353 1.00 2.51 C ATOM 1645 NZ LYS A 107 6.890 47.310 -5.733 1.00 43.31 N ATOM 0 H LYS A 107 11.115 46.372 -7.815 1.00 61.43 H new ATOM 0 HA LYS A 107 11.075 43.536 -7.917 1.00 43.24 H new ATOM 0 HB2 LYS A 107 9.115 45.787 -8.321 1.00 14.51 H new ATOM 0 HB3 LYS A 107 8.653 44.172 -8.821 1.00 14.51 H new ATOM 0 HG2 LYS A 107 8.887 43.311 -6.586 1.00 2.42 H new ATOM 0 HG3 LYS A 107 9.688 44.768 -6.033 1.00 2.42 H new ATOM 0 HD2 LYS A 107 7.071 45.344 -7.236 1.00 34.44 H new ATOM 0 HD3 LYS A 107 6.942 44.218 -5.900 1.00 34.44 H new ATOM 0 HE2 LYS A 107 7.449 45.802 -4.355 1.00 2.51 H new ATOM 0 HE3 LYS A 107 8.774 46.441 -5.307 1.00 2.51 H new ATOM 0 HZ1 LYS A 107 6.664 47.866 -4.883 1.00 43.31 H new ATOM 0 HZ2 LYS A 107 7.411 47.906 -6.408 1.00 43.31 H new ATOM 0 HZ3 LYS A 107 6.008 46.978 -6.174 1.00 43.31 H new ATOM 1659 N LYS A 108 11.074 45.161 -10.766 1.00 4.00 N ATOM 1660 CA LYS A 108 11.221 45.009 -12.209 1.00 22.24 C ATOM 1661 C LYS A 108 12.440 44.156 -12.545 1.00 23.25 C ATOM 1662 O LYS A 108 12.312 43.069 -13.108 1.00 12.14 O ATOM 1663 CB LYS A 108 11.345 46.380 -12.877 1.00 21.11 C ATOM 1664 CG LYS A 108 10.124 46.772 -13.691 1.00 45.23 C ATOM 1665 CD LYS A 108 10.126 48.256 -14.020 1.00 24.24 C ATOM 1666 CE LYS A 108 10.536 48.507 -15.463 1.00 33.32 C ATOM 1667 NZ LYS A 108 10.752 49.955 -15.734 1.00 62.12 N ATOM 0 H LYS A 108 11.120 46.125 -10.437 1.00 4.00 H new ATOM 0 HA LYS A 108 10.332 44.506 -12.588 1.00 22.24 H new ATOM 0 HB2 LYS A 108 11.517 47.135 -12.110 1.00 21.11 H new ATOM 0 HB3 LYS A 108 12.220 46.381 -13.527 1.00 21.11 H new ATOM 0 HG2 LYS A 108 10.100 46.194 -14.615 1.00 45.23 H new ATOM 0 HG3 LYS A 108 9.220 46.523 -13.136 1.00 45.23 H new ATOM 0 HD2 LYS A 108 9.133 48.670 -13.846 1.00 24.24 H new ATOM 0 HD3 LYS A 108 10.810 48.777 -13.350 1.00 24.24 H new ATOM 0 HE2 LYS A 108 11.451 47.956 -15.682 1.00 33.32 H new ATOM 0 HE3 LYS A 108 9.765 48.123 -16.132 1.00 33.32 H new ATOM 0 HZ1 LYS A 108 11.030 50.084 -16.728 1.00 62.12 H new ATOM 0 HZ2 LYS A 108 9.872 50.478 -15.550 1.00 62.12 H new ATOM 0 HZ3 LYS A 108 11.505 50.316 -15.114 1.00 62.12 H new ATOM 1681 N GLN A 109 13.621 44.655 -12.194 1.00 1.21 N ATOM 1682 CA GLN A 109 14.862 43.937 -12.458 1.00 44.31 C ATOM 1683 C GLN A 109 14.779 42.501 -11.953 1.00 34.30 C ATOM 1684 O GLN A 109 15.392 41.597 -12.520 1.00 33.32 O ATOM 1685 CB GLN A 109 16.041 44.655 -11.798 1.00 64.43 C ATOM 1686 CG GLN A 109 16.109 46.138 -12.122 1.00 43.30 C ATOM 1687 CD GLN A 109 15.824 46.431 -13.582 1.00 30.31 C ATOM 1688 OE1 GLN A 109 16.284 45.714 -14.472 1.00 13.52 O ATOM 1689 NE2 GLN A 109 15.061 47.488 -13.836 1.00 64.32 N ATOM 0 H GLN A 109 13.744 45.553 -11.726 1.00 1.21 H new ATOM 0 HA GLN A 109 15.017 43.914 -13.537 1.00 44.31 H new ATOM 0 HB2 GLN A 109 15.972 44.531 -10.717 1.00 64.43 H new ATOM 0 HB3 GLN A 109 16.969 44.179 -12.115 1.00 64.43 H new ATOM 0 HG2 GLN A 109 15.392 46.675 -11.501 1.00 43.30 H new ATOM 0 HG3 GLN A 109 17.098 46.517 -11.866 1.00 43.30 H new ATOM 0 HE21 GLN A 109 14.701 48.054 -13.067 1.00 64.32 H new ATOM 0 HE22 GLN A 109 14.835 47.734 -14.800 1.00 64.32 H new ATOM 1698 N MET A 110 14.016 42.298 -10.883 1.00 41.35 N ATOM 1699 CA MET A 110 13.852 40.971 -10.303 1.00 31.23 C ATOM 1700 C MET A 110 13.194 40.020 -11.297 1.00 71.24 C ATOM 1701 O MET A 110 13.714 38.938 -11.575 1.00 41.42 O ATOM 1702 CB MET A 110 13.015 41.050 -9.025 1.00 32.14 C ATOM 1703 CG MET A 110 13.426 40.040 -7.965 1.00 71.04 C ATOM 1704 SD MET A 110 12.021 39.144 -7.278 1.00 34.32 S ATOM 1705 CE MET A 110 12.063 37.645 -8.258 1.00 35.04 C ATOM 0 H MET A 110 13.502 43.036 -10.401 1.00 41.35 H new ATOM 0 HA MET A 110 14.841 40.584 -10.058 1.00 31.23 H new ATOM 0 HB2 MET A 110 13.096 42.054 -8.609 1.00 32.14 H new ATOM 0 HB3 MET A 110 11.966 40.893 -9.277 1.00 32.14 H new ATOM 0 HG2 MET A 110 14.128 39.329 -8.399 1.00 71.04 H new ATOM 0 HG3 MET A 110 13.951 40.556 -7.161 1.00 71.04 H new ATOM 0 HE1 MET A 110 11.251 36.986 -7.950 1.00 35.04 H new ATOM 0 HE2 MET A 110 11.946 37.896 -9.312 1.00 35.04 H new ATOM 0 HE3 MET A 110 13.017 37.139 -8.109 1.00 35.04 H new ATOM 1715 N LEU A 111 12.048 40.429 -11.830 1.00 71.35 N ATOM 1716 CA LEU A 111 11.318 39.613 -12.795 1.00 23.43 C ATOM 1717 C LEU A 111 12.230 39.173 -13.936 1.00 32.31 C ATOM 1718 O LEU A 111 12.133 38.046 -14.424 1.00 2.11 O ATOM 1719 CB LEU A 111 10.125 40.390 -13.351 1.00 55.51 C ATOM 1720 CG LEU A 111 10.400 41.250 -14.586 1.00 32.33 C ATOM 1721 CD1 LEU A 111 10.238 40.428 -15.855 1.00 34.20 C ATOM 1722 CD2 LEU A 111 9.477 42.459 -14.610 1.00 1.50 C ATOM 0 H LEU A 111 11.604 41.321 -11.611 1.00 71.35 H new ATOM 0 HA LEU A 111 10.955 38.723 -12.280 1.00 23.43 H new ATOM 0 HB2 LEU A 111 9.336 39.679 -13.597 1.00 55.51 H new ATOM 0 HB3 LEU A 111 9.738 41.035 -12.562 1.00 55.51 H new ATOM 0 HG LEU A 111 11.429 41.605 -14.536 1.00 32.33 H new ATOM 0 HD11 LEU A 111 10.437 41.056 -16.723 1.00 34.20 H new ATOM 0 HD12 LEU A 111 10.940 39.595 -15.841 1.00 34.20 H new ATOM 0 HD13 LEU A 111 9.220 40.043 -15.912 1.00 34.20 H new ATOM 0 HD21 LEU A 111 9.687 43.059 -15.495 1.00 1.50 H new ATOM 0 HD22 LEU A 111 8.440 42.125 -14.636 1.00 1.50 H new ATOM 0 HD23 LEU A 111 9.642 43.061 -13.716 1.00 1.50 H new ATOM 1734 N THR A 112 13.117 40.069 -14.357 1.00 23.33 N ATOM 1735 CA THR A 112 14.047 39.773 -15.439 1.00 41.34 C ATOM 1736 C THR A 112 14.889 38.543 -15.121 1.00 3.44 C ATOM 1737 O THR A 112 14.946 37.598 -15.906 1.00 62.12 O ATOM 1738 CB THR A 112 14.983 40.965 -15.717 1.00 23.34 C ATOM 1739 OG1 THR A 112 14.276 42.196 -15.533 1.00 42.35 O ATOM 1740 CG2 THR A 112 15.539 40.899 -17.131 1.00 71.42 C ATOM 0 H THR A 112 13.211 41.006 -13.965 1.00 23.33 H new ATOM 0 HA THR A 112 13.446 39.577 -16.327 1.00 41.34 H new ATOM 0 HB THR A 112 15.815 40.916 -15.015 1.00 23.34 H new ATOM 0 HG1 THR A 112 14.878 42.949 -15.710 1.00 42.35 H new ATOM 0 HG21 THR A 112 16.197 41.751 -17.303 1.00 71.42 H new ATOM 0 HG22 THR A 112 16.102 39.974 -17.258 1.00 71.42 H new ATOM 0 HG23 THR A 112 14.717 40.924 -17.847 1.00 71.42 H new ATOM 1748 N ALA A 113 15.542 38.562 -13.963 1.00 14.42 N ATOM 1749 CA ALA A 113 16.379 37.447 -13.539 1.00 72.12 C ATOM 1750 C ALA A 113 15.565 36.162 -13.426 1.00 2.24 C ATOM 1751 O ALA A 113 15.942 35.127 -13.975 1.00 54.42 O ATOM 1752 CB ALA A 113 17.052 37.766 -12.213 1.00 3.51 C ATOM 0 H ALA A 113 15.507 39.338 -13.302 1.00 14.42 H new ATOM 0 HA ALA A 113 17.148 37.294 -14.296 1.00 72.12 H new ATOM 0 HB1 ALA A 113 17.674 36.924 -11.909 1.00 3.51 H new ATOM 0 HB2 ALA A 113 17.673 38.654 -12.325 1.00 3.51 H new ATOM 0 HB3 ALA A 113 16.292 37.948 -11.454 1.00 3.51 H new ATOM 1758 N ALA A 114 14.449 36.236 -12.709 1.00 33.35 N ATOM 1759 CA ALA A 114 13.582 35.079 -12.524 1.00 74.32 C ATOM 1760 C ALA A 114 13.060 34.565 -13.862 1.00 24.41 C ATOM 1761 O ALA A 114 12.753 33.381 -14.006 1.00 62.24 O ATOM 1762 CB ALA A 114 12.422 35.429 -11.603 1.00 43.44 C ATOM 0 H ALA A 114 14.124 37.085 -12.247 1.00 33.35 H new ATOM 0 HA ALA A 114 14.171 34.286 -12.063 1.00 74.32 H new ATOM 0 HB1 ALA A 114 11.783 34.555 -11.474 1.00 43.44 H new ATOM 0 HB2 ALA A 114 12.809 35.742 -10.633 1.00 43.44 H new ATOM 0 HB3 ALA A 114 11.842 36.241 -12.041 1.00 43.44 H new ATOM 1768 N HIS A 115 12.962 35.462 -14.838 1.00 23.32 N ATOM 1769 CA HIS A 115 12.478 35.098 -16.165 1.00 14.14 C ATOM 1770 C HIS A 115 13.417 34.098 -16.831 1.00 23.20 C ATOM 1771 O HIS A 115 13.045 32.951 -17.077 1.00 23.23 O ATOM 1772 CB HIS A 115 12.338 36.345 -17.039 1.00 34.41 C ATOM 1773 CG HIS A 115 11.607 36.097 -18.323 1.00 24.32 C ATOM 1774 ND1 HIS A 115 10.620 36.932 -18.800 1.00 50.45 N ATOM 1775 CD2 HIS A 115 11.727 35.100 -19.231 1.00 53.31 C ATOM 1776 CE1 HIS A 115 10.162 36.460 -19.946 1.00 63.21 C ATOM 1777 NE2 HIS A 115 10.818 35.349 -20.230 1.00 72.20 N ATOM 0 H HIS A 115 13.211 36.446 -14.735 1.00 23.32 H new ATOM 0 HA HIS A 115 11.500 34.630 -16.052 1.00 14.14 H new ATOM 0 HB2 HIS A 115 11.814 37.117 -16.475 1.00 34.41 H new ATOM 0 HB3 HIS A 115 13.331 36.734 -17.265 1.00 34.41 H new ATOM 0 HD2 HIS A 115 12.410 34.265 -19.179 1.00 53.31 H new ATOM 0 HE1 HIS A 115 9.384 36.906 -20.548 1.00 63.21 H new ATOM 0 HE2 HIS A 115 10.673 34.770 -21.057 1.00 72.20 H new ATOM 1785 N ALA A 116 14.636 34.541 -17.121 1.00 61.03 N ATOM 1786 CA ALA A 116 15.629 33.684 -17.758 1.00 11.41 C ATOM 1787 C ALA A 116 15.859 32.414 -16.946 1.00 43.13 C ATOM 1788 O ALA A 116 15.976 31.322 -17.503 1.00 73.35 O ATOM 1789 CB ALA A 116 16.937 34.439 -17.943 1.00 11.55 C ATOM 0 H ALA A 116 14.960 35.488 -16.925 1.00 61.03 H new ATOM 0 HA ALA A 116 15.248 33.394 -18.737 1.00 11.41 H new ATOM 0 HB1 ALA A 116 17.669 33.787 -18.420 1.00 11.55 H new ATOM 0 HB2 ALA A 116 16.767 35.314 -18.571 1.00 11.55 H new ATOM 0 HB3 ALA A 116 17.314 34.758 -16.971 1.00 11.55 H new ATOM 1795 N LEU A 117 15.925 32.564 -15.628 1.00 71.30 N ATOM 1796 CA LEU A 117 16.142 31.428 -14.739 1.00 23.21 C ATOM 1797 C LEU A 117 14.994 30.429 -14.840 1.00 54.43 C ATOM 1798 O LEU A 117 15.212 29.235 -15.038 1.00 62.34 O ATOM 1799 CB LEU A 117 16.291 31.907 -13.294 1.00 14.01 C ATOM 1800 CG LEU A 117 17.186 31.056 -12.393 1.00 44.11 C ATOM 1801 CD1 LEU A 117 16.586 29.673 -12.196 1.00 73.12 C ATOM 1802 CD2 LEU A 117 18.587 30.953 -12.979 1.00 22.35 C ATOM 0 H LEU A 117 15.831 33.461 -15.151 1.00 71.30 H new ATOM 0 HA LEU A 117 17.061 30.929 -15.046 1.00 23.21 H new ATOM 0 HB2 LEU A 117 16.685 32.923 -13.308 1.00 14.01 H new ATOM 0 HB3 LEU A 117 15.299 31.956 -12.845 1.00 14.01 H new ATOM 0 HG LEU A 117 17.255 31.541 -11.419 1.00 44.11 H new ATOM 0 HD11 LEU A 117 17.237 29.082 -11.552 1.00 73.12 H new ATOM 0 HD12 LEU A 117 15.604 29.765 -11.732 1.00 73.12 H new ATOM 0 HD13 LEU A 117 16.486 29.179 -13.162 1.00 73.12 H new ATOM 0 HD21 LEU A 117 19.211 30.344 -12.325 1.00 22.35 H new ATOM 0 HD22 LEU A 117 18.536 30.491 -13.965 1.00 22.35 H new ATOM 0 HD23 LEU A 117 19.019 31.950 -13.067 1.00 22.35 H new ATOM 1814 N ALA A 118 13.769 30.928 -14.705 1.00 42.20 N ATOM 1815 CA ALA A 118 12.586 30.081 -14.786 1.00 31.14 C ATOM 1816 C ALA A 118 12.603 29.233 -16.053 1.00 52.52 C ATOM 1817 O ALA A 118 12.381 28.023 -16.006 1.00 53.52 O ATOM 1818 CB ALA A 118 11.324 30.930 -14.733 1.00 23.22 C ATOM 0 H ALA A 118 13.571 31.915 -14.539 1.00 42.20 H new ATOM 0 HA ALA A 118 12.593 29.407 -13.930 1.00 31.14 H new ATOM 0 HB1 ALA A 118 10.448 30.284 -14.794 1.00 23.22 H new ATOM 0 HB2 ALA A 118 11.299 31.487 -13.796 1.00 23.22 H new ATOM 0 HB3 ALA A 118 11.320 31.628 -15.570 1.00 23.22 H new ATOM 1824 N VAL A 119 12.867 29.877 -17.186 1.00 61.42 N ATOM 1825 CA VAL A 119 12.913 29.182 -18.467 1.00 24.40 C ATOM 1826 C VAL A 119 13.860 27.988 -18.411 1.00 5.32 C ATOM 1827 O VAL A 119 13.556 26.916 -18.934 1.00 44.22 O ATOM 1828 CB VAL A 119 13.359 30.124 -19.601 1.00 71.21 C ATOM 1829 CG1 VAL A 119 13.542 29.350 -20.898 1.00 34.23 C ATOM 1830 CG2 VAL A 119 12.355 31.252 -19.781 1.00 52.21 C ATOM 0 H VAL A 119 13.052 30.878 -17.243 1.00 61.42 H new ATOM 0 HA VAL A 119 11.902 28.831 -18.673 1.00 24.40 H new ATOM 0 HB VAL A 119 14.319 30.562 -19.329 1.00 71.21 H new ATOM 0 HG11 VAL A 119 13.857 30.032 -21.687 1.00 34.23 H new ATOM 0 HG12 VAL A 119 14.302 28.581 -20.759 1.00 34.23 H new ATOM 0 HG13 VAL A 119 12.599 28.882 -21.178 1.00 34.23 H new ATOM 0 HG21 VAL A 119 12.686 31.908 -20.586 1.00 52.21 H new ATOM 0 HG22 VAL A 119 11.380 30.834 -20.030 1.00 52.21 H new ATOM 0 HG23 VAL A 119 12.279 31.823 -18.856 1.00 52.21 H new ATOM 1840 N ASP A 120 15.009 28.182 -17.772 1.00 63.54 N ATOM 1841 CA ASP A 120 16.002 27.120 -17.646 1.00 14.41 C ATOM 1842 C ASP A 120 15.381 25.865 -17.041 1.00 53.02 C ATOM 1843 O ASP A 120 15.458 24.782 -17.620 1.00 20.20 O ATOM 1844 CB ASP A 120 17.175 27.590 -16.784 1.00 53.12 C ATOM 1845 CG ASP A 120 18.510 27.096 -17.305 1.00 31.20 C ATOM 1846 OD1 ASP A 120 19.068 27.744 -18.215 1.00 21.33 O ATOM 1847 OD2 ASP A 120 18.996 26.060 -16.803 1.00 43.45 O ATOM 0 H ASP A 120 15.276 29.064 -17.334 1.00 63.54 H new ATOM 0 HA ASP A 120 16.368 26.878 -18.644 1.00 14.41 H new ATOM 0 HB2 ASP A 120 17.183 28.679 -16.749 1.00 53.12 H new ATOM 0 HB3 ASP A 120 17.035 27.239 -15.762 1.00 53.12 H new ATOM 1852 N ALA A 121 14.766 26.019 -15.873 1.00 20.01 N ATOM 1853 CA ALA A 121 14.131 24.898 -15.190 1.00 42.43 C ATOM 1854 C ALA A 121 13.186 24.151 -16.124 1.00 73.14 C ATOM 1855 O ALA A 121 13.060 22.928 -16.050 1.00 1.33 O ATOM 1856 CB ALA A 121 13.383 25.386 -13.958 1.00 40.25 C ATOM 0 H ALA A 121 14.694 26.909 -15.380 1.00 20.01 H new ATOM 0 HA ALA A 121 14.912 24.205 -14.876 1.00 42.43 H new ATOM 0 HB1 ALA A 121 12.914 24.539 -13.458 1.00 40.25 H new ATOM 0 HB2 ALA A 121 14.082 25.869 -13.275 1.00 40.25 H new ATOM 0 HB3 ALA A 121 12.616 26.101 -14.257 1.00 40.25 H new ATOM 1862 N LYS A 122 12.521 24.893 -17.004 1.00 23.22 N ATOM 1863 CA LYS A 122 11.587 24.301 -17.954 1.00 33.02 C ATOM 1864 C LYS A 122 12.332 23.583 -19.074 1.00 72.33 C ATOM 1865 O LYS A 122 11.973 22.470 -19.457 1.00 30.01 O ATOM 1866 CB LYS A 122 10.675 25.380 -18.543 1.00 32.41 C ATOM 1867 CG LYS A 122 9.658 24.841 -19.535 1.00 0.35 C ATOM 1868 CD LYS A 122 10.208 24.840 -20.951 1.00 75.42 C ATOM 1869 CE LYS A 122 9.090 24.829 -21.983 1.00 33.34 C ATOM 1870 NZ LYS A 122 9.318 25.832 -23.059 1.00 0.43 N ATOM 0 H LYS A 122 12.612 25.906 -17.079 1.00 23.22 H new ATOM 0 HA LYS A 122 10.978 23.571 -17.420 1.00 33.02 H new ATOM 0 HB2 LYS A 122 10.148 25.881 -17.731 1.00 32.41 H new ATOM 0 HB3 LYS A 122 11.289 26.133 -19.037 1.00 32.41 H new ATOM 0 HG2 LYS A 122 9.375 23.827 -19.253 1.00 0.35 H new ATOM 0 HG3 LYS A 122 8.753 25.447 -19.495 1.00 0.35 H new ATOM 0 HD2 LYS A 122 10.834 25.720 -21.100 1.00 75.42 H new ATOM 0 HD3 LYS A 122 10.846 23.968 -21.094 1.00 75.42 H new ATOM 0 HE2 LYS A 122 9.013 23.835 -22.424 1.00 33.34 H new ATOM 0 HE3 LYS A 122 8.139 25.034 -21.491 1.00 33.34 H new ATOM 0 HZ1 LYS A 122 8.535 25.793 -23.742 1.00 0.43 H new ATOM 0 HZ2 LYS A 122 9.367 26.783 -22.642 1.00 0.43 H new ATOM 0 HZ3 LYS A 122 10.212 25.621 -23.546 1.00 0.43 H new ATOM 1884 N ASN A 123 13.371 24.226 -19.595 1.00 44.41 N ATOM 1885 CA ASN A 123 14.168 23.648 -20.671 1.00 74.14 C ATOM 1886 C ASN A 123 14.814 22.340 -20.227 1.00 23.52 C ATOM 1887 O ASN A 123 15.239 21.532 -21.054 1.00 22.41 O ATOM 1888 CB ASN A 123 15.246 24.635 -21.124 1.00 33.24 C ATOM 1889 CG ASN A 123 15.634 24.441 -22.577 1.00 10.23 C ATOM 1890 OD1 ASN A 123 14.812 24.045 -23.403 1.00 31.01 O ATOM 1891 ND2 ASN A 123 16.893 24.721 -22.895 1.00 34.41 N ATOM 0 H ASN A 123 13.681 25.148 -19.290 1.00 44.41 H new ATOM 0 HA ASN A 123 13.503 23.438 -21.509 1.00 74.14 H new ATOM 0 HB2 ASN A 123 14.886 25.654 -20.980 1.00 33.24 H new ATOM 0 HB3 ASN A 123 16.129 24.518 -20.496 1.00 33.24 H new ATOM 0 HD21 ASN A 123 17.213 24.610 -23.857 1.00 34.41 H new ATOM 0 HD22 ASN A 123 17.540 25.047 -22.177 1.00 34.41 H new ATOM 1898 N LEU A 124 14.885 22.137 -18.916 1.00 21.31 N ATOM 1899 CA LEU A 124 15.479 20.926 -18.360 1.00 63.20 C ATOM 1900 C LEU A 124 14.887 19.680 -19.011 1.00 50.12 C ATOM 1901 O LEU A 124 15.578 18.950 -19.722 1.00 65.42 O ATOM 1902 CB LEU A 124 15.263 20.876 -16.847 1.00 14.14 C ATOM 1903 CG LEU A 124 15.971 21.958 -16.031 1.00 44.12 C ATOM 1904 CD1 LEU A 124 15.771 21.722 -14.542 1.00 70.33 C ATOM 1905 CD2 LEU A 124 17.454 21.997 -16.372 1.00 51.50 C ATOM 0 H LEU A 124 14.539 22.795 -18.218 1.00 21.31 H new ATOM 0 HA LEU A 124 16.549 20.948 -18.567 1.00 63.20 H new ATOM 0 HB2 LEU A 124 14.193 20.943 -16.651 1.00 14.14 H new ATOM 0 HB3 LEU A 124 15.593 19.902 -16.485 1.00 14.14 H new ATOM 0 HG LEU A 124 15.533 22.923 -16.286 1.00 44.12 H new ATOM 0 HD11 LEU A 124 16.282 22.502 -13.978 1.00 70.33 H new ATOM 0 HD12 LEU A 124 14.706 21.745 -14.310 1.00 70.33 H new ATOM 0 HD13 LEU A 124 16.181 20.750 -14.269 1.00 70.33 H new ATOM 0 HD21 LEU A 124 17.943 22.773 -15.782 1.00 51.50 H new ATOM 0 HD22 LEU A 124 17.905 21.031 -16.146 1.00 51.50 H new ATOM 0 HD23 LEU A 124 17.578 22.216 -17.433 1.00 51.50 H new ATOM 1917 N LEU A 125 13.603 19.444 -18.766 1.00 11.52 N ATOM 1918 CA LEU A 125 12.916 18.288 -19.330 1.00 73.01 C ATOM 1919 C LEU A 125 12.697 18.463 -20.829 1.00 54.05 C ATOM 1920 O LEU A 125 12.672 17.488 -21.581 1.00 50.43 O ATOM 1921 CB LEU A 125 11.573 18.075 -18.628 1.00 43.14 C ATOM 1922 CG LEU A 125 11.254 16.639 -18.212 1.00 20.11 C ATOM 1923 CD1 LEU A 125 10.979 16.565 -16.718 1.00 72.10 C ATOM 1924 CD2 LEU A 125 10.068 16.106 -19.002 1.00 35.23 C ATOM 0 H LEU A 125 13.016 20.038 -18.180 1.00 11.52 H new ATOM 0 HA LEU A 125 13.544 17.411 -19.173 1.00 73.01 H new ATOM 0 HB2 LEU A 125 11.547 18.704 -17.738 1.00 43.14 H new ATOM 0 HB3 LEU A 125 10.780 18.425 -19.289 1.00 43.14 H new ATOM 0 HG LEU A 125 12.121 16.016 -18.432 1.00 20.11 H new ATOM 0 HD11 LEU A 125 10.754 15.535 -16.440 1.00 72.10 H new ATOM 0 HD12 LEU A 125 11.857 16.905 -16.169 1.00 72.10 H new ATOM 0 HD13 LEU A 125 10.129 17.201 -16.473 1.00 72.10 H new ATOM 0 HD21 LEU A 125 9.855 15.083 -18.693 1.00 35.23 H new ATOM 0 HD22 LEU A 125 9.195 16.731 -18.814 1.00 35.23 H new ATOM 0 HD23 LEU A 125 10.303 16.122 -20.066 1.00 35.23 H new ATOM 1936 N ASP A 126 12.540 19.711 -21.257 1.00 70.24 N ATOM 1937 CA ASP A 126 12.326 20.014 -22.668 1.00 3.33 C ATOM 1938 C ASP A 126 13.483 19.496 -23.516 1.00 61.24 C ATOM 1939 O ASP A 126 13.274 18.909 -24.578 1.00 35.30 O ATOM 1940 CB ASP A 126 12.166 21.522 -22.868 1.00 41.13 C ATOM 1941 CG ASP A 126 11.393 21.860 -24.128 1.00 65.42 C ATOM 1942 OD1 ASP A 126 10.774 20.943 -24.707 1.00 53.20 O ATOM 1943 OD2 ASP A 126 11.409 23.040 -24.536 1.00 44.11 O ATOM 0 H ASP A 126 12.557 20.529 -20.648 1.00 70.24 H new ATOM 0 HA ASP A 126 11.412 19.513 -22.988 1.00 3.33 H new ATOM 0 HB2 ASP A 126 11.653 21.948 -22.005 1.00 41.13 H new ATOM 0 HB3 ASP A 126 13.151 21.986 -22.914 1.00 41.13 H new ATOM 1948 N VAL A 127 14.705 19.718 -23.042 1.00 33.23 N ATOM 1949 CA VAL A 127 15.895 19.273 -23.757 1.00 1.34 C ATOM 1950 C VAL A 127 15.982 17.752 -23.786 1.00 61.51 C ATOM 1951 O VAL A 127 15.996 17.141 -24.856 1.00 2.34 O ATOM 1952 CB VAL A 127 17.178 19.837 -23.117 1.00 15.53 C ATOM 1953 CG1 VAL A 127 18.411 19.264 -23.798 1.00 0.53 C ATOM 1954 CG2 VAL A 127 17.180 21.357 -23.181 1.00 44.31 C ATOM 0 H VAL A 127 14.897 20.204 -22.166 1.00 33.23 H new ATOM 0 HA VAL A 127 15.810 19.649 -24.777 1.00 1.34 H new ATOM 0 HB VAL A 127 17.202 19.540 -22.068 1.00 15.53 H new ATOM 0 HG11 VAL A 127 19.307 19.674 -23.332 1.00 0.53 H new ATOM 0 HG12 VAL A 127 18.412 18.179 -23.695 1.00 0.53 H new ATOM 0 HG13 VAL A 127 18.398 19.528 -24.855 1.00 0.53 H new ATOM 0 HG21 VAL A 127 18.093 21.739 -22.725 1.00 44.31 H new ATOM 0 HG22 VAL A 127 17.133 21.677 -24.222 1.00 44.31 H new ATOM 0 HG23 VAL A 127 16.315 21.745 -22.642 1.00 44.31 H new ATOM 1964 N ILE A 128 16.040 17.145 -22.605 1.00 71.35 N ATOM 1965 CA ILE A 128 16.124 15.694 -22.496 1.00 72.43 C ATOM 1966 C ILE A 128 14.967 15.020 -23.227 1.00 22.45 C ATOM 1967 O ILE A 128 15.060 13.856 -23.617 1.00 62.22 O ATOM 1968 CB ILE A 128 16.122 15.239 -21.025 1.00 31.22 C ATOM 1969 CG1 ILE A 128 14.722 15.386 -20.425 1.00 21.53 C ATOM 1970 CG2 ILE A 128 17.135 16.040 -20.221 1.00 43.24 C ATOM 1971 CD1 ILE A 128 14.666 15.091 -18.942 1.00 64.01 C ATOM 0 H ILE A 128 16.030 17.636 -21.711 1.00 71.35 H new ATOM 0 HA ILE A 128 17.065 15.397 -22.958 1.00 72.43 H new ATOM 0 HB ILE A 128 16.406 14.187 -20.985 1.00 31.22 H new ATOM 0 HG12 ILE A 128 14.366 16.401 -20.599 1.00 21.53 H new ATOM 0 HG13 ILE A 128 14.040 14.715 -20.947 1.00 21.53 H new ATOM 0 HG21 ILE A 128 17.121 15.707 -19.183 1.00 43.24 H new ATOM 0 HG22 ILE A 128 18.131 15.890 -20.638 1.00 43.24 H new ATOM 0 HG23 ILE A 128 16.879 17.099 -20.265 1.00 43.24 H new ATOM 0 HD11 ILE A 128 13.644 15.215 -18.585 1.00 64.01 H new ATOM 0 HD12 ILE A 128 14.991 14.066 -18.762 1.00 64.01 H new ATOM 0 HD13 ILE A 128 15.323 15.779 -18.409 1.00 64.01 H new ATOM 1983 N ASP A 129 13.879 15.759 -23.409 1.00 32.02 N ATOM 1984 CA ASP A 129 12.704 15.234 -24.095 1.00 40.22 C ATOM 1985 C ASP A 129 13.088 14.620 -25.437 1.00 63.45 C ATOM 1986 O ASP A 129 12.460 13.666 -25.896 1.00 25.42 O ATOM 1987 CB ASP A 129 11.672 16.343 -24.305 1.00 34.02 C ATOM 1988 CG ASP A 129 10.284 15.935 -23.850 1.00 51.43 C ATOM 1989 OD1 ASP A 129 9.634 15.146 -24.566 1.00 74.23 O ATOM 1990 OD2 ASP A 129 9.848 16.407 -22.779 1.00 33.21 O ATOM 0 H ASP A 129 13.786 16.724 -23.091 1.00 32.02 H new ATOM 0 HA ASP A 129 12.267 14.455 -23.471 1.00 40.22 H new ATOM 0 HB2 ASP A 129 11.983 17.233 -23.759 1.00 34.02 H new ATOM 0 HB3 ASP A 129 11.641 16.611 -25.361 1.00 34.02 H new ATOM 1995 N GLN A 130 14.122 15.174 -26.062 1.00 24.10 N ATOM 1996 CA GLN A 130 14.588 14.681 -27.353 1.00 25.24 C ATOM 1997 C GLN A 130 14.967 13.206 -27.267 1.00 45.03 C ATOM 1998 O GLN A 130 14.792 12.454 -28.225 1.00 74.41 O ATOM 1999 CB GLN A 130 15.787 15.501 -27.833 1.00 22.31 C ATOM 2000 CG GLN A 130 15.424 16.571 -28.849 1.00 42.14 C ATOM 2001 CD GLN A 130 16.495 17.635 -28.984 1.00 2.51 C ATOM 2002 OE1 GLN A 130 16.508 18.617 -28.240 1.00 64.22 O ATOM 2003 NE2 GLN A 130 17.402 17.447 -29.936 1.00 35.20 N ATOM 0 H GLN A 130 14.653 15.964 -25.696 1.00 24.10 H new ATOM 0 HA GLN A 130 13.774 14.787 -28.070 1.00 25.24 H new ATOM 0 HB2 GLN A 130 16.261 15.974 -26.973 1.00 22.31 H new ATOM 0 HB3 GLN A 130 16.524 14.829 -28.273 1.00 22.31 H new ATOM 0 HG2 GLN A 130 15.257 16.103 -29.819 1.00 42.14 H new ATOM 0 HG3 GLN A 130 14.485 17.041 -28.556 1.00 42.14 H new ATOM 0 HE21 GLN A 130 17.354 16.619 -30.530 1.00 35.20 H new ATOM 0 HE22 GLN A 130 18.147 18.130 -30.073 1.00 35.20 H new ATOM 2012 N ALA A 131 15.489 12.800 -26.114 1.00 73.13 N ATOM 2013 CA ALA A 131 15.891 11.415 -25.904 1.00 20.24 C ATOM 2014 C ALA A 131 14.681 10.525 -25.641 1.00 15.54 C ATOM 2015 O ALA A 131 14.597 9.408 -26.151 1.00 12.21 O ATOM 2016 CB ALA A 131 16.878 11.322 -24.749 1.00 74.40 C ATOM 0 H ALA A 131 15.643 13.411 -25.312 1.00 73.13 H new ATOM 0 HA ALA A 131 16.377 11.062 -26.813 1.00 20.24 H new ATOM 0 HB1 ALA A 131 17.170 10.282 -24.603 1.00 74.40 H new ATOM 0 HB2 ALA A 131 17.761 11.919 -24.976 1.00 74.40 H new ATOM 0 HB3 ALA A 131 16.410 11.699 -23.839 1.00 74.40 H new ATOM 2022 N ARG A 132 13.745 11.028 -24.841 1.00 44.01 N ATOM 2023 CA ARG A 132 12.540 10.278 -24.509 1.00 63.31 C ATOM 2024 C ARG A 132 11.850 9.772 -25.772 1.00 75.21 C ATOM 2025 O ARG A 132 11.583 8.577 -25.911 1.00 41.30 O ATOM 2026 CB ARG A 132 11.577 11.150 -23.703 1.00 13.25 C ATOM 2027 CG ARG A 132 11.128 10.515 -22.397 1.00 13.04 C ATOM 2028 CD ARG A 132 9.835 11.136 -21.891 1.00 31.32 C ATOM 2029 NE ARG A 132 8.671 10.315 -22.213 1.00 71.33 N ATOM 2030 CZ ARG A 132 8.325 9.229 -21.530 1.00 43.04 C ATOM 2031 NH1 ARG A 132 9.051 8.836 -20.492 1.00 74.04 N ATOM 2032 NH2 ARG A 132 7.252 8.534 -21.885 1.00 50.31 N ATOM 0 H ARG A 132 13.799 11.952 -24.411 1.00 44.01 H new ATOM 0 HA ARG A 132 12.832 9.418 -23.906 1.00 63.31 H new ATOM 0 HB2 ARG A 132 12.058 12.104 -23.487 1.00 13.25 H new ATOM 0 HB3 ARG A 132 10.700 11.367 -24.312 1.00 13.25 H new ATOM 0 HG2 ARG A 132 10.986 9.444 -22.542 1.00 13.04 H new ATOM 0 HG3 ARG A 132 11.909 10.635 -21.646 1.00 13.04 H new ATOM 0 HD2 ARG A 132 9.896 11.271 -20.811 1.00 31.32 H new ATOM 0 HD3 ARG A 132 9.713 12.126 -22.329 1.00 31.32 H new ATOM 0 HE ARG A 132 8.092 10.590 -23.006 1.00 71.33 H new ATOM 0 HH11 ARG A 132 9.877 9.368 -20.217 1.00 74.04 H new ATOM 0 HH12 ARG A 132 8.784 8.002 -19.969 1.00 74.04 H new ATOM 0 HH21 ARG A 132 6.692 8.833 -22.683 1.00 50.31 H new ATOM 0 HH22 ARG A 132 6.988 7.701 -21.360 1.00 50.31 H new ATOM 2046 N LEU A 133 11.562 10.688 -26.690 1.00 14.01 N ATOM 2047 CA LEU A 133 10.901 10.336 -27.942 1.00 62.50 C ATOM 2048 C LEU A 133 11.816 9.488 -28.820 1.00 40.14 C ATOM 2049 O LEU A 133 11.357 8.601 -29.540 1.00 32.32 O ATOM 2050 CB LEU A 133 10.481 11.600 -28.694 1.00 24.03 C ATOM 2051 CG LEU A 133 9.328 12.394 -28.080 1.00 1.25 C ATOM 2052 CD1 LEU A 133 9.786 13.793 -27.699 1.00 44.41 C ATOM 2053 CD2 LEU A 133 8.153 12.460 -29.044 1.00 33.31 C ATOM 0 H LEU A 133 11.776 11.680 -26.591 1.00 14.01 H new ATOM 0 HA LEU A 133 10.012 9.752 -27.703 1.00 62.50 H new ATOM 0 HB2 LEU A 133 11.347 12.257 -28.772 1.00 24.03 H new ATOM 0 HB3 LEU A 133 10.202 11.319 -29.709 1.00 24.03 H new ATOM 0 HG LEU A 133 9.002 11.882 -27.175 1.00 1.25 H new ATOM 0 HD11 LEU A 133 8.952 14.343 -27.264 1.00 44.41 H new ATOM 0 HD12 LEU A 133 10.595 13.726 -26.972 1.00 44.41 H new ATOM 0 HD13 LEU A 133 10.140 14.315 -28.588 1.00 44.41 H new ATOM 0 HD21 LEU A 133 7.342 13.029 -28.590 1.00 33.31 H new ATOM 0 HD22 LEU A 133 8.466 12.948 -29.967 1.00 33.31 H new ATOM 0 HD23 LEU A 133 7.808 11.450 -29.267 1.00 33.31 H new ATOM 2065 N LYS A 134 13.114 9.766 -28.756 1.00 13.25 N ATOM 2066 CA LYS A 134 14.095 9.028 -29.542 1.00 1.04 C ATOM 2067 C LYS A 134 13.933 7.525 -29.341 1.00 62.42 C ATOM 2068 O LYS A 134 14.167 6.738 -30.259 1.00 13.25 O ATOM 2069 CB LYS A 134 15.513 9.455 -29.156 1.00 62.11 C ATOM 2070 CG LYS A 134 16.330 9.977 -30.325 1.00 43.11 C ATOM 2071 CD LYS A 134 16.770 11.414 -30.100 1.00 51.15 C ATOM 2072 CE LYS A 134 18.025 11.744 -30.894 1.00 71.51 C ATOM 2073 NZ LYS A 134 17.702 12.339 -32.220 1.00 62.13 N ATOM 0 H LYS A 134 13.511 10.498 -28.167 1.00 13.25 H new ATOM 0 HA LYS A 134 13.927 9.256 -30.595 1.00 1.04 H new ATOM 0 HB2 LYS A 134 15.455 10.228 -28.390 1.00 62.11 H new ATOM 0 HB3 LYS A 134 16.031 8.605 -28.712 1.00 62.11 H new ATOM 0 HG2 LYS A 134 17.207 9.345 -30.468 1.00 43.11 H new ATOM 0 HG3 LYS A 134 15.740 9.915 -31.239 1.00 43.11 H new ATOM 0 HD2 LYS A 134 15.966 12.091 -30.390 1.00 51.15 H new ATOM 0 HD3 LYS A 134 16.957 11.576 -29.038 1.00 51.15 H new ATOM 0 HE2 LYS A 134 18.643 12.439 -30.325 1.00 71.51 H new ATOM 0 HE3 LYS A 134 18.613 10.838 -31.036 1.00 71.51 H new ATOM 0 HZ1 LYS A 134 18.584 12.550 -32.730 1.00 62.13 H new ATOM 0 HZ2 LYS A 134 17.134 11.666 -32.773 1.00 62.13 H new ATOM 0 HZ3 LYS A 134 17.162 13.218 -32.084 1.00 62.13 H new ATOM 2087 N MET A 135 13.531 7.133 -28.137 1.00 31.33 N ATOM 2088 CA MET A 135 13.335 5.723 -27.818 1.00 3.22 C ATOM 2089 C MET A 135 11.944 5.259 -28.237 1.00 61.13 C ATOM 2090 O MET A 135 11.788 4.185 -28.819 1.00 54.14 O ATOM 2091 CB MET A 135 13.535 5.485 -26.320 1.00 22.40 C ATOM 2092 CG MET A 135 13.971 4.068 -25.983 1.00 71.21 C ATOM 2093 SD MET A 135 15.466 4.022 -24.976 1.00 33.21 S ATOM 2094 CE MET A 135 14.798 3.487 -23.403 1.00 35.54 C ATOM 0 H MET A 135 13.334 7.771 -27.366 1.00 31.33 H new ATOM 0 HA MET A 135 14.074 5.144 -28.373 1.00 3.22 H new ATOM 0 HB2 MET A 135 14.282 6.185 -25.946 1.00 22.40 H new ATOM 0 HB3 MET A 135 12.603 5.704 -25.798 1.00 22.40 H new ATOM 0 HG2 MET A 135 13.165 3.560 -25.453 1.00 71.21 H new ATOM 0 HG3 MET A 135 14.143 3.515 -26.907 1.00 71.21 H new ATOM 0 HE1 MET A 135 15.604 3.411 -22.673 1.00 35.54 H new ATOM 0 HE2 MET A 135 14.061 4.211 -23.056 1.00 35.54 H new ATOM 0 HE3 MET A 135 14.323 2.513 -23.522 1.00 35.54 H new ATOM 2104 N ILE A 136 10.938 6.074 -27.938 1.00 21.41 N ATOM 2105 CA ILE A 136 9.561 5.746 -28.285 1.00 71.40 C ATOM 2106 C ILE A 136 9.435 5.398 -29.764 1.00 71.34 C ATOM 2107 O ILE A 136 8.984 4.309 -30.120 1.00 53.24 O ATOM 2108 CB ILE A 136 8.606 6.909 -27.960 1.00 11.33 C ATOM 2109 CG1 ILE A 136 8.685 7.262 -26.473 1.00 11.11 C ATOM 2110 CG2 ILE A 136 7.180 6.549 -28.349 1.00 61.02 C ATOM 2111 CD1 ILE A 136 8.120 8.626 -26.145 1.00 13.32 C ATOM 0 H ILE A 136 11.051 6.966 -27.456 1.00 21.41 H new ATOM 0 HA ILE A 136 9.282 4.880 -27.685 1.00 71.40 H new ATOM 0 HB ILE A 136 8.910 7.781 -28.538 1.00 11.33 H new ATOM 0 HG12 ILE A 136 8.147 6.507 -25.900 1.00 11.11 H new ATOM 0 HG13 ILE A 136 9.726 7.223 -26.153 1.00 11.11 H new ATOM 0 HG21 ILE A 136 6.517 7.382 -28.113 1.00 61.02 H new ATOM 0 HG22 ILE A 136 7.136 6.342 -29.418 1.00 61.02 H new ATOM 0 HG23 ILE A 136 6.864 5.665 -27.795 1.00 61.02 H new ATOM 0 HD11 ILE A 136 8.209 8.809 -25.074 1.00 13.32 H new ATOM 0 HD12 ILE A 136 8.674 9.390 -26.691 1.00 13.32 H new ATOM 0 HD13 ILE A 136 7.069 8.664 -26.433 1.00 13.32 H new ATOM 2123 N SER A 137 9.838 6.329 -30.622 1.00 44.43 N ATOM 2124 CA SER A 137 9.769 6.122 -32.064 1.00 51.50 C ATOM 2125 C SER A 137 10.877 5.184 -32.532 1.00 71.11 C ATOM 2126 O SER A 137 11.843 5.613 -33.162 1.00 53.34 O ATOM 2127 CB SER A 137 9.874 7.461 -32.798 1.00 64.53 C ATOM 2128 OG SER A 137 9.480 7.331 -34.153 1.00 55.31 O ATOM 0 H SER A 137 10.216 7.235 -30.344 1.00 44.43 H new ATOM 0 HA SER A 137 8.808 5.663 -32.295 1.00 51.50 H new ATOM 0 HB2 SER A 137 9.246 8.201 -32.303 1.00 64.53 H new ATOM 0 HB3 SER A 137 10.899 7.828 -32.747 1.00 64.53 H new ATOM 0 HG SER A 137 9.554 8.200 -34.600 1.00 55.31 H new ATOM 2228 N ALA A 170 24.138 21.948 -0.702 1.00 65.13 N ATOM 2229 CA ALA A 170 23.070 22.527 -1.507 1.00 13.14 C ATOM 2230 C ALA A 170 21.866 22.888 -0.642 1.00 44.33 C ATOM 2231 O ALA A 170 21.417 24.035 -0.632 1.00 43.01 O ATOM 2232 CB ALA A 170 22.659 21.564 -2.611 1.00 11.23 C ATOM 0 HA ALA A 170 23.447 23.443 -1.962 1.00 13.14 H new ATOM 0 HB1 ALA A 170 21.861 22.010 -3.204 1.00 11.23 H new ATOM 0 HB2 ALA A 170 23.516 21.359 -3.252 1.00 11.23 H new ATOM 0 HB3 ALA A 170 22.306 20.633 -2.168 1.00 11.23 H new ATOM 2238 N THR A 171 21.347 21.902 0.082 1.00 13.34 N ATOM 2239 CA THR A 171 20.194 22.116 0.948 1.00 21.24 C ATOM 2240 C THR A 171 20.495 23.162 2.016 1.00 32.51 C ATOM 2241 O THR A 171 19.614 23.920 2.421 1.00 35.33 O ATOM 2242 CB THR A 171 19.758 20.808 1.635 1.00 13.14 C ATOM 2243 OG1 THR A 171 18.613 21.047 2.462 1.00 40.21 O ATOM 2244 CG2 THR A 171 20.888 20.236 2.478 1.00 14.44 C ATOM 0 H THR A 171 21.707 20.947 0.086 1.00 13.34 H new ATOM 0 HA THR A 171 19.383 22.472 0.313 1.00 21.24 H new ATOM 0 HB THR A 171 19.502 20.085 0.861 1.00 13.14 H new ATOM 0 HG1 THR A 171 18.341 20.210 2.894 1.00 40.21 H new ATOM 0 HG21 THR A 171 20.556 19.313 2.953 1.00 14.44 H new ATOM 0 HG22 THR A 171 21.748 20.028 1.841 1.00 14.44 H new ATOM 0 HG23 THR A 171 21.171 20.957 3.245 1.00 14.44 H new ATOM 2252 N ARG A 172 21.744 23.197 2.467 1.00 3.35 N ATOM 2253 CA ARG A 172 22.161 24.150 3.489 1.00 54.50 C ATOM 2254 C ARG A 172 21.900 25.583 3.034 1.00 12.50 C ATOM 2255 O ARG A 172 21.191 26.336 3.700 1.00 14.54 O ATOM 2256 CB ARG A 172 23.645 23.969 3.812 1.00 72.31 C ATOM 2257 CG ARG A 172 24.049 24.540 5.161 1.00 30.22 C ATOM 2258 CD ARG A 172 24.966 23.590 5.916 1.00 41.20 C ATOM 2259 NE ARG A 172 24.906 23.803 7.360 1.00 50.15 N ATOM 2260 CZ ARG A 172 23.936 23.327 8.133 1.00 44.12 C ATOM 2261 NH1 ARG A 172 22.951 22.615 7.604 1.00 63.33 N ATOM 2262 NH2 ARG A 172 23.951 23.563 9.438 1.00 2.15 N ATOM 0 H ARG A 172 22.485 22.577 2.141 1.00 3.35 H new ATOM 0 HA ARG A 172 21.575 23.959 4.388 1.00 54.50 H new ATOM 0 HB2 ARG A 172 23.886 22.906 3.790 1.00 72.31 H new ATOM 0 HB3 ARG A 172 24.239 24.446 3.032 1.00 72.31 H new ATOM 0 HG2 ARG A 172 24.553 25.496 5.017 1.00 30.22 H new ATOM 0 HG3 ARG A 172 23.157 24.736 5.756 1.00 30.22 H new ATOM 0 HD2 ARG A 172 24.687 22.561 5.690 1.00 41.20 H new ATOM 0 HD3 ARG A 172 25.991 23.726 5.572 1.00 41.20 H new ATOM 0 HE ARG A 172 25.649 24.347 7.799 1.00 50.15 H new ATOM 0 HH11 ARG A 172 22.936 22.431 6.601 1.00 63.33 H new ATOM 0 HH12 ARG A 172 22.208 22.251 8.200 1.00 63.33 H new ATOM 0 HH21 ARG A 172 24.708 24.110 9.849 1.00 2.15 H new ATOM 0 HH22 ARG A 172 23.206 23.197 10.031 1.00 2.15 H new ATOM 2276 N GLU A 173 22.479 25.952 1.896 1.00 51.24 N ATOM 2277 CA GLU A 173 22.310 27.295 1.353 1.00 14.13 C ATOM 2278 C GLU A 173 20.831 27.661 1.259 1.00 43.51 C ATOM 2279 O GLU A 173 20.426 28.758 1.647 1.00 35.34 O ATOM 2280 CB GLU A 173 22.961 27.397 -0.028 1.00 12.34 C ATOM 2281 CG GLU A 173 24.464 27.610 0.023 1.00 65.53 C ATOM 2282 CD GLU A 173 24.880 28.967 -0.510 1.00 2.14 C ATOM 2283 OE1 GLU A 173 24.782 29.957 0.245 1.00 31.35 O ATOM 2284 OE2 GLU A 173 25.304 29.039 -1.682 1.00 44.32 O ATOM 0 H GLU A 173 23.069 25.340 1.332 1.00 51.24 H new ATOM 0 HA GLU A 173 22.798 27.997 2.029 1.00 14.13 H new ATOM 0 HB2 GLU A 173 22.750 26.486 -0.588 1.00 12.34 H new ATOM 0 HB3 GLU A 173 22.504 28.221 -0.576 1.00 12.34 H new ATOM 0 HG2 GLU A 173 24.807 27.508 1.053 1.00 65.53 H new ATOM 0 HG3 GLU A 173 24.958 26.830 -0.556 1.00 65.53 H new ATOM 2291 N LEU A 174 20.031 26.737 0.740 1.00 71.00 N ATOM 2292 CA LEU A 174 18.597 26.961 0.593 1.00 11.43 C ATOM 2293 C LEU A 174 17.935 27.160 1.953 1.00 0.21 C ATOM 2294 O LEU A 174 16.952 27.891 2.075 1.00 12.12 O ATOM 2295 CB LEU A 174 17.948 25.783 -0.135 1.00 42.10 C ATOM 2296 CG LEU A 174 17.702 25.972 -1.632 1.00 45.53 C ATOM 2297 CD1 LEU A 174 17.855 24.651 -2.370 1.00 0.14 C ATOM 2298 CD2 LEU A 174 16.322 26.565 -1.876 1.00 20.25 C ATOM 0 H LEU A 174 20.351 25.825 0.414 1.00 71.00 H new ATOM 0 HA LEU A 174 18.455 27.867 0.004 1.00 11.43 H new ATOM 0 HB2 LEU A 174 18.580 24.905 0.001 1.00 42.10 H new ATOM 0 HB3 LEU A 174 16.994 25.566 0.345 1.00 42.10 H new ATOM 0 HG LEU A 174 18.447 26.668 -2.017 1.00 45.53 H new ATOM 0 HD11 LEU A 174 17.676 24.806 -3.434 1.00 0.14 H new ATOM 0 HD12 LEU A 174 18.865 24.267 -2.224 1.00 0.14 H new ATOM 0 HD13 LEU A 174 17.134 23.932 -1.982 1.00 0.14 H new ATOM 0 HD21 LEU A 174 16.165 26.692 -2.947 1.00 20.25 H new ATOM 0 HD22 LEU A 174 15.562 25.895 -1.475 1.00 20.25 H new ATOM 0 HD23 LEU A 174 16.249 27.533 -1.381 1.00 20.25 H new ATOM 2310 N ASP A 175 18.482 26.507 2.972 1.00 33.04 N ATOM 2311 CA ASP A 175 17.947 26.614 4.325 1.00 54.33 C ATOM 2312 C ASP A 175 18.217 27.998 4.908 1.00 22.30 C ATOM 2313 O ASP A 175 17.339 28.607 5.518 1.00 21.41 O ATOM 2314 CB ASP A 175 18.558 25.539 5.225 1.00 55.22 C ATOM 2315 CG ASP A 175 17.707 25.255 6.447 1.00 54.11 C ATOM 2316 OD1 ASP A 175 17.500 26.184 7.255 1.00 13.54 O ATOM 2317 OD2 ASP A 175 17.247 24.104 6.594 1.00 33.35 O ATOM 0 H ASP A 175 19.296 25.898 2.887 1.00 33.04 H new ATOM 0 HA ASP A 175 16.868 26.464 4.276 1.00 54.33 H new ATOM 0 HB2 ASP A 175 18.686 24.620 4.653 1.00 55.22 H new ATOM 0 HB3 ASP A 175 19.551 25.857 5.543 1.00 55.22 H new ATOM 2322 N GLU A 176 19.439 28.487 4.717 1.00 74.54 N ATOM 2323 CA GLU A 176 19.825 29.797 5.226 1.00 55.21 C ATOM 2324 C GLU A 176 18.872 30.878 4.723 1.00 44.43 C ATOM 2325 O GLU A 176 18.232 31.574 5.512 1.00 3.50 O ATOM 2326 CB GLU A 176 21.258 30.130 4.807 1.00 22.23 C ATOM 2327 CG GLU A 176 22.216 30.275 5.978 1.00 12.30 C ATOM 2328 CD GLU A 176 23.614 30.670 5.543 1.00 54.33 C ATOM 2329 OE1 GLU A 176 23.808 31.843 5.161 1.00 13.35 O ATOM 2330 OE2 GLU A 176 24.514 29.805 5.584 1.00 53.33 O ATOM 0 H GLU A 176 20.178 27.995 4.214 1.00 74.54 H new ATOM 0 HA GLU A 176 19.771 29.766 6.314 1.00 55.21 H new ATOM 0 HB2 GLU A 176 21.625 29.347 4.143 1.00 22.23 H new ATOM 0 HB3 GLU A 176 21.254 31.058 4.235 1.00 22.23 H new ATOM 0 HG2 GLU A 176 21.829 31.024 6.668 1.00 12.30 H new ATOM 0 HG3 GLU A 176 22.262 29.333 6.524 1.00 12.30 H new ATOM 2337 N LEU A 177 18.785 31.014 3.404 1.00 35.22 N ATOM 2338 CA LEU A 177 17.911 32.010 2.794 1.00 43.31 C ATOM 2339 C LEU A 177 16.457 31.776 3.190 1.00 21.03 C ATOM 2340 O LEU A 177 15.712 32.723 3.440 1.00 35.54 O ATOM 2341 CB LEU A 177 18.049 31.974 1.271 1.00 71.52 C ATOM 2342 CG LEU A 177 19.451 32.229 0.717 1.00 1.32 C ATOM 2343 CD1 LEU A 177 19.573 31.688 -0.699 1.00 11.12 C ATOM 2344 CD2 LEU A 177 19.775 33.716 0.752 1.00 62.33 C ATOM 0 H LEU A 177 19.309 30.447 2.737 1.00 35.22 H new ATOM 0 HA LEU A 177 18.213 32.992 3.157 1.00 43.31 H new ATOM 0 HB2 LEU A 177 17.713 30.999 0.919 1.00 71.52 H new ATOM 0 HB3 LEU A 177 17.372 32.716 0.847 1.00 71.52 H new ATOM 0 HG LEU A 177 20.170 31.705 1.346 1.00 1.32 H new ATOM 0 HD11 LEU A 177 20.578 31.879 -1.076 1.00 11.12 H new ATOM 0 HD12 LEU A 177 19.385 30.614 -0.696 1.00 11.12 H new ATOM 0 HD13 LEU A 177 18.844 32.182 -1.341 1.00 11.12 H new ATOM 0 HD21 LEU A 177 20.777 33.880 0.354 1.00 62.33 H new ATOM 0 HD22 LEU A 177 19.051 34.261 0.146 1.00 62.33 H new ATOM 0 HD23 LEU A 177 19.730 34.074 1.781 1.00 62.33 H new ATOM 2356 N MET A 178 16.062 30.508 3.247 1.00 13.44 N ATOM 2357 CA MET A 178 14.697 30.150 3.617 1.00 23.11 C ATOM 2358 C MET A 178 14.340 30.713 4.989 1.00 22.52 C ATOM 2359 O MET A 178 13.213 31.151 5.216 1.00 21.03 O ATOM 2360 CB MET A 178 14.529 28.629 3.617 1.00 40.30 C ATOM 2361 CG MET A 178 13.142 28.171 4.037 1.00 12.43 C ATOM 2362 SD MET A 178 12.354 27.120 2.802 1.00 15.43 S ATOM 2363 CE MET A 178 11.266 28.297 2.002 1.00 74.54 C ATOM 0 H MET A 178 16.667 29.712 3.042 1.00 13.44 H new ATOM 0 HA MET A 178 14.021 30.583 2.880 1.00 23.11 H new ATOM 0 HB2 MET A 178 14.741 28.248 2.618 1.00 40.30 H new ATOM 0 HB3 MET A 178 15.267 28.190 4.289 1.00 40.30 H new ATOM 0 HG2 MET A 178 13.213 27.627 4.979 1.00 12.43 H new ATOM 0 HG3 MET A 178 12.515 29.044 4.219 1.00 12.43 H new ATOM 0 HE1 MET A 178 10.707 27.797 1.211 1.00 74.54 H new ATOM 0 HE2 MET A 178 10.570 28.706 2.735 1.00 74.54 H new ATOM 0 HE3 MET A 178 11.857 29.106 1.573 1.00 74.54 H new ATOM 2373 N ALA A 179 15.307 30.696 5.901 1.00 45.45 N ATOM 2374 CA ALA A 179 15.095 31.207 7.249 1.00 31.43 C ATOM 2375 C ALA A 179 14.853 32.712 7.235 1.00 53.11 C ATOM 2376 O ALA A 179 13.972 33.216 7.933 1.00 64.53 O ATOM 2377 CB ALA A 179 16.286 30.870 8.135 1.00 54.14 C ATOM 0 H ALA A 179 16.245 30.334 5.730 1.00 45.45 H new ATOM 0 HA ALA A 179 14.205 30.727 7.656 1.00 31.43 H new ATOM 0 HB1 ALA A 179 16.114 31.258 9.139 1.00 54.14 H new ATOM 0 HB2 ALA A 179 16.411 29.788 8.180 1.00 54.14 H new ATOM 0 HB3 ALA A 179 17.187 31.322 7.721 1.00 54.14 H new ATOM 2383 N SER A 180 15.640 33.426 6.436 1.00 32.12 N ATOM 2384 CA SER A 180 15.514 34.875 6.335 1.00 55.12 C ATOM 2385 C SER A 180 14.108 35.268 5.891 1.00 52.13 C ATOM 2386 O SER A 180 13.590 36.315 6.283 1.00 71.31 O ATOM 2387 CB SER A 180 16.545 35.430 5.351 1.00 3.52 C ATOM 2388 OG SER A 180 15.967 35.653 4.077 1.00 70.43 O ATOM 0 H SER A 180 16.371 33.024 5.849 1.00 32.12 H new ATOM 0 HA SER A 180 15.697 35.301 7.321 1.00 55.12 H new ATOM 0 HB2 SER A 180 16.954 36.364 5.737 1.00 3.52 H new ATOM 0 HB3 SER A 180 17.377 34.732 5.259 1.00 3.52 H new ATOM 0 HG SER A 180 15.872 34.798 3.607 1.00 70.43 H new ATOM 2394 N LEU A 181 13.495 34.422 5.070 1.00 64.10 N ATOM 2395 CA LEU A 181 12.149 34.679 4.571 1.00 11.11 C ATOM 2396 C LEU A 181 11.099 34.085 5.505 1.00 24.10 C ATOM 2397 O LEU A 181 9.964 34.558 5.561 1.00 64.03 O ATOM 2398 CB LEU A 181 11.985 34.098 3.166 1.00 52.24 C ATOM 2399 CG LEU A 181 13.074 34.464 2.157 1.00 51.33 C ATOM 2400 CD1 LEU A 181 13.540 33.229 1.402 1.00 30.34 C ATOM 2401 CD2 LEU A 181 12.569 35.524 1.188 1.00 22.11 C ATOM 0 H LEU A 181 13.909 33.552 4.736 1.00 64.10 H new ATOM 0 HA LEU A 181 12.003 35.758 4.530 1.00 11.11 H new ATOM 0 HB2 LEU A 181 11.942 33.012 3.246 1.00 52.24 H new ATOM 0 HB3 LEU A 181 11.024 34.426 2.769 1.00 52.24 H new ATOM 0 HG LEU A 181 13.924 34.874 2.702 1.00 51.33 H new ATOM 0 HD11 LEU A 181 14.315 33.510 0.689 1.00 30.34 H new ATOM 0 HD12 LEU A 181 13.942 32.502 2.107 1.00 30.34 H new ATOM 0 HD13 LEU A 181 12.697 32.789 0.868 1.00 30.34 H new ATOM 0 HD21 LEU A 181 13.357 35.772 0.477 1.00 22.11 H new ATOM 0 HD22 LEU A 181 11.702 35.141 0.649 1.00 22.11 H new ATOM 0 HD23 LEU A 181 12.286 36.419 1.743 1.00 22.11 H new ATOM 2413 N SER A 182 11.487 33.047 6.239 1.00 65.33 N ATOM 2414 CA SER A 182 10.580 32.387 7.170 1.00 73.44 C ATOM 2415 C SER A 182 10.074 33.367 8.223 1.00 5.43 C ATOM 2416 O SER A 182 8.869 33.498 8.438 1.00 4.24 O ATOM 2417 CB SER A 182 11.280 31.207 7.848 1.00 52.40 C ATOM 2418 OG SER A 182 10.418 30.086 7.937 1.00 24.33 O ATOM 0 H SER A 182 12.424 32.645 6.207 1.00 65.33 H new ATOM 0 HA SER A 182 9.725 32.016 6.604 1.00 73.44 H new ATOM 0 HB2 SER A 182 12.174 30.938 7.285 1.00 52.40 H new ATOM 0 HB3 SER A 182 11.607 31.499 8.846 1.00 52.40 H new ATOM 0 HG SER A 182 10.889 29.345 8.372 1.00 24.33 H new ATOM 2424 N ASP A 183 11.005 34.054 8.877 1.00 13.13 N ATOM 2425 CA ASP A 183 10.655 35.024 9.908 1.00 4.44 C ATOM 2426 C ASP A 183 11.589 36.230 9.858 1.00 15.24 C ATOM 2427 O ASP A 183 11.165 37.365 10.082 1.00 11.04 O ATOM 2428 CB ASP A 183 10.715 34.374 11.292 1.00 43.53 C ATOM 2429 CG ASP A 183 9.440 33.632 11.638 1.00 13.13 C ATOM 2430 OD1 ASP A 183 9.091 32.681 10.909 1.00 74.21 O ATOM 2431 OD2 ASP A 183 8.790 34.003 12.639 1.00 41.05 O ATOM 0 H ASP A 183 12.007 33.957 8.711 1.00 13.13 H new ATOM 0 HA ASP A 183 9.637 35.366 9.720 1.00 4.44 H new ATOM 0 HB2 ASP A 183 11.556 33.682 11.329 1.00 43.53 H new ATOM 0 HB3 ASP A 183 10.901 35.142 12.043 1.00 43.53 H new