USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1075 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 133 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 137 THR OG1 : rot -40:sc= 0.959 USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.0258 K(o=0.82,f=-7.4!) USER MOD Set 2.2: A 44 TYR OH : rot -87:sc= 0.912 USER MOD Set 2.3: A 57 SER OG : rot 169:sc= -0.0663 USER MOD Set 3.1: A 53 CYS SG : rot -167:sc= -4.53! USER MOD Set 3.2: A 86 TYR OH : rot 130:sc= -0.151 USER MOD Single : A 8 SER OG : rot 26:sc= 0.155 USER MOD Single : A 9 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-0.55) USER MOD Single : A 10 ASN : amide:sc= -3.05! C(o=-3!,f=-8.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00503 USER MOD Single : A 39 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.67) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 0.9 (180deg=0.485) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -18:sc= 0.566 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0864) USER MOD Single : A 63 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0851 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 77 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.7) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 1.02 K(o=1,f=-0.88) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= -0.0895 (180deg=-0.395) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 136:sc= 0.512 USER MOD Single : A 111 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.47) USER MOD Single : A 112 LYS NZ :NH3+ 156:sc= 0.83 (180deg=0.215) USER MOD Single : A 117 MET CE :methyl -141:sc= -0.669 (180deg=-1.27) USER MOD Single : A 130 HIS : no HD1:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 140 LYS NZ :NH3+ 169:sc= -0.025 (180deg=-0.193) USER MOD Single : A 141 MET CE :methyl 160:sc= -0.138 (180deg=-0.641) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 179:sc= 1.31 (180deg=1.29) USER MOD Single : A 147 ASN : amide:sc= 0.124 K(o=0.12,f=-2.6) USER MOD Single : A 149 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 7.181 -13.621 3.190 1.00 23.44 N ATOM 94 CA SER A 8 8.167 -12.557 3.110 1.00 13.42 C ATOM 95 C SER A 8 7.604 -11.151 3.383 1.00 23.22 C ATOM 96 O SER A 8 6.480 -10.964 3.891 1.00 50.21 O ATOM 97 CB SER A 8 8.822 -12.626 1.727 1.00 64.41 C ATOM 98 OG SER A 8 9.396 -13.913 1.514 1.00 52.21 O ATOM 0 HA SER A 8 8.897 -12.718 3.903 1.00 13.42 H new ATOM 0 HB2 SER A 8 8.080 -12.419 0.955 1.00 64.41 H new ATOM 0 HB3 SER A 8 9.592 -11.859 1.643 1.00 64.41 H new ATOM 0 HG SER A 8 8.928 -14.575 2.065 1.00 52.21 H new ATOM 104 N HIS A 9 8.412 -10.185 3.116 1.00 15.02 N ATOM 105 CA HIS A 9 8.029 -8.825 3.202 1.00 63.22 C ATOM 106 C HIS A 9 7.904 -8.263 1.820 1.00 73.22 C ATOM 107 O HIS A 9 8.665 -8.634 0.922 1.00 11.44 O ATOM 108 CB HIS A 9 9.033 -8.022 4.018 1.00 15.04 C ATOM 109 CG HIS A 9 9.029 -8.326 5.484 1.00 4.44 C ATOM 110 ND1 HIS A 9 9.784 -9.326 6.051 1.00 53.41 N ATOM 111 CD2 HIS A 9 8.371 -7.735 6.508 1.00 62.34 C ATOM 112 CE1 HIS A 9 9.593 -9.333 7.350 1.00 22.23 C ATOM 113 NE2 HIS A 9 8.743 -8.381 7.650 1.00 14.33 N ATOM 0 H HIS A 9 9.380 -10.325 2.825 1.00 15.02 H new ATOM 0 HA HIS A 9 7.067 -8.759 3.711 1.00 63.22 H new ATOM 0 HB2 HIS A 9 10.032 -8.207 3.624 1.00 15.04 H new ATOM 0 HB3 HIS A 9 8.828 -6.960 3.880 1.00 15.04 H new ATOM 0 HD2 HIS A 9 7.681 -6.907 6.435 1.00 62.34 H new ATOM 0 HE1 HIS A 9 10.058 -10.009 8.053 1.00 22.23 H new ATOM 0 HE2 HIS A 9 8.412 -8.159 8.589 1.00 14.33 H new ATOM 122 N ASN A 10 6.935 -7.426 1.638 1.00 71.34 N ATOM 123 CA ASN A 10 6.685 -6.752 0.369 1.00 23.42 C ATOM 124 C ASN A 10 6.677 -5.270 0.627 1.00 24.34 C ATOM 125 O ASN A 10 6.019 -4.803 1.573 1.00 75.21 O ATOM 126 CB ASN A 10 5.333 -7.152 -0.260 1.00 61.11 C ATOM 127 CG ASN A 10 5.265 -8.545 -0.891 1.00 51.20 C ATOM 128 OD1 ASN A 10 4.499 -8.751 -1.836 1.00 2.35 O ATOM 129 ND2 ASN A 10 6.048 -9.480 -0.414 1.00 42.31 N ATOM 0 H ASN A 10 6.272 -7.175 2.371 1.00 71.34 H new ATOM 0 HA ASN A 10 7.468 -7.043 -0.331 1.00 23.42 H new ATOM 0 HB2 ASN A 10 4.565 -7.087 0.510 1.00 61.11 H new ATOM 0 HB3 ASN A 10 5.080 -6.417 -1.024 1.00 61.11 H new ATOM 0 HD21 ASN A 10 6.037 -10.413 -0.825 1.00 42.31 H new ATOM 0 HD22 ASN A 10 6.669 -9.275 0.369 1.00 42.31 H new ATOM 136 N VAL A 11 7.401 -4.529 -0.163 1.00 21.10 N ATOM 137 CA VAL A 11 7.496 -3.094 0.038 1.00 74.14 C ATOM 138 C VAL A 11 7.094 -2.358 -1.233 1.00 31.33 C ATOM 139 O VAL A 11 7.706 -2.553 -2.265 1.00 4.03 O ATOM 140 CB VAL A 11 8.961 -2.680 0.374 1.00 12.24 C ATOM 141 CG1 VAL A 11 9.054 -1.203 0.742 1.00 42.14 C ATOM 142 CG2 VAL A 11 9.565 -3.558 1.463 1.00 55.22 C ATOM 0 H VAL A 11 7.937 -4.886 -0.954 1.00 21.10 H new ATOM 0 HA VAL A 11 6.832 -2.834 0.862 1.00 74.14 H new ATOM 0 HB VAL A 11 9.550 -2.835 -0.530 1.00 12.24 H new ATOM 0 HG11 VAL A 11 10.089 -0.949 0.970 1.00 42.14 H new ATOM 0 HG12 VAL A 11 8.708 -0.597 -0.095 1.00 42.14 H new ATOM 0 HG13 VAL A 11 8.431 -1.006 1.615 1.00 42.14 H new ATOM 0 HG21 VAL A 11 10.586 -3.235 1.666 1.00 55.22 H new ATOM 0 HG22 VAL A 11 8.970 -3.472 2.372 1.00 55.22 H new ATOM 0 HG23 VAL A 11 9.572 -4.596 1.131 1.00 55.22 H new ATOM 152 N PHE A 12 6.076 -1.530 -1.160 1.00 72.21 N ATOM 153 CA PHE A 12 5.706 -0.709 -2.305 1.00 72.42 C ATOM 154 C PHE A 12 6.584 0.519 -2.316 1.00 41.13 C ATOM 155 O PHE A 12 6.562 1.328 -1.376 1.00 53.35 O ATOM 156 CB PHE A 12 4.198 -0.331 -2.305 1.00 55.15 C ATOM 157 CG PHE A 12 3.770 0.582 -3.435 1.00 23.21 C ATOM 158 CD1 PHE A 12 3.921 1.960 -3.326 1.00 54.41 C ATOM 159 CD2 PHE A 12 3.222 0.068 -4.603 1.00 62.44 C ATOM 160 CE1 PHE A 12 3.545 2.794 -4.351 1.00 43.41 C ATOM 161 CE2 PHE A 12 2.841 0.903 -5.625 1.00 21.42 C ATOM 162 CZ PHE A 12 3.005 2.264 -5.502 1.00 2.20 C ATOM 0 H PHE A 12 5.492 -1.403 -0.333 1.00 72.21 H new ATOM 0 HA PHE A 12 5.863 -1.286 -3.216 1.00 72.42 H new ATOM 0 HB2 PHE A 12 3.609 -1.247 -2.354 1.00 55.15 H new ATOM 0 HB3 PHE A 12 3.959 0.151 -1.357 1.00 55.15 H new ATOM 0 HD1 PHE A 12 4.339 2.380 -2.423 1.00 54.41 H new ATOM 0 HD2 PHE A 12 3.094 -0.999 -4.709 1.00 62.44 H new ATOM 0 HE1 PHE A 12 3.672 3.862 -4.255 1.00 43.41 H new ATOM 0 HE2 PHE A 12 2.412 0.491 -6.526 1.00 21.42 H new ATOM 0 HZ PHE A 12 2.710 2.918 -6.309 1.00 2.20 H new ATOM 172 N VAL A 13 7.349 0.650 -3.347 1.00 21.34 N ATOM 173 CA VAL A 13 8.285 1.716 -3.478 1.00 44.33 C ATOM 174 C VAL A 13 8.232 2.279 -4.905 1.00 11.24 C ATOM 175 O VAL A 13 7.879 1.569 -5.856 1.00 54.21 O ATOM 176 CB VAL A 13 9.722 1.189 -3.141 1.00 45.54 C ATOM 177 CG1 VAL A 13 10.100 0.024 -4.035 1.00 20.44 C ATOM 178 CG2 VAL A 13 10.771 2.286 -3.215 1.00 10.11 C ATOM 0 H VAL A 13 7.341 0.006 -4.138 1.00 21.34 H new ATOM 0 HA VAL A 13 8.033 2.517 -2.783 1.00 44.33 H new ATOM 0 HB VAL A 13 9.695 0.839 -2.109 1.00 45.54 H new ATOM 0 HG11 VAL A 13 11.102 -0.321 -3.779 1.00 20.44 H new ATOM 0 HG12 VAL A 13 9.389 -0.789 -3.893 1.00 20.44 H new ATOM 0 HG13 VAL A 13 10.082 0.344 -5.077 1.00 20.44 H new ATOM 0 HG21 VAL A 13 11.749 1.871 -2.973 1.00 10.11 H new ATOM 0 HG22 VAL A 13 10.792 2.702 -4.222 1.00 10.11 H new ATOM 0 HG23 VAL A 13 10.525 3.073 -2.502 1.00 10.11 H new ATOM 188 N TYR A 14 8.529 3.550 -5.045 1.00 12.01 N ATOM 189 CA TYR A 14 8.616 4.162 -6.356 1.00 62.24 C ATOM 190 C TYR A 14 9.966 4.882 -6.498 1.00 33.10 C ATOM 191 O TYR A 14 10.362 5.286 -7.593 1.00 22.40 O ATOM 192 CB TYR A 14 7.432 5.136 -6.591 1.00 33.33 C ATOM 193 CG TYR A 14 7.406 5.766 -7.980 1.00 62.53 C ATOM 194 CD1 TYR A 14 6.849 5.093 -9.056 1.00 43.10 C ATOM 195 CD2 TYR A 14 7.948 7.023 -8.210 1.00 50.43 C ATOM 196 CE1 TYR A 14 6.835 5.653 -10.319 1.00 41.22 C ATOM 197 CE2 TYR A 14 7.938 7.589 -9.468 1.00 65.21 C ATOM 198 CZ TYR A 14 7.381 6.902 -10.518 1.00 13.03 C ATOM 199 OH TYR A 14 7.373 7.467 -11.776 1.00 33.33 O ATOM 0 H TYR A 14 8.715 4.183 -4.268 1.00 12.01 H new ATOM 0 HA TYR A 14 8.552 3.385 -7.117 1.00 62.24 H new ATOM 0 HB2 TYR A 14 6.497 4.599 -6.431 1.00 33.33 H new ATOM 0 HB3 TYR A 14 7.476 5.930 -5.845 1.00 33.33 H new ATOM 0 HD1 TYR A 14 6.419 4.114 -8.905 1.00 43.10 H new ATOM 0 HD2 TYR A 14 8.386 7.569 -7.388 1.00 50.43 H new ATOM 0 HE1 TYR A 14 6.398 5.114 -11.147 1.00 41.22 H new ATOM 0 HE2 TYR A 14 8.366 8.568 -9.626 1.00 65.21 H new ATOM 0 HH TYR A 14 7.796 8.350 -11.741 1.00 33.33 H new ATOM 209 N GLY A 15 10.675 4.995 -5.390 1.00 51.14 N ATOM 210 CA GLY A 15 11.911 5.734 -5.371 1.00 23.22 C ATOM 211 C GLY A 15 13.137 4.971 -5.870 1.00 54.54 C ATOM 212 O GLY A 15 13.123 4.351 -6.946 1.00 74.21 O ATOM 0 H GLY A 15 10.411 4.583 -4.495 1.00 51.14 H new ATOM 0 HA2 GLY A 15 11.789 6.630 -5.980 1.00 23.22 H new ATOM 0 HA3 GLY A 15 12.101 6.066 -4.350 1.00 23.22 H new ATOM 216 N SER A 16 14.163 4.994 -5.053 1.00 42.15 N ATOM 217 CA SER A 16 15.492 4.523 -5.390 1.00 54.13 C ATOM 218 C SER A 16 15.579 3.018 -5.717 1.00 1.52 C ATOM 219 O SER A 16 16.230 2.629 -6.677 1.00 44.23 O ATOM 220 CB SER A 16 16.413 4.841 -4.221 1.00 60.44 C ATOM 221 OG SER A 16 16.349 6.223 -3.872 1.00 53.23 O ATOM 0 H SER A 16 14.096 5.353 -4.101 1.00 42.15 H new ATOM 0 HA SER A 16 15.788 5.036 -6.305 1.00 54.13 H new ATOM 0 HB2 SER A 16 16.135 4.233 -3.360 1.00 60.44 H new ATOM 0 HB3 SER A 16 17.438 4.576 -4.480 1.00 60.44 H new ATOM 0 HG SER A 16 16.949 6.398 -3.117 1.00 53.23 H new ATOM 227 N ILE A 17 14.898 2.195 -4.935 1.00 43.43 N ATOM 228 CA ILE A 17 15.037 0.720 -5.005 1.00 0.31 C ATOM 229 C ILE A 17 14.654 0.128 -6.391 1.00 12.40 C ATOM 230 O ILE A 17 15.096 -0.970 -6.752 1.00 12.14 O ATOM 231 CB ILE A 17 14.225 0.046 -3.872 1.00 24.22 C ATOM 232 CG1 ILE A 17 14.649 0.640 -2.533 1.00 42.22 C ATOM 233 CG2 ILE A 17 14.540 -1.452 -3.850 1.00 72.41 C ATOM 234 CD1 ILE A 17 13.655 0.476 -1.413 1.00 62.22 C ATOM 0 H ILE A 17 14.232 2.513 -4.231 1.00 43.43 H new ATOM 0 HA ILE A 17 16.096 0.501 -4.867 1.00 0.31 H new ATOM 0 HB ILE A 17 13.161 0.208 -4.042 1.00 24.22 H new ATOM 0 HG12 ILE A 17 15.590 0.180 -2.232 1.00 42.22 H new ATOM 0 HG13 ILE A 17 14.844 1.704 -2.671 1.00 42.22 H new ATOM 0 HG21 ILE A 17 13.971 -1.932 -3.054 1.00 72.41 H new ATOM 0 HG22 ILE A 17 14.268 -1.895 -4.808 1.00 72.41 H new ATOM 0 HG23 ILE A 17 15.606 -1.597 -3.672 1.00 72.41 H new ATOM 0 HD11 ILE A 17 14.051 0.932 -0.505 1.00 62.22 H new ATOM 0 HD12 ILE A 17 12.718 0.962 -1.684 1.00 62.22 H new ATOM 0 HD13 ILE A 17 13.476 -0.585 -1.238 1.00 62.22 H new ATOM 246 N LEU A 18 13.866 0.864 -7.169 1.00 13.31 N ATOM 247 CA LEU A 18 13.476 0.412 -8.517 1.00 5.33 C ATOM 248 C LEU A 18 14.675 0.353 -9.441 1.00 41.44 C ATOM 249 O LEU A 18 14.652 -0.333 -10.471 1.00 25.43 O ATOM 250 CB LEU A 18 12.357 1.273 -9.139 1.00 25.22 C ATOM 251 CG LEU A 18 10.940 1.118 -8.558 1.00 61.40 C ATOM 252 CD1 LEU A 18 10.885 1.490 -7.104 1.00 2.41 C ATOM 253 CD2 LEU A 18 9.934 1.927 -9.359 1.00 5.14 C ATOM 0 H LEU A 18 13.483 1.770 -6.900 1.00 13.31 H new ATOM 0 HA LEU A 18 13.073 -0.594 -8.397 1.00 5.33 H new ATOM 0 HB2 LEU A 18 12.646 2.320 -9.047 1.00 25.22 H new ATOM 0 HB3 LEU A 18 12.311 1.048 -10.204 1.00 25.22 H new ATOM 0 HG LEU A 18 10.675 0.064 -8.634 1.00 61.40 H new ATOM 0 HD11 LEU A 18 9.867 1.366 -6.735 1.00 2.41 H new ATOM 0 HD12 LEU A 18 11.557 0.845 -6.538 1.00 2.41 H new ATOM 0 HD13 LEU A 18 11.191 2.529 -6.982 1.00 2.41 H new ATOM 0 HD21 LEU A 18 8.941 1.801 -8.929 1.00 5.14 H new ATOM 0 HD22 LEU A 18 10.210 2.981 -9.331 1.00 5.14 H new ATOM 0 HD23 LEU A 18 9.928 1.580 -10.392 1.00 5.14 H new ATOM 265 N GLU A 19 15.711 1.071 -9.079 1.00 65.23 N ATOM 266 CA GLU A 19 16.937 1.030 -9.799 1.00 32.22 C ATOM 267 C GLU A 19 17.817 -0.069 -9.198 1.00 15.20 C ATOM 268 O GLU A 19 18.189 0.000 -8.013 1.00 31.44 O ATOM 269 CB GLU A 19 17.620 2.404 -9.794 1.00 74.21 C ATOM 270 CG GLU A 19 16.788 3.474 -10.495 1.00 11.01 C ATOM 271 CD GLU A 19 17.467 4.818 -10.577 1.00 72.14 C ATOM 272 OE1 GLU A 19 18.462 4.955 -11.337 1.00 33.32 O ATOM 273 OE2 GLU A 19 17.000 5.778 -9.927 1.00 62.11 O ATOM 0 H GLU A 19 15.716 1.697 -8.274 1.00 65.23 H new ATOM 0 HA GLU A 19 16.753 0.790 -10.846 1.00 32.22 H new ATOM 0 HB2 GLU A 19 17.806 2.710 -8.764 1.00 74.21 H new ATOM 0 HB3 GLU A 19 18.591 2.325 -10.283 1.00 74.21 H new ATOM 0 HG2 GLU A 19 16.552 3.135 -11.504 1.00 11.01 H new ATOM 0 HG3 GLU A 19 15.841 3.588 -9.968 1.00 11.01 H new ATOM 280 N PRO A 20 18.119 -1.120 -10.014 1.00 35.42 N ATOM 281 CA PRO A 20 18.878 -2.321 -9.607 1.00 0.13 C ATOM 282 C PRO A 20 20.069 -2.064 -8.685 1.00 0.43 C ATOM 283 O PRO A 20 20.301 -2.835 -7.766 1.00 61.22 O ATOM 284 CB PRO A 20 19.351 -2.891 -10.935 1.00 14.04 C ATOM 285 CG PRO A 20 18.258 -2.552 -11.880 1.00 41.35 C ATOM 286 CD PRO A 20 17.712 -1.218 -11.433 1.00 62.21 C ATOM 0 HA PRO A 20 18.248 -2.982 -9.012 1.00 0.13 H new ATOM 0 HB2 PRO A 20 20.298 -2.449 -11.245 1.00 14.04 H new ATOM 0 HB3 PRO A 20 19.507 -3.968 -10.874 1.00 14.04 H new ATOM 0 HG2 PRO A 20 18.631 -2.497 -12.903 1.00 41.35 H new ATOM 0 HG3 PRO A 20 17.480 -3.315 -11.865 1.00 41.35 H new ATOM 0 HD2 PRO A 20 18.125 -0.400 -12.024 1.00 62.21 H new ATOM 0 HD3 PRO A 20 16.628 -1.174 -11.541 1.00 62.21 H new ATOM 294 N ALA A 21 20.803 -0.979 -8.924 1.00 73.52 N ATOM 295 CA ALA A 21 21.982 -0.643 -8.120 1.00 40.12 C ATOM 296 C ALA A 21 21.617 -0.502 -6.641 1.00 35.24 C ATOM 297 O ALA A 21 22.266 -1.083 -5.771 1.00 52.24 O ATOM 298 CB ALA A 21 22.631 0.639 -8.629 1.00 62.14 C ATOM 0 H ALA A 21 20.603 -0.313 -9.671 1.00 73.52 H new ATOM 0 HA ALA A 21 22.698 -1.459 -8.218 1.00 40.12 H new ATOM 0 HB1 ALA A 21 23.504 0.872 -8.019 1.00 62.14 H new ATOM 0 HB2 ALA A 21 22.938 0.504 -9.666 1.00 62.14 H new ATOM 0 HB3 ALA A 21 21.916 1.459 -8.566 1.00 62.14 H new ATOM 304 N VAL A 22 20.553 0.230 -6.382 1.00 24.21 N ATOM 305 CA VAL A 22 20.076 0.485 -5.033 1.00 23.14 C ATOM 306 C VAL A 22 19.565 -0.800 -4.397 1.00 50.00 C ATOM 307 O VAL A 22 19.861 -1.105 -3.240 1.00 0.20 O ATOM 308 CB VAL A 22 18.952 1.543 -5.035 1.00 4.21 C ATOM 309 CG1 VAL A 22 18.435 1.795 -3.624 1.00 45.51 C ATOM 310 CG2 VAL A 22 19.450 2.832 -5.665 1.00 23.21 C ATOM 0 H VAL A 22 19.987 0.670 -7.108 1.00 24.21 H new ATOM 0 HA VAL A 22 20.914 0.866 -4.450 1.00 23.14 H new ATOM 0 HB VAL A 22 18.121 1.162 -5.629 1.00 4.21 H new ATOM 0 HG11 VAL A 22 17.644 2.544 -3.655 1.00 45.51 H new ATOM 0 HG12 VAL A 22 18.040 0.867 -3.210 1.00 45.51 H new ATOM 0 HG13 VAL A 22 19.251 2.154 -2.996 1.00 45.51 H new ATOM 0 HG21 VAL A 22 18.649 3.572 -5.661 1.00 23.21 H new ATOM 0 HG22 VAL A 22 20.298 3.212 -5.095 1.00 23.21 H new ATOM 0 HG23 VAL A 22 19.761 2.639 -6.692 1.00 23.21 H new ATOM 320 N ALA A 23 18.822 -1.560 -5.164 1.00 22.14 N ATOM 321 CA ALA A 23 18.286 -2.824 -4.699 1.00 54.33 C ATOM 322 C ALA A 23 19.432 -3.788 -4.363 1.00 13.12 C ATOM 323 O ALA A 23 19.375 -4.538 -3.384 1.00 14.32 O ATOM 324 CB ALA A 23 17.417 -3.417 -5.779 1.00 71.33 C ATOM 0 H ALA A 23 18.570 -1.325 -6.124 1.00 22.14 H new ATOM 0 HA ALA A 23 17.692 -2.660 -3.800 1.00 54.33 H new ATOM 0 HB1 ALA A 23 17.010 -4.368 -5.437 1.00 71.33 H new ATOM 0 HB2 ALA A 23 16.599 -2.733 -6.005 1.00 71.33 H new ATOM 0 HB3 ALA A 23 18.013 -3.579 -6.677 1.00 71.33 H new ATOM 330 N ALA A 24 20.479 -3.731 -5.156 1.00 51.24 N ATOM 331 CA ALA A 24 21.629 -4.589 -4.972 1.00 51.24 C ATOM 332 C ALA A 24 22.454 -4.179 -3.761 1.00 64.52 C ATOM 333 O ALA A 24 23.085 -5.014 -3.133 1.00 52.33 O ATOM 334 CB ALA A 24 22.490 -4.629 -6.225 1.00 41.33 C ATOM 0 H ALA A 24 20.557 -3.090 -5.945 1.00 51.24 H new ATOM 0 HA ALA A 24 21.252 -5.595 -4.785 1.00 51.24 H new ATOM 0 HB1 ALA A 24 23.347 -5.282 -6.057 1.00 41.33 H new ATOM 0 HB2 ALA A 24 21.901 -5.011 -7.059 1.00 41.33 H new ATOM 0 HB3 ALA A 24 22.840 -3.623 -6.458 1.00 41.33 H new ATOM 340 N VAL A 25 22.451 -2.899 -3.420 1.00 60.15 N ATOM 341 CA VAL A 25 23.216 -2.463 -2.261 1.00 15.31 C ATOM 342 C VAL A 25 22.455 -2.716 -0.964 1.00 62.41 C ATOM 343 O VAL A 25 23.056 -2.853 0.097 1.00 42.31 O ATOM 344 CB VAL A 25 23.703 -0.982 -2.331 1.00 32.14 C ATOM 345 CG1 VAL A 25 24.548 -0.740 -3.567 1.00 61.13 C ATOM 346 CG2 VAL A 25 22.554 0.000 -2.255 1.00 50.11 C ATOM 0 H VAL A 25 21.944 -2.163 -3.912 1.00 60.15 H new ATOM 0 HA VAL A 25 24.118 -3.075 -2.273 1.00 15.31 H new ATOM 0 HB VAL A 25 24.329 -0.811 -1.455 1.00 32.14 H new ATOM 0 HG11 VAL A 25 24.872 0.300 -3.588 1.00 61.13 H new ATOM 0 HG12 VAL A 25 25.421 -1.392 -3.544 1.00 61.13 H new ATOM 0 HG13 VAL A 25 23.958 -0.954 -4.458 1.00 61.13 H new ATOM 0 HG21 VAL A 25 22.941 1.018 -2.307 1.00 50.11 H new ATOM 0 HG22 VAL A 25 21.872 -0.172 -3.088 1.00 50.11 H new ATOM 0 HG23 VAL A 25 22.020 -0.137 -1.315 1.00 50.11 H new ATOM 356 N ILE A 26 21.130 -2.777 -1.038 1.00 22.04 N ATOM 357 CA ILE A 26 20.355 -3.051 0.131 1.00 25.11 C ATOM 358 C ILE A 26 20.283 -4.568 0.405 1.00 72.21 C ATOM 359 O ILE A 26 20.540 -5.011 1.527 1.00 63.54 O ATOM 360 CB ILE A 26 18.906 -2.374 0.058 1.00 11.34 C ATOM 361 CG1 ILE A 26 18.075 -2.550 1.355 1.00 31.35 C ATOM 362 CG2 ILE A 26 18.116 -2.846 -1.135 1.00 5.05 C ATOM 363 CD1 ILE A 26 17.549 -3.939 1.632 1.00 61.35 C ATOM 0 H ILE A 26 20.590 -2.640 -1.892 1.00 22.04 H new ATOM 0 HA ILE A 26 20.862 -2.595 0.981 1.00 25.11 H new ATOM 0 HB ILE A 26 19.101 -1.308 -0.055 1.00 11.34 H new ATOM 0 HG12 ILE A 26 18.691 -2.243 2.200 1.00 31.35 H new ATOM 0 HG13 ILE A 26 17.228 -1.866 1.313 1.00 31.35 H new ATOM 0 HG21 ILE A 26 17.141 -2.359 -1.141 1.00 5.05 H new ATOM 0 HG22 ILE A 26 18.653 -2.595 -2.050 1.00 5.05 H new ATOM 0 HG23 ILE A 26 17.982 -3.926 -1.078 1.00 5.05 H new ATOM 0 HD11 ILE A 26 16.985 -3.935 2.565 1.00 61.35 H new ATOM 0 HD12 ILE A 26 16.898 -4.251 0.815 1.00 61.35 H new ATOM 0 HD13 ILE A 26 18.384 -4.634 1.716 1.00 61.35 H new ATOM 375 N LEU A 27 19.981 -5.351 -0.604 1.00 3.21 N ATOM 376 CA LEU A 27 19.774 -6.779 -0.400 1.00 33.51 C ATOM 377 C LEU A 27 21.038 -7.576 -0.619 1.00 1.14 C ATOM 378 O LEU A 27 21.082 -8.756 -0.296 1.00 20.15 O ATOM 379 CB LEU A 27 18.703 -7.311 -1.349 1.00 71.23 C ATOM 380 CG LEU A 27 17.299 -6.743 -1.240 1.00 11.03 C ATOM 381 CD1 LEU A 27 16.429 -7.388 -2.276 1.00 63.42 C ATOM 382 CD2 LEU A 27 16.722 -6.985 0.128 1.00 2.12 C ATOM 0 H LEU A 27 19.872 -5.035 -1.568 1.00 3.21 H new ATOM 0 HA LEU A 27 19.457 -6.898 0.636 1.00 33.51 H new ATOM 0 HB2 LEU A 27 19.050 -7.146 -2.369 1.00 71.23 H new ATOM 0 HB3 LEU A 27 18.638 -8.390 -1.206 1.00 71.23 H new ATOM 0 HG LEU A 27 17.343 -5.666 -1.403 1.00 11.03 H new ATOM 0 HD11 LEU A 27 15.419 -6.985 -2.204 1.00 63.42 H new ATOM 0 HD12 LEU A 27 16.832 -7.183 -3.268 1.00 63.42 H new ATOM 0 HD13 LEU A 27 16.403 -8.465 -2.110 1.00 63.42 H new ATOM 0 HD21 LEU A 27 15.716 -6.568 0.178 1.00 2.12 H new ATOM 0 HD22 LEU A 27 16.680 -8.057 0.321 1.00 2.12 H new ATOM 0 HD23 LEU A 27 17.351 -6.506 0.878 1.00 2.12 H new ATOM 394 N ASP A 28 22.056 -6.931 -1.207 1.00 70.12 N ATOM 395 CA ASP A 28 23.349 -7.586 -1.604 1.00 53.33 C ATOM 396 C ASP A 28 23.132 -8.409 -2.887 1.00 11.42 C ATOM 397 O ASP A 28 24.059 -8.900 -3.514 1.00 73.42 O ATOM 398 CB ASP A 28 23.946 -8.442 -0.454 1.00 25.14 C ATOM 399 CG ASP A 28 25.303 -9.037 -0.756 1.00 21.23 C ATOM 400 OD1 ASP A 28 26.318 -8.349 -0.516 1.00 1.22 O ATOM 401 OD2 ASP A 28 25.377 -10.209 -1.184 1.00 71.30 O ATOM 0 H ASP A 28 22.023 -5.936 -1.429 1.00 70.12 H new ATOM 0 HA ASP A 28 24.086 -6.810 -1.809 1.00 53.33 H new ATOM 0 HB2 ASP A 28 24.025 -7.823 0.440 1.00 25.14 H new ATOM 0 HB3 ASP A 28 23.252 -9.250 -0.221 1.00 25.14 H new ATOM 406 N ARG A 29 21.890 -8.479 -3.271 1.00 3.24 N ATOM 407 CA ARG A 29 21.410 -9.183 -4.426 1.00 72.40 C ATOM 408 C ARG A 29 20.451 -8.248 -5.141 1.00 34.12 C ATOM 409 O ARG A 29 20.000 -7.267 -4.549 1.00 24.25 O ATOM 410 CB ARG A 29 20.656 -10.456 -3.984 1.00 31.23 C ATOM 411 CG ARG A 29 19.539 -10.158 -2.990 1.00 10.11 C ATOM 412 CD ARG A 29 18.720 -11.371 -2.609 1.00 25.10 C ATOM 413 NE ARG A 29 17.722 -11.029 -1.573 1.00 3.05 N ATOM 414 CZ ARG A 29 16.419 -11.362 -1.604 1.00 60.10 C ATOM 415 NH1 ARG A 29 15.933 -12.086 -2.603 1.00 33.23 N ATOM 416 NH2 ARG A 29 15.620 -10.971 -0.626 1.00 23.21 N ATOM 0 H ARG A 29 21.140 -8.018 -2.755 1.00 3.24 H new ATOM 0 HA ARG A 29 22.234 -9.479 -5.076 1.00 72.40 H new ATOM 0 HB2 ARG A 29 20.236 -10.948 -4.861 1.00 31.23 H new ATOM 0 HB3 ARG A 29 21.362 -11.154 -3.534 1.00 31.23 H new ATOM 0 HG2 ARG A 29 19.974 -9.727 -2.088 1.00 10.11 H new ATOM 0 HG3 ARG A 29 18.877 -9.404 -3.417 1.00 10.11 H new ATOM 0 HD2 ARG A 29 18.215 -11.765 -3.491 1.00 25.10 H new ATOM 0 HD3 ARG A 29 19.378 -12.158 -2.240 1.00 25.10 H new ATOM 0 HE ARG A 29 18.049 -10.496 -0.767 1.00 3.05 H new ATOM 0 HH11 ARG A 29 16.548 -12.395 -3.356 1.00 33.23 H new ATOM 0 HH12 ARG A 29 14.944 -12.334 -2.619 1.00 33.23 H new ATOM 0 HH21 ARG A 29 15.992 -10.420 0.147 1.00 23.21 H new ATOM 0 HH22 ARG A 29 14.631 -11.221 -0.645 1.00 23.21 H new ATOM 430 N THR A 30 20.140 -8.531 -6.369 1.00 10.02 N ATOM 431 CA THR A 30 19.214 -7.710 -7.105 1.00 3.30 C ATOM 432 C THR A 30 17.780 -8.023 -6.642 1.00 42.03 C ATOM 433 O THR A 30 17.367 -9.196 -6.604 1.00 11.24 O ATOM 434 CB THR A 30 19.364 -7.948 -8.623 1.00 2.32 C ATOM 435 OG1 THR A 30 20.728 -7.697 -9.000 1.00 21.42 O ATOM 436 CG2 THR A 30 18.460 -7.014 -9.416 1.00 41.21 C ATOM 0 H THR A 30 20.513 -9.326 -6.888 1.00 10.02 H new ATOM 0 HA THR A 30 19.431 -6.660 -6.911 1.00 3.30 H new ATOM 0 HB THR A 30 19.082 -8.978 -8.842 1.00 2.32 H new ATOM 0 HG1 THR A 30 20.834 -7.847 -9.963 1.00 21.42 H new ATOM 0 HG21 THR A 30 18.586 -7.204 -10.482 1.00 41.21 H new ATOM 0 HG22 THR A 30 17.421 -7.189 -9.137 1.00 41.21 H new ATOM 0 HG23 THR A 30 18.725 -5.979 -9.198 1.00 41.21 H new ATOM 444 N ALA A 31 17.042 -6.991 -6.279 1.00 20.43 N ATOM 445 CA ALA A 31 15.697 -7.154 -5.765 1.00 65.12 C ATOM 446 C ALA A 31 14.731 -7.464 -6.854 1.00 3.40 C ATOM 447 O ALA A 31 14.864 -6.968 -7.984 1.00 3.13 O ATOM 448 CB ALA A 31 15.232 -5.905 -5.048 1.00 41.34 C ATOM 0 H ALA A 31 17.356 -6.022 -6.332 1.00 20.43 H new ATOM 0 HA ALA A 31 15.729 -7.988 -5.064 1.00 65.12 H new ATOM 0 HB1 ALA A 31 14.220 -6.056 -4.673 1.00 41.34 H new ATOM 0 HB2 ALA A 31 15.901 -5.694 -4.213 1.00 41.34 H new ATOM 0 HB3 ALA A 31 15.240 -5.063 -5.741 1.00 41.34 H new ATOM 454 N ASP A 32 13.770 -8.275 -6.535 1.00 3.43 N ATOM 455 CA ASP A 32 12.738 -8.582 -7.461 1.00 34.13 C ATOM 456 C ASP A 32 11.582 -7.671 -7.213 1.00 5.01 C ATOM 457 O ASP A 32 10.884 -7.774 -6.186 1.00 52.43 O ATOM 458 CB ASP A 32 12.289 -10.050 -7.366 1.00 22.25 C ATOM 459 CG ASP A 32 13.349 -11.043 -7.785 1.00 11.05 C ATOM 460 OD1 ASP A 32 14.205 -11.412 -6.952 1.00 53.23 O ATOM 461 OD2 ASP A 32 13.336 -11.488 -8.951 1.00 3.21 O ATOM 0 H ASP A 32 13.684 -8.737 -5.630 1.00 3.43 H new ATOM 0 HA ASP A 32 13.127 -8.436 -8.469 1.00 34.13 H new ATOM 0 HB2 ASP A 32 11.991 -10.263 -6.339 1.00 22.25 H new ATOM 0 HB3 ASP A 32 11.406 -10.191 -7.990 1.00 22.25 H new ATOM 466 N THR A 33 11.390 -6.773 -8.115 1.00 25.41 N ATOM 467 CA THR A 33 10.306 -5.870 -8.058 1.00 31.31 C ATOM 468 C THR A 33 9.342 -6.163 -9.157 1.00 24.45 C ATOM 469 O THR A 33 9.741 -6.543 -10.270 1.00 12.11 O ATOM 470 CB THR A 33 10.776 -4.414 -8.178 1.00 53.54 C ATOM 471 OG1 THR A 33 11.821 -4.310 -9.154 1.00 23.51 O ATOM 472 CG2 THR A 33 11.202 -3.822 -6.847 1.00 14.20 C ATOM 0 H THR A 33 11.996 -6.647 -8.926 1.00 25.41 H new ATOM 0 HA THR A 33 9.822 -5.998 -7.090 1.00 31.31 H new ATOM 0 HB THR A 33 9.922 -3.824 -8.511 1.00 53.54 H new ATOM 0 HG1 THR A 33 12.112 -3.377 -9.224 1.00 23.51 H new ATOM 0 HG21 THR A 33 11.524 -2.791 -6.994 1.00 14.20 H new ATOM 0 HG22 THR A 33 10.362 -3.844 -6.153 1.00 14.20 H new ATOM 0 HG23 THR A 33 12.027 -4.405 -6.437 1.00 14.20 H new ATOM 480 N VAL A 34 8.101 -6.001 -8.861 1.00 40.21 N ATOM 481 CA VAL A 34 7.055 -6.183 -9.813 1.00 51.43 C ATOM 482 C VAL A 34 6.130 -4.983 -9.747 1.00 72.35 C ATOM 483 O VAL A 34 5.872 -4.466 -8.646 1.00 42.55 O ATOM 484 CB VAL A 34 6.262 -7.515 -9.578 1.00 23.42 C ATOM 485 CG1 VAL A 34 7.145 -8.727 -9.837 1.00 22.30 C ATOM 486 CG2 VAL A 34 5.719 -7.582 -8.160 1.00 74.10 C ATOM 0 H VAL A 34 7.774 -5.733 -7.933 1.00 40.21 H new ATOM 0 HA VAL A 34 7.496 -6.263 -10.807 1.00 51.43 H new ATOM 0 HB VAL A 34 5.428 -7.525 -10.280 1.00 23.42 H new ATOM 0 HG11 VAL A 34 6.571 -9.638 -9.667 1.00 22.30 H new ATOM 0 HG12 VAL A 34 7.497 -8.707 -10.868 1.00 22.30 H new ATOM 0 HG13 VAL A 34 8.000 -8.705 -9.161 1.00 22.30 H new ATOM 0 HG21 VAL A 34 5.173 -8.516 -8.023 1.00 74.10 H new ATOM 0 HG22 VAL A 34 6.546 -7.538 -7.451 1.00 74.10 H new ATOM 0 HG23 VAL A 34 5.048 -6.741 -7.987 1.00 74.10 H new ATOM 496 N PRO A 35 5.665 -4.478 -10.902 1.00 21.42 N ATOM 497 CA PRO A 35 4.769 -3.322 -10.954 1.00 52.12 C ATOM 498 C PRO A 35 3.486 -3.572 -10.180 1.00 33.20 C ATOM 499 O PRO A 35 2.888 -4.661 -10.259 1.00 75.23 O ATOM 500 CB PRO A 35 4.476 -3.141 -12.453 1.00 64.35 C ATOM 501 CG PRO A 35 4.848 -4.440 -13.073 1.00 64.35 C ATOM 502 CD PRO A 35 5.973 -4.983 -12.248 1.00 13.51 C ATOM 0 HA PRO A 35 5.216 -2.438 -10.500 1.00 52.12 H new ATOM 0 HB2 PRO A 35 3.425 -2.907 -12.625 1.00 64.35 H new ATOM 0 HB3 PRO A 35 5.058 -2.321 -12.874 1.00 64.35 H new ATOM 0 HG2 PRO A 35 4.001 -5.126 -13.079 1.00 64.35 H new ATOM 0 HG3 PRO A 35 5.155 -4.304 -14.110 1.00 64.35 H new ATOM 0 HD2 PRO A 35 6.004 -6.072 -12.274 1.00 13.51 H new ATOM 0 HD3 PRO A 35 6.941 -4.628 -12.601 1.00 13.51 H new ATOM 510 N ALA A 36 3.100 -2.603 -9.405 1.00 0.31 N ATOM 511 CA ALA A 36 1.912 -2.668 -8.616 1.00 1.12 C ATOM 512 C ALA A 36 1.350 -1.288 -8.431 1.00 13.11 C ATOM 513 O ALA A 36 2.082 -0.309 -8.515 1.00 0.05 O ATOM 514 CB ALA A 36 2.199 -3.298 -7.277 1.00 11.21 C ATOM 0 H ALA A 36 3.615 -1.728 -9.303 1.00 0.31 H new ATOM 0 HA ALA A 36 1.179 -3.286 -9.135 1.00 1.12 H new ATOM 0 HB1 ALA A 36 1.282 -3.339 -6.690 1.00 11.21 H new ATOM 0 HB2 ALA A 36 2.581 -4.308 -7.425 1.00 11.21 H new ATOM 0 HB3 ALA A 36 2.943 -2.703 -6.747 1.00 11.21 H new ATOM 520 N VAL A 37 0.084 -1.202 -8.172 1.00 52.13 N ATOM 521 CA VAL A 37 -0.541 0.075 -7.979 1.00 61.03 C ATOM 522 C VAL A 37 -1.198 0.177 -6.603 1.00 50.22 C ATOM 523 O VAL A 37 -1.991 -0.694 -6.191 1.00 74.33 O ATOM 524 CB VAL A 37 -1.542 0.419 -9.124 1.00 74.43 C ATOM 525 CG1 VAL A 37 -2.618 -0.639 -9.247 1.00 34.31 C ATOM 526 CG2 VAL A 37 -2.163 1.797 -8.920 1.00 75.25 C ATOM 0 H VAL A 37 -0.543 -2.002 -8.088 1.00 52.13 H new ATOM 0 HA VAL A 37 0.250 0.824 -8.018 1.00 61.03 H new ATOM 0 HB VAL A 37 -0.978 0.438 -10.057 1.00 74.43 H new ATOM 0 HG11 VAL A 37 -3.301 -0.372 -10.053 1.00 34.31 H new ATOM 0 HG12 VAL A 37 -2.158 -1.602 -9.466 1.00 34.31 H new ATOM 0 HG13 VAL A 37 -3.171 -0.706 -8.310 1.00 34.31 H new ATOM 0 HG21 VAL A 37 -2.856 2.008 -9.734 1.00 75.25 H new ATOM 0 HG22 VAL A 37 -2.700 1.817 -7.972 1.00 75.25 H new ATOM 0 HG23 VAL A 37 -1.377 2.552 -8.908 1.00 75.25 H new ATOM 536 N LEU A 38 -0.840 1.210 -5.889 1.00 72.24 N ATOM 537 CA LEU A 38 -1.393 1.496 -4.619 1.00 61.14 C ATOM 538 C LEU A 38 -2.550 2.447 -4.766 1.00 32.04 C ATOM 539 O LEU A 38 -2.374 3.652 -4.904 1.00 51.25 O ATOM 540 CB LEU A 38 -0.345 2.089 -3.672 1.00 43.12 C ATOM 541 CG LEU A 38 -0.867 2.579 -2.311 1.00 3.34 C ATOM 542 CD1 LEU A 38 -1.689 1.512 -1.607 1.00 44.11 C ATOM 543 CD2 LEU A 38 0.292 2.993 -1.441 1.00 3.13 C ATOM 0 H LEU A 38 -0.138 1.884 -6.193 1.00 72.24 H new ATOM 0 HA LEU A 38 -1.744 0.559 -4.186 1.00 61.14 H new ATOM 0 HB2 LEU A 38 0.423 1.336 -3.495 1.00 43.12 H new ATOM 0 HB3 LEU A 38 0.139 2.926 -4.176 1.00 43.12 H new ATOM 0 HG LEU A 38 -1.518 3.435 -2.489 1.00 3.34 H new ATOM 0 HD11 LEU A 38 -2.040 1.896 -0.649 1.00 44.11 H new ATOM 0 HD12 LEU A 38 -2.545 1.245 -2.226 1.00 44.11 H new ATOM 0 HD13 LEU A 38 -1.072 0.629 -1.440 1.00 44.11 H new ATOM 0 HD21 LEU A 38 -0.082 3.340 -0.478 1.00 3.13 H new ATOM 0 HD22 LEU A 38 0.955 2.141 -1.288 1.00 3.13 H new ATOM 0 HD23 LEU A 38 0.843 3.798 -1.927 1.00 3.13 H new ATOM 555 N HIS A 39 -3.707 1.898 -4.808 1.00 14.51 N ATOM 556 CA HIS A 39 -4.926 2.674 -4.828 1.00 41.54 C ATOM 557 C HIS A 39 -5.131 3.300 -3.438 1.00 22.30 C ATOM 558 O HIS A 39 -4.984 2.602 -2.434 1.00 2.21 O ATOM 559 CB HIS A 39 -6.138 1.756 -5.180 1.00 11.35 C ATOM 560 CG HIS A 39 -6.227 0.493 -4.349 1.00 2.23 C ATOM 561 ND1 HIS A 39 -6.781 0.432 -3.090 1.00 53.31 N ATOM 562 CD2 HIS A 39 -5.778 -0.756 -4.608 1.00 2.22 C ATOM 563 CE1 HIS A 39 -6.659 -0.789 -2.620 1.00 4.34 C ATOM 564 NE2 HIS A 39 -6.058 -1.522 -3.522 1.00 13.54 N ATOM 0 H HIS A 39 -3.854 0.889 -4.830 1.00 14.51 H new ATOM 0 HA HIS A 39 -4.854 3.457 -5.583 1.00 41.54 H new ATOM 0 HB2 HIS A 39 -7.059 2.326 -5.053 1.00 11.35 H new ATOM 0 HB3 HIS A 39 -6.076 1.480 -6.233 1.00 11.35 H new ATOM 0 HD2 HIS A 39 -5.287 -1.084 -5.512 1.00 2.22 H new ATOM 0 HE1 HIS A 39 -6.998 -1.130 -1.653 1.00 4.34 H new ATOM 0 HE2 HIS A 39 -5.835 -2.513 -3.425 1.00 13.54 H new ATOM 573 N GLY A 40 -5.421 4.588 -3.353 1.00 62.33 N ATOM 574 CA GLY A 40 -5.687 5.137 -2.038 1.00 73.21 C ATOM 575 C GLY A 40 -4.689 6.178 -1.620 1.00 12.15 C ATOM 576 O GLY A 40 -4.970 7.013 -0.747 1.00 22.34 O ATOM 0 H GLY A 40 -5.476 5.242 -4.134 1.00 62.33 H new ATOM 0 HA2 GLY A 40 -6.685 5.575 -2.029 1.00 73.21 H new ATOM 0 HA3 GLY A 40 -5.687 4.329 -1.307 1.00 73.21 H new ATOM 580 N TYR A 41 -3.527 6.133 -2.204 1.00 32.54 N ATOM 581 CA TYR A 41 -2.516 7.108 -1.931 1.00 41.20 C ATOM 582 C TYR A 41 -2.236 7.938 -3.124 1.00 31.33 C ATOM 583 O TYR A 41 -2.483 7.529 -4.242 1.00 64.33 O ATOM 584 CB TYR A 41 -1.238 6.481 -1.396 1.00 54.45 C ATOM 585 CG TYR A 41 -1.305 6.129 0.061 1.00 23.21 C ATOM 586 CD1 TYR A 41 -1.905 4.962 0.504 1.00 33.31 C ATOM 587 CD2 TYR A 41 -0.772 6.991 1.002 1.00 13.11 C ATOM 588 CE1 TYR A 41 -1.966 4.663 1.848 1.00 15.01 C ATOM 589 CE2 TYR A 41 -0.832 6.698 2.344 1.00 64.41 C ATOM 590 CZ TYR A 41 -1.427 5.536 2.763 1.00 34.12 C ATOM 591 OH TYR A 41 -1.488 5.244 4.111 1.00 72.23 O ATOM 0 H TYR A 41 -3.255 5.420 -2.881 1.00 32.54 H new ATOM 0 HA TYR A 41 -2.909 7.756 -1.147 1.00 41.20 H new ATOM 0 HB2 TYR A 41 -1.018 5.580 -1.969 1.00 54.45 H new ATOM 0 HB3 TYR A 41 -0.410 7.171 -1.557 1.00 54.45 H new ATOM 0 HD1 TYR A 41 -2.331 4.277 -0.214 1.00 33.31 H new ATOM 0 HD2 TYR A 41 -0.302 7.908 0.678 1.00 13.11 H new ATOM 0 HE1 TYR A 41 -2.434 3.748 2.180 1.00 15.01 H new ATOM 0 HE2 TYR A 41 -0.411 7.382 3.067 1.00 64.41 H new ATOM 0 HH TYR A 41 -1.060 5.963 4.621 1.00 72.23 H new ATOM 601 N HIS A 42 -1.733 9.102 -2.888 1.00 5.31 N ATOM 602 CA HIS A 42 -1.404 10.006 -3.933 1.00 15.04 C ATOM 603 C HIS A 42 0.037 10.458 -3.765 1.00 43.51 C ATOM 604 O HIS A 42 0.490 10.686 -2.643 1.00 44.31 O ATOM 605 CB HIS A 42 -2.384 11.201 -3.898 1.00 30.30 C ATOM 606 CG HIS A 42 -2.196 12.219 -4.984 1.00 21.44 C ATOM 607 ND1 HIS A 42 -2.650 13.513 -4.888 1.00 4.45 N ATOM 608 CD2 HIS A 42 -1.649 12.109 -6.203 1.00 32.11 C ATOM 609 CE1 HIS A 42 -2.392 14.147 -6.008 1.00 11.15 C ATOM 610 NE2 HIS A 42 -1.786 13.316 -6.827 1.00 32.04 N ATOM 0 H HIS A 42 -1.537 9.455 -1.951 1.00 5.31 H new ATOM 0 HA HIS A 42 -1.497 9.521 -4.905 1.00 15.04 H new ATOM 0 HB2 HIS A 42 -3.402 10.816 -3.956 1.00 30.30 H new ATOM 0 HB3 HIS A 42 -2.287 11.701 -2.934 1.00 30.30 H new ATOM 0 HD2 HIS A 42 -1.184 11.226 -6.616 1.00 32.11 H new ATOM 0 HE1 HIS A 42 -2.636 15.177 -6.221 1.00 11.15 H new ATOM 0 HE2 HIS A 42 -1.471 13.536 -7.772 1.00 32.04 H new ATOM 619 N ARG A 43 0.732 10.573 -4.870 1.00 54.13 N ATOM 620 CA ARG A 43 2.105 11.040 -4.910 1.00 61.02 C ATOM 621 C ARG A 43 2.131 12.556 -4.968 1.00 20.43 C ATOM 622 O ARG A 43 1.343 13.172 -5.670 1.00 55.31 O ATOM 623 CB ARG A 43 2.797 10.512 -6.191 1.00 65.44 C ATOM 624 CG ARG A 43 4.185 11.118 -6.470 1.00 31.31 C ATOM 625 CD ARG A 43 5.258 10.624 -5.510 1.00 64.14 C ATOM 626 NE ARG A 43 6.516 11.390 -5.656 1.00 64.03 N ATOM 627 CZ ARG A 43 7.549 11.086 -6.467 1.00 53.50 C ATOM 628 NH1 ARG A 43 7.450 10.103 -7.347 1.00 64.14 N ATOM 629 NH2 ARG A 43 8.672 11.799 -6.407 1.00 41.42 N ATOM 0 H ARG A 43 0.355 10.341 -5.789 1.00 54.13 H new ATOM 0 HA ARG A 43 2.619 10.682 -4.018 1.00 61.02 H new ATOM 0 HB2 ARG A 43 2.897 9.429 -6.113 1.00 65.44 H new ATOM 0 HB3 ARG A 43 2.150 10.712 -7.045 1.00 65.44 H new ATOM 0 HG2 ARG A 43 4.481 10.877 -7.491 1.00 31.31 H new ATOM 0 HG3 ARG A 43 4.120 12.204 -6.405 1.00 31.31 H new ATOM 0 HD2 ARG A 43 4.897 10.709 -4.485 1.00 64.14 H new ATOM 0 HD3 ARG A 43 5.452 9.567 -5.693 1.00 64.14 H new ATOM 0 HE ARG A 43 6.611 12.231 -5.087 1.00 64.03 H new ATOM 0 HH11 ARG A 43 6.585 9.566 -7.417 1.00 64.14 H new ATOM 0 HH12 ARG A 43 8.238 9.882 -7.956 1.00 64.14 H new ATOM 0 HH21 ARG A 43 8.750 12.574 -5.748 1.00 41.42 H new ATOM 0 HH22 ARG A 43 9.455 11.570 -7.020 1.00 41.42 H new ATOM 643 N TYR A 44 3.019 13.128 -4.202 1.00 3.12 N ATOM 644 CA TYR A 44 3.277 14.546 -4.214 1.00 64.41 C ATOM 645 C TYR A 44 4.749 14.720 -4.484 1.00 53.14 C ATOM 646 O TYR A 44 5.525 13.884 -4.071 1.00 63.33 O ATOM 647 CB TYR A 44 2.839 15.195 -2.884 1.00 51.21 C ATOM 648 CG TYR A 44 1.344 15.079 -2.666 1.00 32.21 C ATOM 649 CD1 TYR A 44 0.784 13.941 -2.103 1.00 1.11 C ATOM 650 CD2 TYR A 44 0.492 16.085 -3.070 1.00 72.43 C ATOM 651 CE1 TYR A 44 -0.582 13.825 -1.948 1.00 32.31 C ATOM 652 CE2 TYR A 44 -0.871 15.967 -2.926 1.00 22.01 C ATOM 653 CZ TYR A 44 -1.400 14.840 -2.367 1.00 62.33 C ATOM 654 OH TYR A 44 -2.764 14.716 -2.249 1.00 13.41 O ATOM 0 H TYR A 44 3.597 12.613 -3.538 1.00 3.12 H new ATOM 0 HA TYR A 44 2.700 15.049 -4.990 1.00 64.41 H new ATOM 0 HB2 TYR A 44 3.365 14.718 -2.057 1.00 51.21 H new ATOM 0 HB3 TYR A 44 3.126 16.246 -2.881 1.00 51.21 H new ATOM 0 HD1 TYR A 44 1.427 13.135 -1.782 1.00 1.11 H new ATOM 0 HD2 TYR A 44 0.903 16.983 -3.508 1.00 72.43 H new ATOM 0 HE1 TYR A 44 -1.004 12.938 -1.499 1.00 32.31 H new ATOM 0 HE2 TYR A 44 -1.521 16.764 -3.255 1.00 22.01 H new ATOM 0 HH TYR A 44 -3.122 14.268 -3.044 1.00 13.41 H new ATOM 664 N LYS A 45 5.135 15.765 -5.196 1.00 35.44 N ATOM 665 CA LYS A 45 6.538 15.903 -5.609 1.00 44.11 C ATOM 666 C LYS A 45 7.390 16.676 -4.592 1.00 61.13 C ATOM 667 O LYS A 45 8.485 16.251 -4.249 1.00 0.41 O ATOM 668 CB LYS A 45 6.656 16.581 -6.994 1.00 43.13 C ATOM 669 CG LYS A 45 6.200 18.039 -7.025 1.00 62.41 C ATOM 670 CD LYS A 45 6.457 18.681 -8.358 1.00 64.45 C ATOM 671 CE LYS A 45 6.152 20.175 -8.335 1.00 4.14 C ATOM 672 NZ LYS A 45 4.763 20.473 -7.954 1.00 14.43 N ATOM 0 H LYS A 45 4.519 16.520 -5.499 1.00 35.44 H new ATOM 0 HA LYS A 45 6.926 14.886 -5.666 1.00 44.11 H new ATOM 0 HB2 LYS A 45 7.694 16.531 -7.322 1.00 43.13 H new ATOM 0 HB3 LYS A 45 6.066 16.013 -7.714 1.00 43.13 H new ATOM 0 HG2 LYS A 45 5.135 18.091 -6.797 1.00 62.41 H new ATOM 0 HG3 LYS A 45 6.720 18.598 -6.247 1.00 62.41 H new ATOM 0 HD2 LYS A 45 7.498 18.527 -8.641 1.00 64.45 H new ATOM 0 HD3 LYS A 45 5.845 18.197 -9.119 1.00 64.45 H new ATOM 0 HE2 LYS A 45 6.828 20.667 -7.636 1.00 4.14 H new ATOM 0 HE3 LYS A 45 6.351 20.596 -9.321 1.00 4.14 H new ATOM 0 HZ1 LYS A 45 4.497 21.411 -8.317 1.00 14.43 H new ATOM 0 HZ2 LYS A 45 4.130 19.753 -8.358 1.00 14.43 H new ATOM 0 HZ3 LYS A 45 4.678 20.466 -6.917 1.00 14.43 H new ATOM 686 N LEU A 46 6.865 17.810 -4.124 1.00 21.21 N ATOM 687 CA LEU A 46 7.582 18.747 -3.254 1.00 72.54 C ATOM 688 C LEU A 46 8.847 19.310 -3.932 1.00 32.41 C ATOM 689 O LEU A 46 9.137 19.007 -5.087 1.00 32.24 O ATOM 690 CB LEU A 46 7.909 18.181 -1.854 1.00 73.00 C ATOM 691 CG LEU A 46 6.729 17.805 -0.933 1.00 43.12 C ATOM 692 CD1 LEU A 46 5.715 18.929 -0.806 1.00 61.02 C ATOM 693 CD2 LEU A 46 6.084 16.480 -1.316 1.00 61.43 C ATOM 0 H LEU A 46 5.914 18.109 -4.342 1.00 21.21 H new ATOM 0 HA LEU A 46 6.885 19.569 -3.091 1.00 72.54 H new ATOM 0 HB2 LEU A 46 8.525 17.292 -1.988 1.00 73.00 H new ATOM 0 HB3 LEU A 46 8.521 18.916 -1.331 1.00 73.00 H new ATOM 0 HG LEU A 46 7.153 17.658 0.060 1.00 43.12 H new ATOM 0 HD11 LEU A 46 4.905 18.615 -0.148 1.00 61.02 H new ATOM 0 HD12 LEU A 46 6.200 19.811 -0.389 1.00 61.02 H new ATOM 0 HD13 LEU A 46 5.312 19.168 -1.790 1.00 61.02 H new ATOM 0 HD21 LEU A 46 5.260 16.266 -0.635 1.00 61.43 H new ATOM 0 HD22 LEU A 46 5.705 16.541 -2.336 1.00 61.43 H new ATOM 0 HD23 LEU A 46 6.825 15.683 -1.252 1.00 61.43 H new ATOM 705 N LYS A 47 9.554 20.161 -3.223 1.00 44.54 N ATOM 706 CA LYS A 47 10.787 20.765 -3.728 1.00 25.33 C ATOM 707 C LYS A 47 11.855 20.699 -2.676 1.00 25.21 C ATOM 708 O LYS A 47 13.009 20.365 -2.953 1.00 52.23 O ATOM 709 CB LYS A 47 10.558 22.234 -4.102 1.00 12.10 C ATOM 710 CG LYS A 47 9.506 22.423 -5.146 1.00 35.54 C ATOM 711 CD LYS A 47 9.296 23.883 -5.499 1.00 12.13 C ATOM 712 CE LYS A 47 8.254 24.030 -6.601 1.00 31.15 C ATOM 713 NZ LYS A 47 7.994 25.438 -6.957 1.00 1.54 N ATOM 0 H LYS A 47 9.300 20.460 -2.281 1.00 44.54 H new ATOM 0 HA LYS A 47 11.097 20.211 -4.614 1.00 25.33 H new ATOM 0 HB2 LYS A 47 10.276 22.789 -3.208 1.00 12.10 H new ATOM 0 HB3 LYS A 47 11.495 22.661 -4.460 1.00 12.10 H new ATOM 0 HG2 LYS A 47 9.786 21.872 -6.044 1.00 35.54 H new ATOM 0 HG3 LYS A 47 8.566 21.999 -4.792 1.00 35.54 H new ATOM 0 HD2 LYS A 47 8.976 24.433 -4.614 1.00 12.13 H new ATOM 0 HD3 LYS A 47 10.239 24.322 -5.824 1.00 12.13 H new ATOM 0 HE2 LYS A 47 8.591 23.492 -7.487 1.00 31.15 H new ATOM 0 HE3 LYS A 47 7.323 23.563 -6.279 1.00 31.15 H new ATOM 0 HZ1 LYS A 47 7.278 25.479 -7.710 1.00 1.54 H new ATOM 0 HZ2 LYS A 47 7.646 25.949 -6.121 1.00 1.54 H new ATOM 0 HZ3 LYS A 47 8.874 25.880 -7.291 1.00 1.54 H new ATOM 727 N GLY A 48 11.468 21.002 -1.466 1.00 21.23 N ATOM 728 CA GLY A 48 12.403 21.049 -0.395 1.00 65.10 C ATOM 729 C GLY A 48 12.684 19.689 0.213 1.00 31.42 C ATOM 730 O GLY A 48 13.628 19.526 0.967 1.00 74.10 O ATOM 0 H GLY A 48 10.506 21.219 -1.205 1.00 21.23 H new ATOM 0 HA2 GLY A 48 13.338 21.479 -0.756 1.00 65.10 H new ATOM 0 HA3 GLY A 48 12.024 21.715 0.380 1.00 65.10 H new ATOM 734 N LEU A 49 11.862 18.719 -0.114 1.00 1.21 N ATOM 735 CA LEU A 49 12.025 17.363 0.395 1.00 3.23 C ATOM 736 C LEU A 49 12.935 16.526 -0.555 1.00 34.04 C ATOM 737 O LEU A 49 13.127 16.913 -1.711 1.00 51.42 O ATOM 738 CB LEU A 49 10.650 16.700 0.605 1.00 0.00 C ATOM 739 CG LEU A 49 9.765 17.188 1.771 1.00 71.25 C ATOM 740 CD1 LEU A 49 9.357 18.653 1.645 1.00 12.22 C ATOM 741 CD2 LEU A 49 8.544 16.304 1.877 1.00 41.04 C ATOM 0 H LEU A 49 11.063 18.839 -0.737 1.00 1.21 H new ATOM 0 HA LEU A 49 12.521 17.406 1.365 1.00 3.23 H new ATOM 0 HB2 LEU A 49 10.080 16.821 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.815 15.631 0.740 1.00 0.00 H new ATOM 0 HG LEU A 49 10.360 17.118 2.682 1.00 71.25 H new ATOM 0 HD11 LEU A 49 8.736 18.932 2.496 1.00 12.22 H new ATOM 0 HD12 LEU A 49 10.249 19.279 1.626 1.00 12.22 H new ATOM 0 HD13 LEU A 49 8.794 18.796 0.723 1.00 12.22 H new ATOM 0 HD21 LEU A 49 7.917 16.647 2.700 1.00 41.04 H new ATOM 0 HD22 LEU A 49 7.979 16.351 0.946 1.00 41.04 H new ATOM 0 HD23 LEU A 49 8.854 15.275 2.061 1.00 41.04 H new ATOM 753 N PRO A 50 13.486 15.355 -0.083 1.00 75.34 N ATOM 754 CA PRO A 50 14.473 14.563 -0.853 1.00 53.54 C ATOM 755 C PRO A 50 13.871 13.798 -2.049 1.00 63.20 C ATOM 756 O PRO A 50 13.960 14.249 -3.196 1.00 45.21 O ATOM 757 CB PRO A 50 15.070 13.586 0.186 1.00 53.35 C ATOM 758 CG PRO A 50 14.437 13.947 1.504 1.00 41.34 C ATOM 759 CD PRO A 50 13.180 14.710 1.198 1.00 21.45 C ATOM 0 HA PRO A 50 15.213 15.218 -1.313 1.00 53.54 H new ATOM 0 HB2 PRO A 50 14.853 12.552 -0.081 1.00 53.35 H new ATOM 0 HB3 PRO A 50 16.155 13.682 0.234 1.00 53.35 H new ATOM 0 HG2 PRO A 50 14.212 13.050 2.081 1.00 41.34 H new ATOM 0 HG3 PRO A 50 15.117 14.551 2.105 1.00 41.34 H new ATOM 0 HD2 PRO A 50 12.316 14.050 1.121 1.00 21.45 H new ATOM 0 HD3 PRO A 50 12.953 15.441 1.974 1.00 21.45 H new ATOM 767 N TYR A 51 13.267 12.655 -1.775 1.00 44.42 N ATOM 768 CA TYR A 51 12.554 11.885 -2.781 1.00 73.52 C ATOM 769 C TYR A 51 11.184 11.489 -2.235 1.00 65.42 C ATOM 770 O TYR A 51 10.958 10.385 -1.759 1.00 75.33 O ATOM 771 CB TYR A 51 13.389 10.714 -3.398 1.00 15.01 C ATOM 772 CG TYR A 51 14.024 9.726 -2.427 1.00 53.14 C ATOM 773 CD1 TYR A 51 15.254 9.996 -1.825 1.00 4.13 C ATOM 774 CD2 TYR A 51 13.414 8.520 -2.139 1.00 61.53 C ATOM 775 CE1 TYR A 51 15.842 9.085 -0.962 1.00 22.14 C ATOM 776 CE2 TYR A 51 13.993 7.613 -1.279 1.00 64.02 C ATOM 777 CZ TYR A 51 15.203 7.893 -0.695 1.00 14.44 C ATOM 778 OH TYR A 51 15.776 6.971 0.167 1.00 10.12 O ATOM 0 H TYR A 51 13.257 12.233 -0.846 1.00 44.42 H new ATOM 0 HA TYR A 51 12.386 12.520 -3.651 1.00 73.52 H new ATOM 0 HB2 TYR A 51 12.740 10.155 -4.073 1.00 15.01 H new ATOM 0 HB3 TYR A 51 14.183 11.148 -4.006 1.00 15.01 H new ATOM 0 HD1 TYR A 51 15.755 10.929 -2.035 1.00 4.13 H new ATOM 0 HD2 TYR A 51 12.465 8.284 -2.597 1.00 61.53 H new ATOM 0 HE1 TYR A 51 16.794 9.307 -0.502 1.00 22.14 H new ATOM 0 HE2 TYR A 51 13.494 6.680 -1.064 1.00 64.02 H new ATOM 0 HH TYR A 51 15.192 6.188 0.243 1.00 10.12 H new ATOM 788 N PRO A 52 10.291 12.479 -2.218 1.00 34.01 N ATOM 789 CA PRO A 52 8.974 12.414 -1.579 1.00 11.53 C ATOM 790 C PRO A 52 7.799 12.461 -2.539 1.00 23.13 C ATOM 791 O PRO A 52 7.988 12.760 -3.721 1.00 53.42 O ATOM 792 CB PRO A 52 9.008 13.781 -0.924 1.00 31.41 C ATOM 793 CG PRO A 52 9.731 14.686 -1.880 1.00 74.13 C ATOM 794 CD PRO A 52 10.506 13.813 -2.800 1.00 13.42 C ATOM 0 HA PRO A 52 8.837 11.508 -0.989 1.00 11.53 H new ATOM 0 HB2 PRO A 52 7.999 14.145 -0.731 1.00 31.41 H new ATOM 0 HB3 PRO A 52 9.521 13.740 0.037 1.00 31.41 H new ATOM 0 HG2 PRO A 52 9.025 15.303 -2.436 1.00 74.13 H new ATOM 0 HG3 PRO A 52 10.393 15.365 -1.343 1.00 74.13 H new ATOM 0 HD2 PRO A 52 10.139 13.874 -3.825 1.00 13.42 H new ATOM 0 HD3 PRO A 52 11.562 14.082 -2.823 1.00 13.42 H new ATOM 802 N CYS A 53 6.551 12.125 -2.115 1.00 51.04 N ATOM 803 CA CYS A 53 6.065 11.355 -0.917 1.00 24.43 C ATOM 804 C CYS A 53 4.692 10.821 -1.326 1.00 62.15 C ATOM 805 O CYS A 53 4.208 11.169 -2.415 1.00 53.03 O ATOM 806 CB CYS A 53 5.826 12.193 0.393 1.00 73.03 C ATOM 807 SG CYS A 53 7.246 12.804 1.265 1.00 43.42 S ATOM 0 H CYS A 53 5.751 12.423 -2.673 1.00 51.04 H new ATOM 0 HA CYS A 53 6.833 10.621 -0.673 1.00 24.43 H new ATOM 0 HB2 CYS A 53 5.201 13.047 0.133 1.00 73.03 H new ATOM 0 HB3 CYS A 53 5.251 11.576 1.083 1.00 73.03 H new ATOM 0 HG CYS A 53 6.886 13.219 2.443 1.00 43.42 H new ATOM 813 N ILE A 54 4.050 10.024 -0.486 1.00 11.35 N ATOM 814 CA ILE A 54 2.648 9.699 -0.711 1.00 1.34 C ATOM 815 C ILE A 54 1.825 10.062 0.490 1.00 10.25 C ATOM 816 O ILE A 54 2.286 9.951 1.637 1.00 20.20 O ATOM 817 CB ILE A 54 2.326 8.245 -1.137 1.00 64.04 C ATOM 818 CG1 ILE A 54 2.844 7.191 -0.131 1.00 43.42 C ATOM 819 CG2 ILE A 54 2.773 7.984 -2.558 1.00 31.44 C ATOM 820 CD1 ILE A 54 2.407 5.761 -0.445 1.00 60.43 C ATOM 0 H ILE A 54 4.466 9.597 0.342 1.00 11.35 H new ATOM 0 HA ILE A 54 2.385 10.304 -1.579 1.00 1.34 H new ATOM 0 HB ILE A 54 1.242 8.136 -1.119 1.00 64.04 H new ATOM 0 HG12 ILE A 54 3.933 7.230 -0.109 1.00 43.42 H new ATOM 0 HG13 ILE A 54 2.495 7.455 0.867 1.00 43.42 H new ATOM 0 HG21 ILE A 54 2.535 6.956 -2.831 1.00 31.44 H new ATOM 0 HG22 ILE A 54 2.258 8.668 -3.233 1.00 31.44 H new ATOM 0 HG23 ILE A 54 3.849 8.140 -2.635 1.00 31.44 H new ATOM 0 HD11 ILE A 54 2.812 5.084 0.307 1.00 60.43 H new ATOM 0 HD12 ILE A 54 1.319 5.703 -0.438 1.00 60.43 H new ATOM 0 HD13 ILE A 54 2.779 5.475 -1.429 1.00 60.43 H new ATOM 832 N VAL A 55 0.636 10.529 0.228 1.00 62.32 N ATOM 833 CA VAL A 55 -0.296 10.924 1.252 1.00 5.10 C ATOM 834 C VAL A 55 -1.651 10.289 0.945 1.00 21.34 C ATOM 835 O VAL A 55 -1.988 10.084 -0.232 1.00 52.32 O ATOM 836 CB VAL A 55 -0.435 12.483 1.318 1.00 74.13 C ATOM 837 CG1 VAL A 55 -1.431 12.902 2.369 1.00 72.13 C ATOM 838 CG2 VAL A 55 0.912 13.137 1.589 1.00 41.23 C ATOM 0 H VAL A 55 0.279 10.649 -0.720 1.00 62.32 H new ATOM 0 HA VAL A 55 0.070 10.584 2.221 1.00 5.10 H new ATOM 0 HB VAL A 55 -0.800 12.818 0.347 1.00 74.13 H new ATOM 0 HG11 VAL A 55 -1.503 13.989 2.389 1.00 72.13 H new ATOM 0 HG12 VAL A 55 -2.407 12.477 2.135 1.00 72.13 H new ATOM 0 HG13 VAL A 55 -1.103 12.543 3.345 1.00 72.13 H new ATOM 0 HG21 VAL A 55 0.789 14.219 1.630 1.00 41.23 H new ATOM 0 HG22 VAL A 55 1.305 12.780 2.541 1.00 41.23 H new ATOM 0 HG23 VAL A 55 1.608 12.881 0.790 1.00 41.23 H new ATOM 848 N SER A 56 -2.383 9.939 1.986 1.00 22.20 N ATOM 849 CA SER A 56 -3.685 9.326 1.876 1.00 10.12 C ATOM 850 C SER A 56 -4.668 10.232 1.113 1.00 3.31 C ATOM 851 O SER A 56 -5.005 11.334 1.565 1.00 54.22 O ATOM 852 CB SER A 56 -4.199 9.040 3.277 1.00 75.22 C ATOM 853 OG SER A 56 -3.255 8.255 3.991 1.00 32.24 O ATOM 0 H SER A 56 -2.079 10.078 2.950 1.00 22.20 H new ATOM 0 HA SER A 56 -3.601 8.398 1.311 1.00 10.12 H new ATOM 0 HB2 SER A 56 -4.379 9.976 3.805 1.00 75.22 H new ATOM 0 HB3 SER A 56 -5.153 8.516 3.223 1.00 75.22 H new ATOM 0 HG SER A 56 -2.631 7.839 3.360 1.00 32.24 H new ATOM 859 N SER A 57 -5.072 9.780 -0.051 1.00 23.30 N ATOM 860 CA SER A 57 -6.027 10.461 -0.899 1.00 30.04 C ATOM 861 C SER A 57 -6.647 9.424 -1.826 1.00 14.42 C ATOM 862 O SER A 57 -6.053 9.051 -2.830 1.00 45.22 O ATOM 863 CB SER A 57 -5.348 11.576 -1.717 1.00 25.35 C ATOM 864 OG SER A 57 -4.717 12.528 -0.866 1.00 1.34 O ATOM 0 H SER A 57 -4.736 8.902 -0.447 1.00 23.30 H new ATOM 0 HA SER A 57 -6.794 10.934 -0.286 1.00 30.04 H new ATOM 0 HB2 SER A 57 -4.609 11.139 -2.389 1.00 25.35 H new ATOM 0 HB3 SER A 57 -6.089 12.076 -2.340 1.00 25.35 H new ATOM 0 HG SER A 57 -4.144 13.116 -1.401 1.00 1.34 H new ATOM 870 N ASP A 58 -7.822 8.946 -1.457 1.00 73.13 N ATOM 871 CA ASP A 58 -8.511 7.842 -2.156 1.00 30.44 C ATOM 872 C ASP A 58 -8.875 8.136 -3.583 1.00 42.11 C ATOM 873 O ASP A 58 -9.153 7.218 -4.353 1.00 10.31 O ATOM 874 CB ASP A 58 -9.726 7.342 -1.379 1.00 74.32 C ATOM 875 CG ASP A 58 -9.351 6.645 -0.104 1.00 34.43 C ATOM 876 OD1 ASP A 58 -9.096 5.431 -0.142 1.00 22.34 O ATOM 877 OD2 ASP A 58 -9.305 7.302 0.970 1.00 75.24 O ATOM 0 H ASP A 58 -8.342 9.308 -0.657 1.00 73.13 H new ATOM 0 HA ASP A 58 -7.770 7.044 -2.197 1.00 30.44 H new ATOM 0 HB2 ASP A 58 -10.377 8.185 -1.149 1.00 74.32 H new ATOM 0 HB3 ASP A 58 -10.298 6.659 -2.007 1.00 74.32 H new ATOM 882 N SER A 59 -8.870 9.385 -3.952 1.00 11.55 N ATOM 883 CA SER A 59 -9.164 9.755 -5.312 1.00 61.43 C ATOM 884 C SER A 59 -7.959 9.437 -6.215 1.00 22.53 C ATOM 885 O SER A 59 -8.090 9.314 -7.443 1.00 13.44 O ATOM 886 CB SER A 59 -9.499 11.237 -5.360 1.00 71.45 C ATOM 887 OG SER A 59 -10.533 11.536 -4.421 1.00 34.40 O ATOM 0 H SER A 59 -8.665 10.168 -3.331 1.00 11.55 H new ATOM 0 HA SER A 59 -10.019 9.185 -5.676 1.00 61.43 H new ATOM 0 HB2 SER A 59 -8.610 11.826 -5.134 1.00 71.45 H new ATOM 0 HB3 SER A 59 -9.818 11.514 -6.365 1.00 71.45 H new ATOM 0 HG SER A 59 -10.741 12.493 -4.457 1.00 34.40 H new ATOM 893 N GLY A 60 -6.805 9.255 -5.593 1.00 62.42 N ATOM 894 CA GLY A 60 -5.608 8.998 -6.316 1.00 13.33 C ATOM 895 C GLY A 60 -5.068 7.641 -6.054 1.00 30.24 C ATOM 896 O GLY A 60 -5.471 6.965 -5.090 1.00 24.42 O ATOM 0 H GLY A 60 -6.690 9.284 -4.580 1.00 62.42 H new ATOM 0 HA2 GLY A 60 -5.800 9.109 -7.383 1.00 13.33 H new ATOM 0 HA3 GLY A 60 -4.858 9.742 -6.048 1.00 13.33 H new ATOM 900 N LYS A 61 -4.177 7.219 -6.906 1.00 71.10 N ATOM 901 CA LYS A 61 -3.529 5.956 -6.772 1.00 43.23 C ATOM 902 C LYS A 61 -2.106 6.138 -7.238 1.00 71.20 C ATOM 903 O LYS A 61 -1.829 7.015 -8.062 1.00 33.30 O ATOM 904 CB LYS A 61 -4.212 4.892 -7.631 1.00 52.14 C ATOM 905 CG LYS A 61 -5.735 4.810 -7.463 1.00 52.05 C ATOM 906 CD LYS A 61 -6.334 3.661 -8.245 1.00 41.33 C ATOM 907 CE LYS A 61 -5.876 3.677 -9.675 1.00 2.22 C ATOM 908 NZ LYS A 61 -6.195 4.956 -10.370 1.00 43.13 N ATOM 0 H LYS A 61 -3.880 7.754 -7.722 1.00 71.10 H new ATOM 0 HA LYS A 61 -3.574 5.623 -5.735 1.00 43.23 H new ATOM 0 HB2 LYS A 61 -3.986 5.091 -8.679 1.00 52.14 H new ATOM 0 HB3 LYS A 61 -3.781 3.920 -7.391 1.00 52.14 H new ATOM 0 HG2 LYS A 61 -5.977 4.694 -6.407 1.00 52.05 H new ATOM 0 HG3 LYS A 61 -6.186 5.746 -7.792 1.00 52.05 H new ATOM 0 HD2 LYS A 61 -6.051 2.716 -7.781 1.00 41.33 H new ATOM 0 HD3 LYS A 61 -7.422 3.721 -8.209 1.00 41.33 H new ATOM 0 HE2 LYS A 61 -4.799 3.509 -9.709 1.00 2.22 H new ATOM 0 HE3 LYS A 61 -6.344 2.851 -10.211 1.00 2.22 H new ATOM 0 HZ1 LYS A 61 -5.997 4.858 -11.386 1.00 43.13 H new ATOM 0 HZ2 LYS A 61 -7.201 5.184 -10.234 1.00 43.13 H new ATOM 0 HZ3 LYS A 61 -5.610 5.720 -9.976 1.00 43.13 H new ATOM 922 N VAL A 62 -1.218 5.355 -6.718 1.00 70.53 N ATOM 923 CA VAL A 62 0.173 5.451 -7.076 1.00 75.44 C ATOM 924 C VAL A 62 0.615 4.159 -7.707 1.00 33.23 C ATOM 925 O VAL A 62 0.484 3.109 -7.108 1.00 35.03 O ATOM 926 CB VAL A 62 1.039 5.698 -5.824 1.00 11.35 C ATOM 927 CG1 VAL A 62 2.503 5.899 -6.192 1.00 72.52 C ATOM 928 CG2 VAL A 62 0.515 6.871 -5.044 1.00 24.52 C ATOM 0 H VAL A 62 -1.429 4.629 -6.033 1.00 70.53 H new ATOM 0 HA VAL A 62 0.293 6.282 -7.772 1.00 75.44 H new ATOM 0 HB VAL A 62 0.979 4.811 -5.194 1.00 11.35 H new ATOM 0 HG11 VAL A 62 3.085 6.071 -5.287 1.00 72.52 H new ATOM 0 HG12 VAL A 62 2.876 5.010 -6.700 1.00 72.52 H new ATOM 0 HG13 VAL A 62 2.597 6.761 -6.853 1.00 72.52 H new ATOM 0 HG21 VAL A 62 1.138 7.031 -4.164 1.00 24.52 H new ATOM 0 HG22 VAL A 62 0.536 7.763 -5.670 1.00 24.52 H new ATOM 0 HG23 VAL A 62 -0.510 6.671 -4.731 1.00 24.52 H new ATOM 938 N ASN A 63 1.118 4.222 -8.889 1.00 61.11 N ATOM 939 CA ASN A 63 1.620 3.046 -9.548 1.00 10.23 C ATOM 940 C ASN A 63 3.128 3.008 -9.427 1.00 33.15 C ATOM 941 O ASN A 63 3.806 3.984 -9.758 1.00 2.32 O ATOM 942 CB ASN A 63 1.182 3.007 -11.016 1.00 3.01 C ATOM 943 CG ASN A 63 1.738 1.805 -11.766 1.00 45.01 C ATOM 944 OD1 ASN A 63 1.142 0.732 -11.770 1.00 31.40 O ATOM 945 ND2 ASN A 63 2.861 1.981 -12.418 1.00 41.33 N ATOM 0 H ASN A 63 1.198 5.081 -9.433 1.00 61.11 H new ATOM 0 HA ASN A 63 1.203 2.163 -9.064 1.00 10.23 H new ATOM 0 HB2 ASN A 63 0.093 2.988 -11.065 1.00 3.01 H new ATOM 0 HB3 ASN A 63 1.508 3.921 -11.512 1.00 3.01 H new ATOM 0 HD21 ASN A 63 3.267 1.212 -12.951 1.00 41.33 H new ATOM 0 HD22 ASN A 63 3.329 2.887 -12.392 1.00 41.33 H new ATOM 952 N GLY A 64 3.638 1.914 -8.939 1.00 25.11 N ATOM 953 CA GLY A 64 5.052 1.755 -8.749 1.00 44.44 C ATOM 954 C GLY A 64 5.421 0.303 -8.749 1.00 1.30 C ATOM 955 O GLY A 64 4.892 -0.470 -9.551 1.00 11.11 O ATOM 0 H GLY A 64 3.084 1.104 -8.661 1.00 25.11 H new ATOM 0 HA2 GLY A 64 5.592 2.274 -9.541 1.00 44.44 H new ATOM 0 HA3 GLY A 64 5.352 2.213 -7.806 1.00 44.44 H new ATOM 959 N LYS A 65 6.300 -0.099 -7.861 1.00 54.42 N ATOM 960 CA LYS A 65 6.708 -1.484 -7.793 1.00 13.25 C ATOM 961 C LYS A 65 6.813 -1.936 -6.375 1.00 30.45 C ATOM 962 O LYS A 65 7.136 -1.155 -5.484 1.00 51.53 O ATOM 963 CB LYS A 65 8.051 -1.740 -8.503 1.00 51.23 C ATOM 964 CG LYS A 65 8.056 -1.451 -9.933 1.00 32.11 C ATOM 965 CD LYS A 65 9.380 -1.814 -10.514 1.00 62.32 C ATOM 966 CE LYS A 65 9.369 -1.430 -11.906 1.00 64.43 C ATOM 967 NZ LYS A 65 10.615 -1.763 -12.628 1.00 23.33 N ATOM 0 H LYS A 65 6.746 0.512 -7.176 1.00 54.42 H new ATOM 0 HA LYS A 65 5.937 -2.055 -8.310 1.00 13.25 H new ATOM 0 HB2 LYS A 65 8.820 -1.135 -8.022 1.00 51.23 H new ATOM 0 HB3 LYS A 65 8.329 -2.784 -8.357 1.00 51.23 H new ATOM 0 HG2 LYS A 65 7.264 -2.011 -10.430 1.00 32.11 H new ATOM 0 HG3 LYS A 65 7.852 -0.394 -10.101 1.00 32.11 H new ATOM 0 HD2 LYS A 65 10.184 -1.304 -9.983 1.00 62.32 H new ATOM 0 HD3 LYS A 65 9.561 -2.884 -10.414 1.00 62.32 H new ATOM 0 HE2 LYS A 65 8.531 -1.920 -12.402 1.00 64.43 H new ATOM 0 HE3 LYS A 65 9.196 -0.356 -11.975 1.00 64.43 H new ATOM 0 HZ1 LYS A 65 10.534 -1.458 -13.619 1.00 23.33 H new ATOM 0 HZ2 LYS A 65 11.417 -1.275 -12.180 1.00 23.33 H new ATOM 0 HZ3 LYS A 65 10.772 -2.790 -12.593 1.00 23.33 H new ATOM 981 N VAL A 66 6.523 -3.172 -6.157 1.00 63.33 N ATOM 982 CA VAL A 66 6.691 -3.748 -4.866 1.00 21.22 C ATOM 983 C VAL A 66 7.905 -4.643 -4.859 1.00 13.40 C ATOM 984 O VAL A 66 8.123 -5.430 -5.799 1.00 41.11 O ATOM 985 CB VAL A 66 5.431 -4.504 -4.331 1.00 34.24 C ATOM 986 CG1 VAL A 66 4.293 -3.545 -4.100 1.00 2.12 C ATOM 987 CG2 VAL A 66 4.986 -5.606 -5.270 1.00 53.21 C ATOM 0 H VAL A 66 6.164 -3.811 -6.866 1.00 63.33 H new ATOM 0 HA VAL A 66 6.838 -2.918 -4.175 1.00 21.22 H new ATOM 0 HB VAL A 66 5.716 -4.964 -3.385 1.00 34.24 H new ATOM 0 HG11 VAL A 66 3.426 -4.092 -3.728 1.00 2.12 H new ATOM 0 HG12 VAL A 66 4.592 -2.796 -3.367 1.00 2.12 H new ATOM 0 HG13 VAL A 66 4.036 -3.053 -5.038 1.00 2.12 H new ATOM 0 HG21 VAL A 66 4.108 -6.103 -4.857 1.00 53.21 H new ATOM 0 HG22 VAL A 66 4.738 -5.178 -6.241 1.00 53.21 H new ATOM 0 HG23 VAL A 66 5.792 -6.331 -5.388 1.00 53.21 H new ATOM 997 N ILE A 67 8.710 -4.497 -3.843 1.00 34.42 N ATOM 998 CA ILE A 67 9.879 -5.312 -3.677 1.00 1.32 C ATOM 999 C ILE A 67 9.382 -6.523 -2.938 1.00 64.32 C ATOM 1000 O ILE A 67 8.964 -6.417 -1.779 1.00 1.32 O ATOM 1001 CB ILE A 67 10.934 -4.629 -2.761 1.00 21.11 C ATOM 1002 CG1 ILE A 67 11.023 -3.142 -3.002 1.00 12.01 C ATOM 1003 CG2 ILE A 67 12.317 -5.227 -3.021 1.00 42.32 C ATOM 1004 CD1 ILE A 67 11.905 -2.456 -1.985 1.00 35.03 C ATOM 0 H ILE A 67 8.572 -3.807 -3.105 1.00 34.42 H new ATOM 0 HA ILE A 67 10.346 -5.513 -4.641 1.00 1.32 H new ATOM 0 HB ILE A 67 10.615 -4.803 -1.733 1.00 21.11 H new ATOM 0 HG12 ILE A 67 11.414 -2.960 -4.003 1.00 12.01 H new ATOM 0 HG13 ILE A 67 10.024 -2.708 -2.966 1.00 12.01 H new ATOM 0 HG21 ILE A 67 13.050 -4.743 -2.375 1.00 42.32 H new ATOM 0 HG22 ILE A 67 12.297 -6.296 -2.809 1.00 42.32 H new ATOM 0 HG23 ILE A 67 12.592 -5.069 -4.064 1.00 42.32 H new ATOM 0 HD11 ILE A 67 11.941 -1.387 -2.196 1.00 35.03 H new ATOM 0 HD12 ILE A 67 11.500 -2.615 -0.986 1.00 35.03 H new ATOM 0 HD13 ILE A 67 12.912 -2.870 -2.038 1.00 35.03 H new ATOM 1016 N THR A 68 9.361 -7.625 -3.596 1.00 33.34 N ATOM 1017 CA THR A 68 8.822 -8.824 -3.023 1.00 23.23 C ATOM 1018 C THR A 68 9.926 -9.771 -2.608 1.00 74.13 C ATOM 1019 O THR A 68 11.089 -9.581 -3.001 1.00 40.42 O ATOM 1020 CB THR A 68 7.902 -9.512 -4.027 1.00 44.03 C ATOM 1021 OG1 THR A 68 8.617 -9.724 -5.259 1.00 51.03 O ATOM 1022 CG2 THR A 68 6.682 -8.665 -4.309 1.00 62.34 C ATOM 0 H THR A 68 9.714 -7.731 -4.547 1.00 33.34 H new ATOM 0 HA THR A 68 8.252 -8.551 -2.135 1.00 23.23 H new ATOM 0 HB THR A 68 7.580 -10.464 -3.604 1.00 44.03 H new ATOM 0 HG1 THR A 68 8.029 -10.167 -5.906 1.00 51.03 H new ATOM 0 HG21 THR A 68 6.042 -9.177 -5.027 1.00 62.34 H new ATOM 0 HG22 THR A 68 6.130 -8.502 -3.383 1.00 62.34 H new ATOM 0 HG23 THR A 68 6.993 -7.705 -4.720 1.00 62.34 H new ATOM 1030 N GLY A 69 9.569 -10.789 -1.833 1.00 54.45 N ATOM 1031 CA GLY A 69 10.529 -11.755 -1.383 1.00 34.33 C ATOM 1032 C GLY A 69 11.612 -11.151 -0.521 1.00 72.43 C ATOM 1033 O GLY A 69 12.789 -11.516 -0.642 1.00 21.03 O ATOM 0 H GLY A 69 8.616 -10.955 -1.510 1.00 54.45 H new ATOM 0 HA2 GLY A 69 10.016 -12.534 -0.820 1.00 34.33 H new ATOM 0 HA3 GLY A 69 10.986 -12.236 -2.248 1.00 34.33 H new ATOM 1037 N VAL A 70 11.244 -10.204 0.323 1.00 2.20 N ATOM 1038 CA VAL A 70 12.199 -9.608 1.195 1.00 20.13 C ATOM 1039 C VAL A 70 12.150 -10.328 2.533 1.00 51.41 C ATOM 1040 O VAL A 70 11.099 -10.394 3.164 1.00 63.41 O ATOM 1041 CB VAL A 70 11.906 -8.085 1.394 1.00 32.13 C ATOM 1042 CG1 VAL A 70 12.940 -7.439 2.280 1.00 72.34 C ATOM 1043 CG2 VAL A 70 11.841 -7.370 0.054 1.00 13.44 C ATOM 0 H VAL A 70 10.294 -9.843 0.412 1.00 2.20 H new ATOM 0 HA VAL A 70 13.192 -9.699 0.754 1.00 20.13 H new ATOM 0 HB VAL A 70 10.937 -7.997 1.885 1.00 32.13 H new ATOM 0 HG11 VAL A 70 12.708 -6.381 2.398 1.00 72.34 H new ATOM 0 HG12 VAL A 70 12.936 -7.923 3.257 1.00 72.34 H new ATOM 0 HG13 VAL A 70 13.925 -7.546 1.827 1.00 72.34 H new ATOM 0 HG21 VAL A 70 11.636 -6.312 0.216 1.00 13.44 H new ATOM 0 HG22 VAL A 70 12.794 -7.480 -0.464 1.00 13.44 H new ATOM 0 HG23 VAL A 70 11.046 -7.805 -0.552 1.00 13.44 H new ATOM 1053 N SER A 71 13.269 -10.872 2.952 1.00 15.25 N ATOM 1054 CA SER A 71 13.359 -11.542 4.233 1.00 64.34 C ATOM 1055 C SER A 71 13.331 -10.507 5.338 1.00 25.21 C ATOM 1056 O SER A 71 13.531 -9.326 5.083 1.00 50.15 O ATOM 1057 CB SER A 71 14.671 -12.352 4.312 1.00 21.05 C ATOM 1058 OG SER A 71 14.858 -12.936 5.588 1.00 5.33 O ATOM 0 H SER A 71 14.139 -10.864 2.420 1.00 15.25 H new ATOM 0 HA SER A 71 12.516 -12.223 4.346 1.00 64.34 H new ATOM 0 HB2 SER A 71 14.660 -13.135 3.553 1.00 21.05 H new ATOM 0 HB3 SER A 71 15.514 -11.700 4.085 1.00 21.05 H new ATOM 0 HG SER A 71 15.698 -13.441 5.597 1.00 5.33 H new ATOM 1064 N ASP A 72 13.067 -10.939 6.545 1.00 71.15 N ATOM 1065 CA ASP A 72 13.081 -10.059 7.707 1.00 41.35 C ATOM 1066 C ASP A 72 14.449 -9.396 7.850 1.00 50.02 C ATOM 1067 O ASP A 72 14.536 -8.213 8.131 1.00 11.10 O ATOM 1068 CB ASP A 72 12.694 -10.816 8.997 1.00 32.10 C ATOM 1069 CG ASP A 72 13.639 -11.952 9.358 1.00 35.15 C ATOM 1070 OD1 ASP A 72 13.526 -13.044 8.768 1.00 53.13 O ATOM 1071 OD2 ASP A 72 14.501 -11.769 10.245 1.00 62.23 O ATOM 0 H ASP A 72 12.835 -11.909 6.760 1.00 71.15 H new ATOM 0 HA ASP A 72 12.332 -9.282 7.552 1.00 41.35 H new ATOM 0 HB2 ASP A 72 12.661 -10.108 9.825 1.00 32.10 H new ATOM 0 HB3 ASP A 72 11.687 -11.218 8.881 1.00 32.10 H new ATOM 1076 N ALA A 73 15.504 -10.157 7.567 1.00 24.42 N ATOM 1077 CA ALA A 73 16.882 -9.647 7.669 1.00 15.22 C ATOM 1078 C ALA A 73 17.143 -8.607 6.578 1.00 41.44 C ATOM 1079 O ALA A 73 17.907 -7.651 6.755 1.00 54.53 O ATOM 1080 CB ALA A 73 17.880 -10.791 7.564 1.00 64.43 C ATOM 0 H ALA A 73 15.438 -11.129 7.265 1.00 24.42 H new ATOM 0 HA ALA A 73 17.007 -9.170 8.641 1.00 15.22 H new ATOM 0 HB1 ALA A 73 18.894 -10.398 7.641 1.00 64.43 H new ATOM 0 HB2 ALA A 73 17.704 -11.502 8.371 1.00 64.43 H new ATOM 0 HB3 ALA A 73 17.758 -11.293 6.604 1.00 64.43 H new ATOM 1086 N GLU A 74 16.503 -8.812 5.464 1.00 12.32 N ATOM 1087 CA GLU A 74 16.599 -7.929 4.325 1.00 14.33 C ATOM 1088 C GLU A 74 15.766 -6.670 4.567 1.00 53.11 C ATOM 1089 O GLU A 74 16.176 -5.561 4.225 1.00 3.11 O ATOM 1090 CB GLU A 74 16.095 -8.670 3.092 1.00 23.40 C ATOM 1091 CG GLU A 74 16.885 -9.927 2.741 1.00 65.03 C ATOM 1092 CD GLU A 74 18.277 -9.645 2.242 1.00 1.52 C ATOM 1093 OE1 GLU A 74 19.135 -9.194 3.045 1.00 0.24 O ATOM 1094 OE2 GLU A 74 18.528 -9.862 1.031 1.00 54.43 O ATOM 0 H GLU A 74 15.887 -9.611 5.313 1.00 12.32 H new ATOM 0 HA GLU A 74 17.635 -7.628 4.173 1.00 14.33 H new ATOM 0 HB2 GLU A 74 15.052 -8.944 3.250 1.00 23.40 H new ATOM 0 HB3 GLU A 74 16.121 -7.991 2.240 1.00 23.40 H new ATOM 0 HG2 GLU A 74 16.947 -10.565 3.623 1.00 65.03 H new ATOM 0 HG3 GLU A 74 16.342 -10.487 1.980 1.00 65.03 H new ATOM 1101 N LEU A 75 14.609 -6.859 5.197 1.00 2.44 N ATOM 1102 CA LEU A 75 13.670 -5.784 5.454 1.00 45.54 C ATOM 1103 C LEU A 75 14.288 -4.783 6.411 1.00 44.24 C ATOM 1104 O LEU A 75 14.129 -3.565 6.255 1.00 10.15 O ATOM 1105 CB LEU A 75 12.333 -6.368 6.003 1.00 72.52 C ATOM 1106 CG LEU A 75 11.088 -5.431 6.076 1.00 53.53 C ATOM 1107 CD1 LEU A 75 11.175 -4.378 7.187 1.00 70.41 C ATOM 1108 CD2 LEU A 75 10.907 -4.754 4.741 1.00 1.14 C ATOM 0 H LEU A 75 14.301 -7.768 5.543 1.00 2.44 H new ATOM 0 HA LEU A 75 13.443 -5.259 4.526 1.00 45.54 H new ATOM 0 HB2 LEU A 75 12.067 -7.226 5.385 1.00 72.52 H new ATOM 0 HB3 LEU A 75 12.524 -6.746 7.008 1.00 72.52 H new ATOM 0 HG LEU A 75 10.229 -6.057 6.319 1.00 53.53 H new ATOM 0 HD11 LEU A 75 10.275 -3.763 7.177 1.00 70.41 H new ATOM 0 HD12 LEU A 75 11.264 -4.875 8.153 1.00 70.41 H new ATOM 0 HD13 LEU A 75 12.048 -3.746 7.022 1.00 70.41 H new ATOM 0 HD21 LEU A 75 10.039 -4.096 4.781 1.00 1.14 H new ATOM 0 HD22 LEU A 75 11.796 -4.168 4.507 1.00 1.14 H new ATOM 0 HD23 LEU A 75 10.756 -5.508 3.968 1.00 1.14 H new ATOM 1120 N ASN A 76 15.019 -5.309 7.372 1.00 64.33 N ATOM 1121 CA ASN A 76 15.715 -4.509 8.365 1.00 10.34 C ATOM 1122 C ASN A 76 16.682 -3.518 7.746 1.00 32.40 C ATOM 1123 O ASN A 76 16.934 -2.474 8.320 1.00 64.43 O ATOM 1124 CB ASN A 76 16.437 -5.376 9.404 1.00 55.34 C ATOM 1125 CG ASN A 76 15.493 -6.156 10.304 1.00 43.30 C ATOM 1126 OD1 ASN A 76 14.371 -5.719 10.582 1.00 3.04 O ATOM 1127 ND2 ASN A 76 15.935 -7.300 10.766 1.00 4.53 N ATOM 0 H ASN A 76 15.150 -6.314 7.489 1.00 64.33 H new ATOM 0 HA ASN A 76 14.939 -3.939 8.876 1.00 10.34 H new ATOM 0 HB2 ASN A 76 17.095 -6.075 8.888 1.00 55.34 H new ATOM 0 HB3 ASN A 76 17.070 -4.738 10.021 1.00 55.34 H new ATOM 0 HD21 ASN A 76 15.346 -7.864 11.379 1.00 4.53 H new ATOM 0 HD22 ASN A 76 16.868 -7.626 10.513 1.00 4.53 H new ATOM 1134 N ASN A 77 17.218 -3.817 6.558 1.00 65.44 N ATOM 1135 CA ASN A 77 18.198 -2.918 5.983 1.00 72.50 C ATOM 1136 C ASN A 77 17.499 -1.678 5.431 1.00 14.33 C ATOM 1137 O ASN A 77 18.048 -0.586 5.452 1.00 54.14 O ATOM 1138 CB ASN A 77 19.085 -3.599 4.939 1.00 24.10 C ATOM 1139 CG ASN A 77 20.262 -2.717 4.521 1.00 11.51 C ATOM 1140 OD1 ASN A 77 20.761 -1.914 5.297 1.00 64.53 O ATOM 1141 ND2 ASN A 77 20.732 -2.889 3.331 1.00 34.11 N ATOM 0 H ASN A 77 16.996 -4.643 6.002 1.00 65.44 H new ATOM 0 HA ASN A 77 18.878 -2.607 6.776 1.00 72.50 H new ATOM 0 HB2 ASN A 77 19.462 -4.539 5.342 1.00 24.10 H new ATOM 0 HB3 ASN A 77 18.487 -3.845 4.061 1.00 24.10 H new ATOM 0 HD21 ASN A 77 21.538 -2.349 3.018 1.00 34.11 H new ATOM 0 HD22 ASN A 77 20.297 -3.565 2.704 1.00 34.11 H new ATOM 1148 N PHE A 78 16.249 -1.849 4.969 1.00 44.21 N ATOM 1149 CA PHE A 78 15.451 -0.701 4.520 1.00 11.33 C ATOM 1150 C PHE A 78 15.137 0.173 5.721 1.00 74.11 C ATOM 1151 O PHE A 78 15.015 1.391 5.617 1.00 32.43 O ATOM 1152 CB PHE A 78 14.130 -1.130 3.861 1.00 12.12 C ATOM 1153 CG PHE A 78 14.270 -1.953 2.621 1.00 73.30 C ATOM 1154 CD1 PHE A 78 14.672 -1.374 1.440 1.00 22.21 C ATOM 1155 CD2 PHE A 78 13.989 -3.299 2.633 1.00 12.53 C ATOM 1156 CE1 PHE A 78 14.801 -2.125 0.297 1.00 34.40 C ATOM 1157 CE2 PHE A 78 14.113 -4.057 1.490 1.00 31.21 C ATOM 1158 CZ PHE A 78 14.521 -3.463 0.320 1.00 42.34 C ATOM 0 H PHE A 78 15.779 -2.752 4.898 1.00 44.21 H new ATOM 0 HA PHE A 78 16.034 -0.160 3.775 1.00 11.33 H new ATOM 0 HB2 PHE A 78 13.548 -1.696 4.588 1.00 12.12 H new ATOM 0 HB3 PHE A 78 13.556 -0.235 3.620 1.00 12.12 H new ATOM 0 HD1 PHE A 78 14.889 -0.316 1.411 1.00 22.21 H new ATOM 0 HD2 PHE A 78 13.667 -3.768 3.551 1.00 12.53 H new ATOM 0 HE1 PHE A 78 15.124 -1.658 -0.621 1.00 34.40 H new ATOM 0 HE2 PHE A 78 13.891 -5.114 1.513 1.00 31.21 H new ATOM 0 HZ PHE A 78 14.620 -4.052 -0.580 1.00 42.34 H new ATOM 1168 N ASP A 79 15.035 -0.469 6.865 1.00 63.43 N ATOM 1169 CA ASP A 79 14.748 0.209 8.117 1.00 75.31 C ATOM 1170 C ASP A 79 15.955 1.034 8.555 1.00 62.20 C ATOM 1171 O ASP A 79 15.817 2.088 9.177 1.00 10.02 O ATOM 1172 CB ASP A 79 14.339 -0.808 9.184 1.00 23.44 C ATOM 1173 CG ASP A 79 13.912 -0.175 10.479 1.00 62.13 C ATOM 1174 OD1 ASP A 79 12.756 0.306 10.557 1.00 2.43 O ATOM 1175 OD2 ASP A 79 14.699 -0.186 11.455 1.00 24.03 O ATOM 0 H ASP A 79 15.149 -1.479 6.956 1.00 63.43 H new ATOM 0 HA ASP A 79 13.912 0.894 7.975 1.00 75.31 H new ATOM 0 HB2 ASP A 79 13.522 -1.418 8.800 1.00 23.44 H new ATOM 0 HB3 ASP A 79 15.176 -1.480 9.375 1.00 23.44 H new ATOM 1180 N VAL A 80 17.143 0.545 8.209 1.00 54.40 N ATOM 1181 CA VAL A 80 18.387 1.269 8.458 1.00 63.31 C ATOM 1182 C VAL A 80 18.414 2.556 7.614 1.00 15.52 C ATOM 1183 O VAL A 80 18.918 3.602 8.061 1.00 25.20 O ATOM 1184 CB VAL A 80 19.640 0.390 8.127 1.00 33.24 C ATOM 1185 CG1 VAL A 80 20.933 1.157 8.356 1.00 3.15 C ATOM 1186 CG2 VAL A 80 19.635 -0.881 8.964 1.00 75.45 C ATOM 0 H VAL A 80 17.271 -0.358 7.751 1.00 54.40 H new ATOM 0 HA VAL A 80 18.426 1.521 9.518 1.00 63.31 H new ATOM 0 HB VAL A 80 19.586 0.123 7.072 1.00 33.24 H new ATOM 0 HG11 VAL A 80 21.783 0.517 8.117 1.00 3.15 H new ATOM 0 HG12 VAL A 80 20.951 2.039 7.716 1.00 3.15 H new ATOM 0 HG13 VAL A 80 20.993 1.465 9.400 1.00 3.15 H new ATOM 0 HG21 VAL A 80 20.513 -1.480 8.721 1.00 75.45 H new ATOM 0 HG22 VAL A 80 19.655 -0.620 10.022 1.00 75.45 H new ATOM 0 HG23 VAL A 80 18.733 -1.455 8.749 1.00 75.45 H new ATOM 1196 N ILE A 81 17.845 2.472 6.401 1.00 41.01 N ATOM 1197 CA ILE A 81 17.751 3.619 5.490 1.00 73.42 C ATOM 1198 C ILE A 81 16.973 4.748 6.180 1.00 40.45 C ATOM 1199 O ILE A 81 17.472 5.872 6.297 1.00 41.23 O ATOM 1200 CB ILE A 81 17.033 3.241 4.155 1.00 14.34 C ATOM 1201 CG1 ILE A 81 17.735 2.051 3.458 1.00 2.23 C ATOM 1202 CG2 ILE A 81 16.951 4.447 3.211 1.00 10.10 C ATOM 1203 CD1 ILE A 81 19.180 2.293 3.079 1.00 52.43 C ATOM 0 H ILE A 81 17.441 1.613 6.028 1.00 41.01 H new ATOM 0 HA ILE A 81 18.764 3.942 5.248 1.00 73.42 H new ATOM 0 HB ILE A 81 16.017 2.935 4.405 1.00 14.34 H new ATOM 0 HG12 ILE A 81 17.688 1.184 4.118 1.00 2.23 H new ATOM 0 HG13 ILE A 81 17.177 1.796 2.557 1.00 2.23 H new ATOM 0 HG21 ILE A 81 16.447 4.155 2.290 1.00 10.10 H new ATOM 0 HG22 ILE A 81 16.391 5.249 3.693 1.00 10.10 H new ATOM 0 HG23 ILE A 81 17.957 4.796 2.978 1.00 10.10 H new ATOM 0 HD11 ILE A 81 19.584 1.403 2.597 1.00 52.43 H new ATOM 0 HD12 ILE A 81 19.239 3.136 2.391 1.00 52.43 H new ATOM 0 HD13 ILE A 81 19.759 2.515 3.975 1.00 52.43 H new ATOM 1215 N GLU A 82 15.753 4.422 6.645 1.00 71.33 N ATOM 1216 CA GLU A 82 14.900 5.344 7.430 1.00 72.23 C ATOM 1217 C GLU A 82 14.405 6.570 6.590 1.00 5.01 C ATOM 1218 O GLU A 82 14.888 6.830 5.473 1.00 54.32 O ATOM 1219 CB GLU A 82 15.668 5.781 8.724 1.00 63.31 C ATOM 1220 CG GLU A 82 14.931 6.719 9.676 1.00 24.21 C ATOM 1221 CD GLU A 82 13.645 6.139 10.195 1.00 24.11 C ATOM 1222 OE1 GLU A 82 12.605 6.294 9.526 1.00 64.32 O ATOM 1223 OE2 GLU A 82 13.648 5.543 11.283 1.00 12.11 O ATOM 0 H GLU A 82 15.326 3.509 6.488 1.00 71.33 H new ATOM 0 HA GLU A 82 13.993 4.813 7.721 1.00 72.23 H new ATOM 0 HB2 GLU A 82 15.942 4.882 9.277 1.00 63.31 H new ATOM 0 HB3 GLU A 82 16.597 6.265 8.421 1.00 63.31 H new ATOM 0 HG2 GLU A 82 15.581 6.957 10.518 1.00 24.21 H new ATOM 0 HG3 GLU A 82 14.719 7.656 9.162 1.00 24.21 H new ATOM 1230 N GLY A 83 13.426 7.277 7.119 1.00 21.21 N ATOM 1231 CA GLY A 83 12.921 8.464 6.492 1.00 1.44 C ATOM 1232 C GLY A 83 12.890 9.619 7.478 1.00 32.21 C ATOM 1233 O GLY A 83 12.822 9.399 8.686 1.00 1.02 O ATOM 0 H GLY A 83 12.964 7.038 7.996 1.00 21.21 H new ATOM 0 HA2 GLY A 83 13.546 8.725 5.638 1.00 1.44 H new ATOM 0 HA3 GLY A 83 11.918 8.280 6.108 1.00 1.44 H new ATOM 1237 N ASN A 84 12.950 10.837 6.981 1.00 4.31 N ATOM 1238 CA ASN A 84 12.962 12.027 7.846 1.00 61.30 C ATOM 1239 C ASN A 84 11.625 12.263 8.535 1.00 23.44 C ATOM 1240 O ASN A 84 11.576 12.534 9.727 1.00 72.13 O ATOM 1241 CB ASN A 84 13.363 13.278 7.042 1.00 43.02 C ATOM 1242 CG ASN A 84 13.293 14.566 7.866 1.00 65.23 C ATOM 1243 OD1 ASN A 84 12.269 15.247 7.891 1.00 52.32 O ATOM 1244 ND2 ASN A 84 14.371 14.905 8.531 1.00 34.23 N ATOM 0 H ASN A 84 12.992 11.042 5.983 1.00 4.31 H new ATOM 0 HA ASN A 84 13.702 11.840 8.624 1.00 61.30 H new ATOM 0 HB2 ASN A 84 14.377 13.150 6.663 1.00 43.02 H new ATOM 0 HB3 ASN A 84 12.708 13.372 6.175 1.00 43.02 H new ATOM 0 HD21 ASN A 84 14.378 15.757 9.092 1.00 34.23 H new ATOM 0 HD22 ASN A 84 15.203 14.317 8.488 1.00 34.23 H new ATOM 1251 N ASP A 85 10.556 12.119 7.800 1.00 11.44 N ATOM 1252 CA ASP A 85 9.222 12.388 8.334 1.00 43.41 C ATOM 1253 C ASP A 85 8.296 11.367 7.711 1.00 45.11 C ATOM 1254 O ASP A 85 7.119 11.605 7.457 1.00 13.12 O ATOM 1255 CB ASP A 85 8.830 13.821 7.930 1.00 31.33 C ATOM 1256 CG ASP A 85 7.687 14.427 8.730 1.00 63.22 C ATOM 1257 OD1 ASP A 85 7.873 14.669 9.947 1.00 34.04 O ATOM 1258 OD2 ASP A 85 6.637 14.754 8.160 1.00 13.24 O ATOM 0 H ASP A 85 10.569 11.817 6.826 1.00 11.44 H new ATOM 0 HA ASP A 85 9.174 12.313 9.420 1.00 43.41 H new ATOM 0 HB2 ASP A 85 9.705 14.463 8.032 1.00 31.33 H new ATOM 0 HB3 ASP A 85 8.555 13.822 6.875 1.00 31.33 H new ATOM 1263 N TYR A 86 8.853 10.197 7.504 1.00 34.14 N ATOM 1264 CA TYR A 86 8.156 9.105 6.873 1.00 70.10 C ATOM 1265 C TYR A 86 8.008 7.980 7.884 1.00 62.54 C ATOM 1266 O TYR A 86 8.852 7.838 8.767 1.00 15.22 O ATOM 1267 CB TYR A 86 8.978 8.535 5.701 1.00 73.13 C ATOM 1268 CG TYR A 86 9.354 9.489 4.592 1.00 43.05 C ATOM 1269 CD1 TYR A 86 10.417 10.370 4.740 1.00 73.30 C ATOM 1270 CD2 TYR A 86 8.674 9.482 3.388 1.00 71.34 C ATOM 1271 CE1 TYR A 86 10.786 11.218 3.725 1.00 52.52 C ATOM 1272 CE2 TYR A 86 9.036 10.329 2.367 1.00 5.10 C ATOM 1273 CZ TYR A 86 10.096 11.197 2.542 1.00 64.33 C ATOM 1274 OH TYR A 86 10.460 12.046 1.527 1.00 75.34 O ATOM 0 H TYR A 86 9.812 9.976 7.772 1.00 34.14 H new ATOM 0 HA TYR A 86 7.195 9.473 6.515 1.00 70.10 H new ATOM 0 HB2 TYR A 86 9.896 8.111 6.107 1.00 73.13 H new ATOM 0 HB3 TYR A 86 8.414 7.712 5.262 1.00 73.13 H new ATOM 0 HD1 TYR A 86 10.964 10.389 5.671 1.00 73.30 H new ATOM 0 HD2 TYR A 86 7.847 8.802 3.248 1.00 71.34 H new ATOM 0 HE1 TYR A 86 11.615 11.897 3.859 1.00 52.52 H new ATOM 0 HE2 TYR A 86 8.494 10.316 1.433 1.00 5.10 H new ATOM 0 HH TYR A 86 10.558 11.538 0.695 1.00 75.34 H new ATOM 1284 N GLU A 87 6.965 7.195 7.768 1.00 53.51 N ATOM 1285 CA GLU A 87 6.814 6.029 8.629 1.00 72.21 C ATOM 1286 C GLU A 87 6.321 4.844 7.804 1.00 20.03 C ATOM 1287 O GLU A 87 5.759 5.034 6.716 1.00 64.24 O ATOM 1288 CB GLU A 87 5.849 6.292 9.804 1.00 33.22 C ATOM 1289 CG GLU A 87 4.378 6.422 9.420 1.00 71.53 C ATOM 1290 CD GLU A 87 3.488 6.616 10.625 1.00 44.24 C ATOM 1291 OE1 GLU A 87 3.254 5.635 11.371 1.00 5.03 O ATOM 1292 OE2 GLU A 87 3.022 7.732 10.863 1.00 30.25 O ATOM 0 H GLU A 87 6.211 7.333 7.096 1.00 53.51 H new ATOM 0 HA GLU A 87 7.791 5.805 9.057 1.00 72.21 H new ATOM 0 HB2 GLU A 87 5.950 5.480 10.524 1.00 33.22 H new ATOM 0 HB3 GLU A 87 6.158 7.207 10.309 1.00 33.22 H new ATOM 0 HG2 GLU A 87 4.255 7.265 8.740 1.00 71.53 H new ATOM 0 HG3 GLU A 87 4.065 5.529 8.880 1.00 71.53 H new ATOM 1299 N ARG A 88 6.544 3.637 8.294 1.00 55.21 N ATOM 1300 CA ARG A 88 6.050 2.459 7.621 1.00 63.45 C ATOM 1301 C ARG A 88 4.637 2.145 7.971 1.00 65.51 C ATOM 1302 O ARG A 88 4.293 1.992 9.152 1.00 53.40 O ATOM 1303 CB ARG A 88 6.904 1.223 7.829 1.00 75.43 C ATOM 1304 CG ARG A 88 8.179 1.229 7.077 1.00 44.32 C ATOM 1305 CD ARG A 88 8.760 -0.143 7.119 1.00 44.15 C ATOM 1306 NE ARG A 88 9.841 -0.296 6.177 1.00 3.12 N ATOM 1307 CZ ARG A 88 9.879 -1.241 5.236 1.00 25.01 C ATOM 1308 NH1 ARG A 88 8.922 -2.185 5.191 1.00 72.42 N ATOM 1309 NH2 ARG A 88 10.865 -1.246 4.348 1.00 74.42 N ATOM 0 H ARG A 88 7.063 3.452 9.153 1.00 55.21 H new ATOM 0 HA ARG A 88 6.105 2.723 6.565 1.00 63.45 H new ATOM 0 HB2 ARG A 88 7.123 1.122 8.892 1.00 75.43 H new ATOM 0 HB3 ARG A 88 6.328 0.345 7.538 1.00 75.43 H new ATOM 0 HG2 ARG A 88 8.009 1.537 6.045 1.00 44.32 H new ATOM 0 HG3 ARG A 88 8.873 1.948 7.514 1.00 44.32 H new ATOM 0 HD2 ARG A 88 9.122 -0.354 8.125 1.00 44.15 H new ATOM 0 HD3 ARG A 88 7.982 -0.874 6.901 1.00 44.15 H new ATOM 0 HE ARG A 88 10.623 0.357 6.233 1.00 3.12 H new ATOM 0 HH11 ARG A 88 8.167 -2.179 5.876 1.00 72.42 H new ATOM 0 HH12 ARG A 88 8.952 -2.907 4.471 1.00 72.42 H new ATOM 0 HH21 ARG A 88 11.590 -0.529 4.387 1.00 74.42 H new ATOM 0 HH22 ARG A 88 10.898 -1.967 3.627 1.00 74.42 H new ATOM 1323 N VAL A 89 3.817 2.043 6.953 1.00 22.03 N ATOM 1324 CA VAL A 89 2.437 1.669 7.108 1.00 11.45 C ATOM 1325 C VAL A 89 2.117 0.596 6.119 1.00 2.24 C ATOM 1326 O VAL A 89 2.732 0.536 5.037 1.00 43.34 O ATOM 1327 CB VAL A 89 1.450 2.854 6.927 1.00 53.23 C ATOM 1328 CG1 VAL A 89 1.613 3.865 8.042 1.00 2.43 C ATOM 1329 CG2 VAL A 89 1.648 3.528 5.581 1.00 65.24 C ATOM 0 H VAL A 89 4.093 2.219 5.987 1.00 22.03 H new ATOM 0 HA VAL A 89 2.310 1.317 8.132 1.00 11.45 H new ATOM 0 HB VAL A 89 0.438 2.450 6.966 1.00 53.23 H new ATOM 0 HG11 VAL A 89 0.911 4.686 7.894 1.00 2.43 H new ATOM 0 HG12 VAL A 89 1.413 3.385 9.000 1.00 2.43 H new ATOM 0 HG13 VAL A 89 2.632 4.253 8.036 1.00 2.43 H new ATOM 0 HG21 VAL A 89 0.944 4.354 5.481 1.00 65.24 H new ATOM 0 HG22 VAL A 89 2.667 3.909 5.511 1.00 65.24 H new ATOM 0 HG23 VAL A 89 1.475 2.805 4.783 1.00 65.24 H new ATOM 1339 N THR A 90 1.207 -0.247 6.461 1.00 3.11 N ATOM 1340 CA THR A 90 0.836 -1.308 5.599 1.00 72.24 C ATOM 1341 C THR A 90 -0.375 -0.862 4.775 1.00 53.22 C ATOM 1342 O THR A 90 -1.411 -0.479 5.319 1.00 60.22 O ATOM 1343 CB THR A 90 0.498 -2.562 6.419 1.00 51.13 C ATOM 1344 OG1 THR A 90 1.540 -2.789 7.397 1.00 65.11 O ATOM 1345 CG2 THR A 90 0.429 -3.770 5.522 1.00 71.24 C ATOM 0 H THR A 90 0.700 -0.219 7.346 1.00 3.11 H new ATOM 0 HA THR A 90 1.662 -1.555 4.932 1.00 72.24 H new ATOM 0 HB THR A 90 -0.464 -2.409 6.907 1.00 51.13 H new ATOM 0 HG1 THR A 90 1.326 -3.588 7.923 1.00 65.11 H new ATOM 0 HG21 THR A 90 0.189 -4.651 6.117 1.00 71.24 H new ATOM 0 HG22 THR A 90 -0.343 -3.619 4.768 1.00 71.24 H new ATOM 0 HG23 THR A 90 1.392 -3.915 5.032 1.00 71.24 H new ATOM 1353 N VAL A 91 -0.220 -0.909 3.490 1.00 70.21 N ATOM 1354 CA VAL A 91 -1.211 -0.460 2.540 1.00 34.31 C ATOM 1355 C VAL A 91 -1.501 -1.639 1.627 1.00 21.45 C ATOM 1356 O VAL A 91 -0.720 -2.595 1.597 1.00 11.43 O ATOM 1357 CB VAL A 91 -0.627 0.715 1.697 1.00 21.24 C ATOM 1358 CG1 VAL A 91 -0.162 1.840 2.600 1.00 2.42 C ATOM 1359 CG2 VAL A 91 0.515 0.218 0.842 1.00 51.01 C ATOM 0 H VAL A 91 0.625 -1.272 3.050 1.00 70.21 H new ATOM 0 HA VAL A 91 -2.114 -0.114 3.042 1.00 34.31 H new ATOM 0 HB VAL A 91 -1.411 1.103 1.047 1.00 21.24 H new ATOM 0 HG11 VAL A 91 0.242 2.650 1.993 1.00 2.42 H new ATOM 0 HG12 VAL A 91 -1.005 2.210 3.184 1.00 2.42 H new ATOM 0 HG13 VAL A 91 0.612 1.470 3.273 1.00 2.42 H new ATOM 0 HG21 VAL A 91 0.917 1.044 0.256 1.00 51.01 H new ATOM 0 HG22 VAL A 91 1.298 -0.189 1.482 1.00 51.01 H new ATOM 0 HG23 VAL A 91 0.154 -0.561 0.170 1.00 51.01 H new ATOM 1369 N GLU A 92 -2.568 -1.623 0.907 1.00 54.24 N ATOM 1370 CA GLU A 92 -2.812 -2.737 0.053 1.00 21.44 C ATOM 1371 C GLU A 92 -2.764 -2.285 -1.389 1.00 53.01 C ATOM 1372 O GLU A 92 -3.388 -1.291 -1.763 1.00 45.14 O ATOM 1373 CB GLU A 92 -4.128 -3.409 0.375 1.00 1.10 C ATOM 1374 CG GLU A 92 -4.177 -4.848 -0.087 1.00 14.22 C ATOM 1375 CD GLU A 92 -5.517 -5.478 0.114 1.00 52.01 C ATOM 1376 OE1 GLU A 92 -6.409 -5.252 -0.725 1.00 21.03 O ATOM 1377 OE2 GLU A 92 -5.700 -6.215 1.109 1.00 55.15 O ATOM 0 H GLU A 92 -3.266 -0.879 0.888 1.00 54.24 H new ATOM 0 HA GLU A 92 -2.032 -3.481 0.218 1.00 21.44 H new ATOM 0 HB2 GLU A 92 -4.297 -3.371 1.451 1.00 1.10 H new ATOM 0 HB3 GLU A 92 -4.940 -2.853 -0.095 1.00 1.10 H new ATOM 0 HG2 GLU A 92 -3.914 -4.894 -1.144 1.00 14.22 H new ATOM 0 HG3 GLU A 92 -3.426 -5.424 0.454 1.00 14.22 H new ATOM 1384 N VAL A 93 -2.046 -3.014 -2.190 1.00 41.04 N ATOM 1385 CA VAL A 93 -1.838 -2.670 -3.559 1.00 2.24 C ATOM 1386 C VAL A 93 -2.225 -3.839 -4.426 1.00 0.24 C ATOM 1387 O VAL A 93 -2.501 -4.939 -3.931 1.00 32.24 O ATOM 1388 CB VAL A 93 -0.333 -2.343 -3.854 1.00 44.03 C ATOM 1389 CG1 VAL A 93 0.184 -1.257 -2.957 1.00 42.25 C ATOM 1390 CG2 VAL A 93 0.545 -3.581 -3.752 1.00 73.44 C ATOM 0 H VAL A 93 -1.583 -3.876 -1.904 1.00 41.04 H new ATOM 0 HA VAL A 93 -2.444 -1.790 -3.772 1.00 2.24 H new ATOM 0 HB VAL A 93 -0.287 -1.983 -4.882 1.00 44.03 H new ATOM 0 HG11 VAL A 93 1.230 -1.059 -3.191 1.00 42.25 H new ATOM 0 HG12 VAL A 93 -0.401 -0.350 -3.110 1.00 42.25 H new ATOM 0 HG13 VAL A 93 0.099 -1.573 -1.917 1.00 42.25 H new ATOM 0 HG21 VAL A 93 1.580 -3.312 -3.963 1.00 73.44 H new ATOM 0 HG22 VAL A 93 0.476 -3.994 -2.746 1.00 73.44 H new ATOM 0 HG23 VAL A 93 0.209 -4.326 -4.474 1.00 73.44 H new ATOM 1400 N VAL A 94 -2.289 -3.605 -5.682 1.00 51.05 N ATOM 1401 CA VAL A 94 -2.503 -4.652 -6.619 1.00 23.31 C ATOM 1402 C VAL A 94 -1.221 -4.938 -7.340 1.00 41.23 C ATOM 1403 O VAL A 94 -0.686 -4.068 -8.019 1.00 25.04 O ATOM 1404 CB VAL A 94 -3.620 -4.309 -7.623 1.00 2.14 C ATOM 1405 CG1 VAL A 94 -3.680 -5.341 -8.747 1.00 62.42 C ATOM 1406 CG2 VAL A 94 -4.947 -4.280 -6.903 1.00 22.23 C ATOM 0 H VAL A 94 -2.194 -2.678 -6.097 1.00 51.05 H new ATOM 0 HA VAL A 94 -2.827 -5.538 -6.073 1.00 23.31 H new ATOM 0 HB VAL A 94 -3.406 -3.333 -8.059 1.00 2.14 H new ATOM 0 HG11 VAL A 94 -4.477 -5.076 -9.442 1.00 62.42 H new ATOM 0 HG12 VAL A 94 -2.727 -5.358 -9.276 1.00 62.42 H new ATOM 0 HG13 VAL A 94 -3.879 -6.326 -8.326 1.00 62.42 H new ATOM 0 HG21 VAL A 94 -5.740 -4.037 -7.611 1.00 22.23 H new ATOM 0 HG22 VAL A 94 -5.142 -5.257 -6.460 1.00 22.23 H new ATOM 0 HG23 VAL A 94 -4.918 -3.525 -6.118 1.00 22.23 H new ATOM 1416 N ARG A 95 -0.723 -6.146 -7.166 1.00 64.13 N ATOM 1417 CA ARG A 95 0.469 -6.608 -7.823 1.00 22.22 C ATOM 1418 C ARG A 95 0.118 -6.832 -9.286 1.00 13.10 C ATOM 1419 O ARG A 95 -0.342 -7.902 -9.667 1.00 14.14 O ATOM 1420 CB ARG A 95 0.984 -7.915 -7.161 1.00 33.43 C ATOM 1421 CG ARG A 95 2.251 -8.499 -7.779 1.00 42.44 C ATOM 1422 CD ARG A 95 2.653 -9.833 -7.121 1.00 62.12 C ATOM 1423 NE ARG A 95 3.018 -9.712 -5.685 1.00 63.11 N ATOM 1424 CZ ARG A 95 3.177 -10.769 -4.851 1.00 51.14 C ATOM 1425 NH1 ARG A 95 2.920 -11.992 -5.287 1.00 61.24 N ATOM 1426 NH2 ARG A 95 3.588 -10.592 -3.589 1.00 12.23 N ATOM 0 H ARG A 95 -1.148 -6.841 -6.552 1.00 64.13 H new ATOM 0 HA ARG A 95 1.270 -5.874 -7.737 1.00 22.22 H new ATOM 0 HB2 ARG A 95 1.170 -7.720 -6.105 1.00 33.43 H new ATOM 0 HB3 ARG A 95 0.195 -8.665 -7.212 1.00 33.43 H new ATOM 0 HG2 ARG A 95 2.095 -8.654 -8.847 1.00 42.44 H new ATOM 0 HG3 ARG A 95 3.067 -7.784 -7.676 1.00 42.44 H new ATOM 0 HD2 ARG A 95 1.827 -10.538 -7.217 1.00 62.12 H new ATOM 0 HD3 ARG A 95 3.497 -10.255 -7.666 1.00 62.12 H new ATOM 0 HE ARG A 95 3.157 -8.776 -5.304 1.00 63.11 H new ATOM 0 HH11 ARG A 95 2.604 -12.136 -6.246 1.00 61.24 H new ATOM 0 HH12 ARG A 95 3.038 -12.791 -4.664 1.00 61.24 H new ATOM 0 HH21 ARG A 95 3.786 -9.653 -3.244 1.00 12.23 H new ATOM 0 HH22 ARG A 95 3.703 -11.396 -2.973 1.00 12.23 H new ATOM 1440 N MET A 96 0.294 -5.781 -10.067 1.00 13.22 N ATOM 1441 CA MET A 96 -0.097 -5.703 -11.478 1.00 21.33 C ATOM 1442 C MET A 96 0.455 -6.857 -12.274 1.00 54.13 C ATOM 1443 O MET A 96 -0.231 -7.399 -13.135 1.00 33.41 O ATOM 1444 CB MET A 96 0.347 -4.338 -12.054 1.00 14.02 C ATOM 1445 CG MET A 96 -0.050 -4.033 -13.503 1.00 31.13 C ATOM 1446 SD MET A 96 0.815 -5.016 -14.767 1.00 1.54 S ATOM 1447 CE MET A 96 0.038 -4.380 -16.255 1.00 33.01 C ATOM 0 H MET A 96 0.729 -4.922 -9.731 1.00 13.22 H new ATOM 0 HA MET A 96 -1.182 -5.778 -11.551 1.00 21.33 H new ATOM 0 HB2 MET A 96 -0.062 -3.553 -11.418 1.00 14.02 H new ATOM 0 HB3 MET A 96 1.433 -4.276 -11.980 1.00 14.02 H new ATOM 0 HG2 MET A 96 -1.122 -4.195 -13.611 1.00 31.13 H new ATOM 0 HG3 MET A 96 0.134 -2.977 -13.699 1.00 31.13 H new ATOM 0 HE1 MET A 96 0.458 -4.881 -17.127 1.00 33.01 H new ATOM 0 HE2 MET A 96 -1.035 -4.564 -16.212 1.00 33.01 H new ATOM 0 HE3 MET A 96 0.219 -3.308 -16.330 1.00 33.01 H new ATOM 1457 N ASP A 97 1.670 -7.269 -11.936 1.00 62.24 N ATOM 1458 CA ASP A 97 2.368 -8.387 -12.606 1.00 72.35 C ATOM 1459 C ASP A 97 1.509 -9.662 -12.685 1.00 73.25 C ATOM 1460 O ASP A 97 1.663 -10.467 -13.597 1.00 63.30 O ATOM 1461 CB ASP A 97 3.702 -8.679 -11.911 1.00 54.23 C ATOM 1462 CG ASP A 97 4.469 -9.824 -12.546 1.00 12.43 C ATOM 1463 OD1 ASP A 97 5.059 -9.630 -13.633 1.00 55.30 O ATOM 1464 OD2 ASP A 97 4.496 -10.927 -11.972 1.00 13.00 O ATOM 0 H ASP A 97 2.213 -6.842 -11.185 1.00 62.24 H new ATOM 0 HA ASP A 97 2.559 -8.072 -13.632 1.00 72.35 H new ATOM 0 HB2 ASP A 97 4.319 -7.781 -11.932 1.00 54.23 H new ATOM 0 HB3 ASP A 97 3.515 -8.913 -10.863 1.00 54.23 H new ATOM 1469 N ASN A 98 0.599 -9.832 -11.746 1.00 4.14 N ATOM 1470 CA ASN A 98 -0.288 -10.987 -11.772 1.00 52.41 C ATOM 1471 C ASN A 98 -1.737 -10.535 -11.502 1.00 63.01 C ATOM 1472 O ASN A 98 -2.629 -11.342 -11.307 1.00 5.32 O ATOM 1473 CB ASN A 98 0.169 -12.025 -10.731 1.00 11.30 C ATOM 1474 CG ASN A 98 -0.574 -13.354 -10.825 1.00 4.30 C ATOM 1475 OD1 ASN A 98 -0.993 -13.783 -11.906 1.00 1.43 O ATOM 1476 ND2 ASN A 98 -0.747 -14.000 -9.710 1.00 41.41 N ATOM 0 H ASN A 98 0.452 -9.195 -10.963 1.00 4.14 H new ATOM 0 HA ASN A 98 -0.249 -11.453 -12.756 1.00 52.41 H new ATOM 0 HB2 ASN A 98 1.237 -12.206 -10.855 1.00 11.30 H new ATOM 0 HB3 ASN A 98 0.030 -11.611 -9.732 1.00 11.30 H new ATOM 0 HD21 ASN A 98 -1.242 -14.892 -9.709 1.00 41.41 H new ATOM 0 HD22 ASN A 98 -0.387 -13.615 -8.837 1.00 41.41 H new ATOM 1483 N SER A 99 -1.938 -9.211 -11.498 1.00 23.23 N ATOM 1484 CA SER A 99 -3.244 -8.573 -11.242 1.00 34.24 C ATOM 1485 C SER A 99 -3.871 -8.974 -9.885 1.00 4.14 C ATOM 1486 O SER A 99 -5.062 -8.730 -9.632 1.00 61.00 O ATOM 1487 CB SER A 99 -4.204 -8.840 -12.404 1.00 12.21 C ATOM 1488 OG SER A 99 -3.723 -8.231 -13.608 1.00 14.53 O ATOM 0 H SER A 99 -1.190 -8.540 -11.674 1.00 23.23 H new ATOM 0 HA SER A 99 -3.061 -7.501 -11.173 1.00 34.24 H new ATOM 0 HB2 SER A 99 -4.313 -9.914 -12.552 1.00 12.21 H new ATOM 0 HB3 SER A 99 -5.193 -8.449 -12.163 1.00 12.21 H new ATOM 0 HG SER A 99 -4.349 -8.414 -14.340 1.00 14.53 H new ATOM 1494 N GLU A 100 -3.056 -9.507 -9.004 1.00 61.42 N ATOM 1495 CA GLU A 100 -3.521 -9.973 -7.728 1.00 50.35 C ATOM 1496 C GLU A 100 -3.388 -8.881 -6.716 1.00 44.12 C ATOM 1497 O GLU A 100 -2.646 -7.939 -6.905 1.00 54.41 O ATOM 1498 CB GLU A 100 -2.750 -11.207 -7.289 1.00 55.43 C ATOM 1499 CG GLU A 100 -1.293 -10.931 -7.006 1.00 55.11 C ATOM 1500 CD GLU A 100 -0.512 -12.171 -6.702 1.00 21.53 C ATOM 1501 OE1 GLU A 100 -0.625 -12.701 -5.585 1.00 24.24 O ATOM 1502 OE2 GLU A 100 0.207 -12.646 -7.577 1.00 54.13 O ATOM 0 H GLU A 100 -2.055 -9.627 -9.156 1.00 61.42 H new ATOM 0 HA GLU A 100 -4.571 -10.251 -7.816 1.00 50.35 H new ATOM 0 HB2 GLU A 100 -3.215 -11.618 -6.393 1.00 55.43 H new ATOM 0 HB3 GLU A 100 -2.824 -11.969 -8.065 1.00 55.43 H new ATOM 0 HG2 GLU A 100 -0.850 -10.431 -7.867 1.00 55.11 H new ATOM 0 HG3 GLU A 100 -1.216 -10.244 -6.163 1.00 55.11 H new ATOM 1509 N LYS A 101 -4.090 -9.009 -5.667 1.00 24.20 N ATOM 1510 CA LYS A 101 -4.109 -8.007 -4.656 1.00 40.32 C ATOM 1511 C LYS A 101 -3.195 -8.456 -3.528 1.00 60.41 C ATOM 1512 O LYS A 101 -3.253 -9.607 -3.108 1.00 72.12 O ATOM 1513 CB LYS A 101 -5.553 -7.755 -4.137 1.00 22.43 C ATOM 1514 CG LYS A 101 -6.609 -7.347 -5.207 1.00 73.43 C ATOM 1515 CD LYS A 101 -6.921 -8.453 -6.221 1.00 54.05 C ATOM 1516 CE LYS A 101 -7.891 -7.989 -7.289 1.00 60.04 C ATOM 1517 NZ LYS A 101 -8.164 -9.051 -8.286 1.00 42.43 N ATOM 0 H LYS A 101 -4.680 -9.818 -5.471 1.00 24.20 H new ATOM 0 HA LYS A 101 -3.755 -7.062 -5.069 1.00 40.32 H new ATOM 0 HB2 LYS A 101 -5.901 -8.661 -3.641 1.00 22.43 H new ATOM 0 HB3 LYS A 101 -5.513 -6.972 -3.380 1.00 22.43 H new ATOM 0 HG2 LYS A 101 -7.531 -7.059 -4.702 1.00 73.43 H new ATOM 0 HG3 LYS A 101 -6.250 -6.468 -5.742 1.00 73.43 H new ATOM 0 HD2 LYS A 101 -5.995 -8.785 -6.692 1.00 54.05 H new ATOM 0 HD3 LYS A 101 -7.340 -9.314 -5.700 1.00 54.05 H new ATOM 0 HE2 LYS A 101 -8.826 -7.681 -6.821 1.00 60.04 H new ATOM 0 HE3 LYS A 101 -7.484 -7.113 -7.794 1.00 60.04 H new ATOM 0 HZ1 LYS A 101 -8.832 -8.694 -8.999 1.00 42.43 H new ATOM 0 HZ2 LYS A 101 -7.276 -9.327 -8.751 1.00 42.43 H new ATOM 0 HZ3 LYS A 101 -8.577 -9.878 -7.809 1.00 42.43 H new ATOM 1531 N VAL A 102 -2.342 -7.584 -3.061 1.00 44.35 N ATOM 1532 CA VAL A 102 -1.406 -7.942 -2.021 1.00 21.41 C ATOM 1533 C VAL A 102 -1.216 -6.785 -1.036 1.00 11.32 C ATOM 1534 O VAL A 102 -1.151 -5.614 -1.427 1.00 13.22 O ATOM 1535 CB VAL A 102 -0.032 -8.422 -2.614 1.00 72.51 C ATOM 1536 CG1 VAL A 102 0.644 -7.338 -3.444 1.00 12.31 C ATOM 1537 CG2 VAL A 102 0.903 -8.943 -1.523 1.00 71.53 C ATOM 0 H VAL A 102 -2.273 -6.618 -3.383 1.00 44.35 H new ATOM 0 HA VAL A 102 -1.829 -8.784 -1.473 1.00 21.41 H new ATOM 0 HB VAL A 102 -0.254 -9.252 -3.285 1.00 72.51 H new ATOM 0 HG11 VAL A 102 1.590 -7.715 -3.833 1.00 12.31 H new ATOM 0 HG12 VAL A 102 -0.004 -7.058 -4.274 1.00 12.31 H new ATOM 0 HG13 VAL A 102 0.831 -6.465 -2.819 1.00 12.31 H new ATOM 0 HG21 VAL A 102 1.842 -9.265 -1.972 1.00 71.53 H new ATOM 0 HG22 VAL A 102 1.099 -8.149 -0.802 1.00 71.53 H new ATOM 0 HG23 VAL A 102 0.435 -9.787 -1.015 1.00 71.53 H new ATOM 1547 N LYS A 103 -1.164 -7.119 0.223 1.00 63.34 N ATOM 1548 CA LYS A 103 -0.991 -6.149 1.274 1.00 0.41 C ATOM 1549 C LYS A 103 0.514 -5.961 1.518 1.00 43.52 C ATOM 1550 O LYS A 103 1.224 -6.923 1.812 1.00 50.24 O ATOM 1551 CB LYS A 103 -1.701 -6.656 2.528 1.00 12.11 C ATOM 1552 CG LYS A 103 -1.652 -5.736 3.711 1.00 1.41 C ATOM 1553 CD LYS A 103 -2.498 -4.493 3.540 1.00 32.53 C ATOM 1554 CE LYS A 103 -3.988 -4.797 3.568 1.00 23.41 C ATOM 1555 NZ LYS A 103 -4.418 -5.463 4.820 1.00 61.15 N ATOM 0 H LYS A 103 -1.241 -8.081 0.554 1.00 63.34 H new ATOM 0 HA LYS A 103 -1.422 -5.186 1.001 1.00 0.41 H new ATOM 0 HB2 LYS A 103 -2.745 -6.848 2.281 1.00 12.11 H new ATOM 0 HB3 LYS A 103 -1.260 -7.611 2.813 1.00 12.11 H new ATOM 0 HG2 LYS A 103 -1.988 -6.276 4.596 1.00 1.41 H new ATOM 0 HG3 LYS A 103 -0.618 -5.441 3.890 1.00 1.41 H new ATOM 0 HD2 LYS A 103 -2.260 -3.783 4.332 1.00 32.53 H new ATOM 0 HD3 LYS A 103 -2.246 -4.012 2.595 1.00 32.53 H new ATOM 0 HE2 LYS A 103 -4.545 -3.868 3.447 1.00 23.41 H new ATOM 0 HE3 LYS A 103 -4.240 -5.433 2.719 1.00 23.41 H new ATOM 0 HZ1 LYS A 103 -5.453 -5.403 4.907 1.00 61.15 H new ATOM 0 HZ2 LYS A 103 -4.130 -6.462 4.799 1.00 61.15 H new ATOM 0 HZ3 LYS A 103 -3.974 -4.992 5.634 1.00 61.15 H new ATOM 1569 N VAL A 104 0.993 -4.736 1.392 1.00 35.12 N ATOM 1570 CA VAL A 104 2.430 -4.453 1.445 1.00 53.13 C ATOM 1571 C VAL A 104 2.733 -3.292 2.404 1.00 50.32 C ATOM 1572 O VAL A 104 1.830 -2.598 2.846 1.00 23.33 O ATOM 1573 CB VAL A 104 2.959 -4.078 0.028 1.00 4.42 C ATOM 1574 CG1 VAL A 104 2.678 -5.189 -0.970 1.00 73.34 C ATOM 1575 CG2 VAL A 104 2.335 -2.783 -0.450 1.00 33.21 C ATOM 0 H VAL A 104 0.409 -3.911 1.251 1.00 35.12 H new ATOM 0 HA VAL A 104 2.927 -5.354 1.805 1.00 53.13 H new ATOM 0 HB VAL A 104 4.038 -3.943 0.101 1.00 4.42 H new ATOM 0 HG11 VAL A 104 3.057 -4.902 -1.951 1.00 73.34 H new ATOM 0 HG12 VAL A 104 3.172 -6.104 -0.644 1.00 73.34 H new ATOM 0 HG13 VAL A 104 1.603 -5.359 -1.032 1.00 73.34 H new ATOM 0 HG21 VAL A 104 2.717 -2.539 -1.441 1.00 33.21 H new ATOM 0 HG22 VAL A 104 1.252 -2.897 -0.497 1.00 33.21 H new ATOM 0 HG23 VAL A 104 2.586 -1.980 0.244 1.00 33.21 H new ATOM 1585 N GLU A 105 3.997 -3.079 2.706 1.00 33.35 N ATOM 1586 CA GLU A 105 4.395 -1.990 3.591 1.00 20.42 C ATOM 1587 C GLU A 105 5.004 -0.867 2.784 1.00 13.25 C ATOM 1588 O GLU A 105 5.615 -1.115 1.733 1.00 52.14 O ATOM 1589 CB GLU A 105 5.376 -2.472 4.629 1.00 43.10 C ATOM 1590 CG GLU A 105 4.836 -3.579 5.498 1.00 3.44 C ATOM 1591 CD GLU A 105 5.839 -4.045 6.501 1.00 51.35 C ATOM 1592 OE1 GLU A 105 5.960 -3.410 7.567 1.00 74.02 O ATOM 1593 OE2 GLU A 105 6.526 -5.045 6.232 1.00 3.03 O ATOM 0 H GLU A 105 4.771 -3.643 2.354 1.00 33.35 H new ATOM 0 HA GLU A 105 3.507 -1.623 4.105 1.00 20.42 H new ATOM 0 HB2 GLU A 105 6.280 -2.821 4.129 1.00 43.10 H new ATOM 0 HB3 GLU A 105 5.666 -1.633 5.261 1.00 43.10 H new ATOM 0 HG2 GLU A 105 3.942 -3.230 6.015 1.00 3.44 H new ATOM 0 HG3 GLU A 105 4.535 -4.418 4.871 1.00 3.44 H new ATOM 1600 N THR A 106 4.831 0.359 3.249 1.00 31.04 N ATOM 1601 CA THR A 106 5.308 1.526 2.532 1.00 41.11 C ATOM 1602 C THR A 106 5.860 2.553 3.460 1.00 12.51 C ATOM 1603 O THR A 106 5.777 2.407 4.680 1.00 55.14 O ATOM 1604 CB THR A 106 4.160 2.191 1.769 1.00 2.12 C ATOM 1605 OG1 THR A 106 3.110 2.539 2.682 1.00 62.11 O ATOM 1606 CG2 THR A 106 3.624 1.261 0.775 1.00 61.20 C ATOM 0 H THR A 106 4.359 0.571 4.128 1.00 31.04 H new ATOM 0 HA THR A 106 6.086 1.176 1.853 1.00 41.11 H new ATOM 0 HB THR A 106 4.537 3.087 1.276 1.00 2.12 H new ATOM 0 HG1 THR A 106 2.377 2.966 2.191 1.00 62.11 H new ATOM 0 HG21 THR A 106 2.807 1.738 0.234 1.00 61.20 H new ATOM 0 HG22 THR A 106 4.411 0.985 0.074 1.00 61.20 H new ATOM 0 HG23 THR A 106 3.254 0.366 1.276 1.00 61.20 H new ATOM 1614 N TYR A 107 6.426 3.578 2.881 1.00 14.22 N ATOM 1615 CA TYR A 107 6.846 4.726 3.614 1.00 21.22 C ATOM 1616 C TYR A 107 5.876 5.835 3.280 1.00 51.22 C ATOM 1617 O TYR A 107 5.743 6.233 2.119 1.00 11.53 O ATOM 1618 CB TYR A 107 8.283 5.131 3.229 1.00 23.24 C ATOM 1619 CG TYR A 107 9.338 4.122 3.636 1.00 34.25 C ATOM 1620 CD1 TYR A 107 9.483 2.918 2.956 1.00 74.21 C ATOM 1621 CD2 TYR A 107 10.175 4.370 4.714 1.00 24.13 C ATOM 1622 CE1 TYR A 107 10.431 1.997 3.337 1.00 52.13 C ATOM 1623 CE2 TYR A 107 11.126 3.450 5.102 1.00 21.23 C ATOM 1624 CZ TYR A 107 11.251 2.266 4.409 1.00 33.11 C ATOM 1625 OH TYR A 107 12.182 1.334 4.806 1.00 63.50 O ATOM 0 H TYR A 107 6.607 3.633 1.879 1.00 14.22 H new ATOM 0 HA TYR A 107 6.851 4.518 4.684 1.00 21.22 H new ATOM 0 HB2 TYR A 107 8.332 5.277 2.150 1.00 23.24 H new ATOM 0 HB3 TYR A 107 8.515 6.091 3.691 1.00 23.24 H new ATOM 0 HD1 TYR A 107 8.841 2.702 2.115 1.00 74.21 H new ATOM 0 HD2 TYR A 107 10.080 5.298 5.258 1.00 24.13 H new ATOM 0 HE1 TYR A 107 10.531 1.067 2.797 1.00 52.13 H new ATOM 0 HE2 TYR A 107 11.769 3.657 5.945 1.00 21.23 H new ATOM 0 HH TYR A 107 13.034 1.781 4.990 1.00 63.50 H new ATOM 1635 N VAL A 108 5.195 6.305 4.274 1.00 11.34 N ATOM 1636 CA VAL A 108 4.204 7.330 4.102 1.00 61.40 C ATOM 1637 C VAL A 108 4.679 8.584 4.796 1.00 0.00 C ATOM 1638 O VAL A 108 5.546 8.520 5.664 1.00 40.21 O ATOM 1639 CB VAL A 108 2.831 6.879 4.700 1.00 73.04 C ATOM 1640 CG1 VAL A 108 2.911 6.709 6.205 1.00 25.24 C ATOM 1641 CG2 VAL A 108 1.700 7.824 4.322 1.00 3.21 C ATOM 0 H VAL A 108 5.308 5.990 5.237 1.00 11.34 H new ATOM 0 HA VAL A 108 4.064 7.520 3.038 1.00 61.40 H new ATOM 0 HB VAL A 108 2.603 5.908 4.260 1.00 73.04 H new ATOM 0 HG11 VAL A 108 1.940 6.395 6.588 1.00 25.24 H new ATOM 0 HG12 VAL A 108 3.658 5.953 6.447 1.00 25.24 H new ATOM 0 HG13 VAL A 108 3.193 7.657 6.664 1.00 25.24 H new ATOM 0 HG21 VAL A 108 0.767 7.469 4.760 1.00 3.21 H new ATOM 0 HG22 VAL A 108 1.920 8.823 4.697 1.00 3.21 H new ATOM 0 HG23 VAL A 108 1.601 7.858 3.237 1.00 3.21 H new ATOM 1651 N TRP A 109 4.132 9.695 4.419 1.00 40.40 N ATOM 1652 CA TRP A 109 4.471 10.937 5.015 1.00 42.41 C ATOM 1653 C TRP A 109 3.635 11.059 6.293 1.00 11.42 C ATOM 1654 O TRP A 109 2.420 11.052 6.225 1.00 5.01 O ATOM 1655 CB TRP A 109 4.139 12.034 4.002 1.00 64.41 C ATOM 1656 CG TRP A 109 4.640 13.381 4.345 1.00 21.02 C ATOM 1657 CD1 TRP A 109 3.905 14.501 4.553 1.00 51.22 C ATOM 1658 CD2 TRP A 109 6.004 13.753 4.514 1.00 61.34 C ATOM 1659 NE1 TRP A 109 4.734 15.552 4.828 1.00 24.21 N ATOM 1660 CE2 TRP A 109 6.029 15.117 4.818 1.00 23.01 C ATOM 1661 CE3 TRP A 109 7.206 13.059 4.436 1.00 22.30 C ATOM 1662 CZ2 TRP A 109 7.213 15.806 5.045 1.00 62.42 C ATOM 1663 CZ3 TRP A 109 8.376 13.731 4.660 1.00 15.20 C ATOM 1664 CH2 TRP A 109 8.379 15.096 4.964 1.00 71.01 C ATOM 0 H TRP A 109 3.431 9.761 3.681 1.00 40.40 H new ATOM 0 HA TRP A 109 5.526 11.020 5.276 1.00 42.41 H new ATOM 0 HB2 TRP A 109 4.549 11.748 3.033 1.00 64.41 H new ATOM 0 HB3 TRP A 109 3.056 12.085 3.888 1.00 64.41 H new ATOM 0 HD1 TRP A 109 2.827 14.555 4.508 1.00 51.22 H new ATOM 0 HE1 TRP A 109 4.434 16.509 5.012 1.00 24.21 H new ATOM 0 HE3 TRP A 109 7.216 12.005 4.202 1.00 22.30 H new ATOM 0 HZ2 TRP A 109 7.213 16.861 5.276 1.00 62.42 H new ATOM 0 HZ3 TRP A 109 9.314 13.198 4.601 1.00 15.20 H new ATOM 0 HH2 TRP A 109 9.319 15.598 5.138 1.00 71.01 H new ATOM 1675 N VAL A 110 4.288 11.145 7.452 1.00 63.40 N ATOM 1676 CA VAL A 110 3.593 11.153 8.741 1.00 32.54 C ATOM 1677 C VAL A 110 2.668 12.361 8.904 1.00 53.52 C ATOM 1678 O VAL A 110 1.749 12.350 9.721 1.00 54.11 O ATOM 1679 CB VAL A 110 4.561 11.045 9.945 1.00 1.34 C ATOM 1680 CG1 VAL A 110 5.384 9.789 9.867 1.00 62.53 C ATOM 1681 CG2 VAL A 110 5.458 12.235 10.057 1.00 52.52 C ATOM 0 H VAL A 110 5.303 11.210 7.525 1.00 63.40 H new ATOM 0 HA VAL A 110 2.972 10.257 8.736 1.00 32.54 H new ATOM 0 HB VAL A 110 3.941 11.009 10.841 1.00 1.34 H new ATOM 0 HG11 VAL A 110 6.055 9.740 10.725 1.00 62.53 H new ATOM 0 HG12 VAL A 110 4.725 8.921 9.871 1.00 62.53 H new ATOM 0 HG13 VAL A 110 5.970 9.795 8.948 1.00 62.53 H new ATOM 0 HG21 VAL A 110 6.118 12.113 10.916 1.00 52.52 H new ATOM 0 HG22 VAL A 110 6.055 12.327 9.150 1.00 52.52 H new ATOM 0 HG23 VAL A 110 4.855 13.134 10.187 1.00 52.52 H new ATOM 1691 N ASN A 111 2.913 13.379 8.113 1.00 34.04 N ATOM 1692 CA ASN A 111 2.145 14.617 8.117 1.00 33.24 C ATOM 1693 C ASN A 111 0.902 14.469 7.200 1.00 70.03 C ATOM 1694 O ASN A 111 0.227 15.419 6.918 1.00 41.05 O ATOM 1695 CB ASN A 111 3.069 15.771 7.641 1.00 44.15 C ATOM 1696 CG ASN A 111 2.464 17.178 7.706 1.00 62.13 C ATOM 1697 OD1 ASN A 111 2.560 17.848 8.726 1.00 42.40 O ATOM 1698 ND2 ASN A 111 1.885 17.638 6.623 1.00 61.21 N ATOM 0 H ASN A 111 3.670 13.376 7.429 1.00 34.04 H new ATOM 0 HA ASN A 111 1.787 14.843 9.121 1.00 33.24 H new ATOM 0 HB2 ASN A 111 3.976 15.758 8.245 1.00 44.15 H new ATOM 0 HB3 ASN A 111 3.368 15.571 6.612 1.00 44.15 H new ATOM 0 HD21 ASN A 111 1.497 18.581 6.613 1.00 61.21 H new ATOM 0 HD22 ASN A 111 1.822 17.052 5.790 1.00 61.21 H new ATOM 1705 N LYS A 112 0.604 13.227 6.787 1.00 72.51 N ATOM 1706 CA LYS A 112 -0.503 12.906 5.855 1.00 52.22 C ATOM 1707 C LYS A 112 -1.890 13.490 6.195 1.00 2.51 C ATOM 1708 O LYS A 112 -2.793 13.485 5.356 1.00 64.44 O ATOM 1709 CB LYS A 112 -0.558 11.411 5.508 1.00 21.11 C ATOM 1710 CG LYS A 112 -0.665 10.474 6.668 1.00 44.11 C ATOM 1711 CD LYS A 112 -1.999 10.562 7.364 1.00 54.31 C ATOM 1712 CE LYS A 112 -2.015 9.681 8.561 1.00 52.24 C ATOM 1713 NZ LYS A 112 -3.301 9.747 9.270 1.00 72.14 N ATOM 0 H LYS A 112 1.126 12.405 7.090 1.00 72.51 H new ATOM 0 HA LYS A 112 -0.231 13.454 4.953 1.00 52.22 H new ATOM 0 HB2 LYS A 112 -1.410 11.242 4.850 1.00 21.11 H new ATOM 0 HB3 LYS A 112 0.338 11.156 4.942 1.00 21.11 H new ATOM 0 HG2 LYS A 112 -0.507 9.453 6.321 1.00 44.11 H new ATOM 0 HG3 LYS A 112 0.128 10.694 7.382 1.00 44.11 H new ATOM 0 HD2 LYS A 112 -2.195 11.593 7.660 1.00 54.31 H new ATOM 0 HD3 LYS A 112 -2.795 10.270 6.678 1.00 54.31 H new ATOM 0 HE2 LYS A 112 -1.819 8.652 8.258 1.00 52.24 H new ATOM 0 HE3 LYS A 112 -1.212 9.972 9.238 1.00 52.24 H new ATOM 0 HZ1 LYS A 112 -3.440 8.874 9.819 1.00 72.14 H new ATOM 0 HZ2 LYS A 112 -3.301 10.564 9.913 1.00 72.14 H new ATOM 0 HZ3 LYS A 112 -4.073 9.849 8.580 1.00 72.14 H new ATOM 1727 N ASP A 113 -2.071 13.960 7.410 1.00 52.12 N ATOM 1728 CA ASP A 113 -3.352 14.569 7.791 1.00 71.22 C ATOM 1729 C ASP A 113 -3.415 16.012 7.340 1.00 53.12 C ATOM 1730 O ASP A 113 -4.487 16.624 7.316 1.00 73.03 O ATOM 1731 CB ASP A 113 -3.634 14.466 9.294 1.00 61.35 C ATOM 1732 CG ASP A 113 -3.823 13.051 9.759 1.00 1.33 C ATOM 1733 OD1 ASP A 113 -2.833 12.388 10.108 1.00 41.51 O ATOM 1734 OD2 ASP A 113 -4.970 12.574 9.789 1.00 1.50 O ATOM 0 H ASP A 113 -1.368 13.939 8.149 1.00 52.12 H new ATOM 0 HA ASP A 113 -4.130 14.001 7.282 1.00 71.22 H new ATOM 0 HB2 ASP A 113 -2.808 14.917 9.845 1.00 61.35 H new ATOM 0 HB3 ASP A 113 -4.528 15.043 9.531 1.00 61.35 H new ATOM 1739 N ASP A 114 -2.274 16.542 6.981 1.00 1.45 N ATOM 1740 CA ASP A 114 -2.138 17.891 6.480 1.00 63.44 C ATOM 1741 C ASP A 114 -1.662 17.841 5.026 1.00 2.12 C ATOM 1742 O ASP A 114 -0.643 17.220 4.720 1.00 3.43 O ATOM 1743 CB ASP A 114 -1.145 18.661 7.374 1.00 43.41 C ATOM 1744 CG ASP A 114 -0.678 19.979 6.801 1.00 73.31 C ATOM 1745 OD1 ASP A 114 -1.487 20.908 6.650 1.00 53.04 O ATOM 1746 OD2 ASP A 114 0.531 20.097 6.495 1.00 24.11 O ATOM 0 H ASP A 114 -1.389 16.037 7.029 1.00 1.45 H new ATOM 0 HA ASP A 114 -3.096 18.410 6.506 1.00 63.44 H new ATOM 0 HB2 ASP A 114 -1.614 18.845 8.341 1.00 43.41 H new ATOM 0 HB3 ASP A 114 -0.275 18.030 7.556 1.00 43.41 H new ATOM 1751 N PRO A 115 -2.402 18.474 4.108 1.00 13.00 N ATOM 1752 CA PRO A 115 -2.075 18.459 2.696 1.00 52.23 C ATOM 1753 C PRO A 115 -1.156 19.618 2.273 1.00 10.53 C ATOM 1754 O PRO A 115 -1.434 20.801 2.553 1.00 61.11 O ATOM 1755 CB PRO A 115 -3.449 18.576 2.039 1.00 44.02 C ATOM 1756 CG PRO A 115 -4.285 19.367 3.005 1.00 33.04 C ATOM 1757 CD PRO A 115 -3.649 19.224 4.373 1.00 33.11 C ATOM 0 HA PRO A 115 -1.515 17.568 2.411 1.00 52.23 H new ATOM 0 HB2 PRO A 115 -3.382 19.078 1.074 1.00 44.02 H new ATOM 0 HB3 PRO A 115 -3.883 17.593 1.857 1.00 44.02 H new ATOM 0 HG2 PRO A 115 -4.327 20.415 2.708 1.00 33.04 H new ATOM 0 HG3 PRO A 115 -5.311 18.998 3.017 1.00 33.04 H new ATOM 0 HD2 PRO A 115 -3.443 20.196 4.822 1.00 33.11 H new ATOM 0 HD3 PRO A 115 -4.300 18.686 5.062 1.00 33.11 H new ATOM 1765 N ARG A 116 -0.076 19.279 1.597 1.00 41.44 N ATOM 1766 CA ARG A 116 0.899 20.254 1.129 1.00 14.21 C ATOM 1767 C ARG A 116 1.213 20.018 -0.332 1.00 22.04 C ATOM 1768 O ARG A 116 1.702 18.937 -0.689 1.00 34.11 O ATOM 1769 CB ARG A 116 2.192 20.161 1.959 1.00 20.24 C ATOM 1770 CG ARG A 116 2.006 20.472 3.431 1.00 70.25 C ATOM 1771 CD ARG A 116 1.574 21.910 3.640 1.00 43.31 C ATOM 1772 NE ARG A 116 1.232 22.169 5.026 1.00 30.14 N ATOM 1773 CZ ARG A 116 1.240 23.352 5.619 1.00 22.52 C ATOM 1774 NH1 ARG A 116 1.688 24.429 4.972 1.00 42.23 N ATOM 1775 NH2 ARG A 116 0.812 23.456 6.866 1.00 61.11 N ATOM 0 H ARG A 116 0.154 18.316 1.354 1.00 41.44 H new ATOM 0 HA ARG A 116 0.474 21.251 1.247 1.00 14.21 H new ATOM 0 HB2 ARG A 116 2.603 19.156 1.860 1.00 20.24 H new ATOM 0 HB3 ARG A 116 2.928 20.849 1.543 1.00 20.24 H new ATOM 0 HG2 ARG A 116 1.260 19.801 3.855 1.00 70.25 H new ATOM 0 HG3 ARG A 116 2.939 20.289 3.964 1.00 70.25 H new ATOM 0 HD2 ARG A 116 2.376 22.580 3.331 1.00 43.31 H new ATOM 0 HD3 ARG A 116 0.715 22.128 3.006 1.00 43.31 H new ATOM 0 HE ARG A 116 0.961 21.367 5.595 1.00 30.14 H new ATOM 0 HH11 ARG A 116 2.027 24.344 4.014 1.00 42.23 H new ATOM 0 HH12 ARG A 116 1.691 25.338 5.435 1.00 42.23 H new ATOM 0 HH21 ARG A 116 0.480 22.629 7.362 1.00 61.11 H new ATOM 0 HH22 ARG A 116 0.814 24.363 7.332 1.00 61.11 H new ATOM 1789 N MET A 117 0.903 21.029 -1.176 1.00 35.43 N ATOM 1790 CA MET A 117 1.168 20.994 -2.631 1.00 2.52 C ATOM 1791 C MET A 117 0.239 19.989 -3.353 1.00 75.03 C ATOM 1792 O MET A 117 -0.256 19.047 -2.749 1.00 0.13 O ATOM 1793 CB MET A 117 2.678 20.700 -2.892 1.00 0.13 C ATOM 1794 CG MET A 117 3.080 20.676 -4.346 1.00 64.14 C ATOM 1795 SD MET A 117 4.842 20.371 -4.618 1.00 2.04 S ATOM 1796 CE MET A 117 5.565 21.800 -3.794 1.00 74.41 C ATOM 0 H MET A 117 0.461 21.894 -0.865 1.00 35.43 H new ATOM 0 HA MET A 117 0.942 21.974 -3.052 1.00 2.52 H new ATOM 0 HB2 MET A 117 3.274 21.454 -2.378 1.00 0.13 H new ATOM 0 HB3 MET A 117 2.928 19.738 -2.445 1.00 0.13 H new ATOM 0 HG2 MET A 117 2.505 19.905 -4.858 1.00 64.14 H new ATOM 0 HG3 MET A 117 2.812 21.629 -4.802 1.00 64.14 H new ATOM 0 HE1 MET A 117 6.414 22.163 -4.373 1.00 74.41 H new ATOM 0 HE2 MET A 117 4.818 22.589 -3.711 1.00 74.41 H new ATOM 0 HE3 MET A 117 5.902 21.514 -2.798 1.00 74.41 H new ATOM 1920 N GLU A 125 -0.949 11.387 -13.533 1.00 20.33 N ATOM 1921 CA GLU A 125 -1.446 12.587 -12.888 1.00 43.14 C ATOM 1922 C GLU A 125 -1.286 13.777 -13.843 1.00 52.14 C ATOM 1923 O GLU A 125 -2.184 14.587 -14.009 1.00 71.24 O ATOM 1924 CB GLU A 125 -0.637 12.825 -11.602 1.00 52.25 C ATOM 1925 CG GLU A 125 -1.056 14.034 -10.785 1.00 32.52 C ATOM 1926 CD GLU A 125 -2.465 13.926 -10.269 1.00 2.21 C ATOM 1927 OE1 GLU A 125 -2.682 13.249 -9.251 1.00 42.55 O ATOM 1928 OE2 GLU A 125 -3.370 14.505 -10.862 1.00 44.43 O ATOM 0 HA GLU A 125 -2.501 12.475 -12.638 1.00 43.14 H new ATOM 0 HB2 GLU A 125 -0.716 11.938 -10.974 1.00 52.25 H new ATOM 0 HB3 GLU A 125 0.414 12.934 -11.869 1.00 52.25 H new ATOM 0 HG2 GLU A 125 -0.373 14.153 -9.944 1.00 32.52 H new ATOM 0 HG3 GLU A 125 -0.966 14.931 -11.398 1.00 32.52 H new ATOM 1935 N TRP A 126 -0.141 13.833 -14.496 1.00 23.44 N ATOM 1936 CA TRP A 126 0.215 14.921 -15.407 1.00 1.01 C ATOM 1937 C TRP A 126 -0.809 15.060 -16.548 1.00 3.21 C ATOM 1938 O TRP A 126 -1.102 16.171 -17.001 1.00 53.23 O ATOM 1939 CB TRP A 126 1.630 14.679 -15.958 1.00 71.40 C ATOM 1940 CG TRP A 126 2.167 15.780 -16.821 1.00 72.52 C ATOM 1941 CD1 TRP A 126 2.184 15.821 -18.183 1.00 45.24 C ATOM 1942 CD2 TRP A 126 2.767 17.000 -16.373 1.00 12.34 C ATOM 1943 NE1 TRP A 126 2.766 16.988 -18.610 1.00 13.15 N ATOM 1944 CE2 TRP A 126 3.129 17.732 -17.518 1.00 20.25 C ATOM 1945 CE3 TRP A 126 3.034 17.546 -15.112 1.00 72.23 C ATOM 1946 CZ2 TRP A 126 3.745 18.981 -17.442 1.00 52.34 C ATOM 1947 CZ3 TRP A 126 3.644 18.783 -15.039 1.00 2.24 C ATOM 1948 CH2 TRP A 126 3.991 19.488 -16.196 1.00 21.04 C ATOM 0 H TRP A 126 0.582 13.118 -14.412 1.00 23.44 H new ATOM 0 HA TRP A 126 0.201 15.860 -14.854 1.00 1.01 H new ATOM 0 HB2 TRP A 126 2.310 14.530 -15.119 1.00 71.40 H new ATOM 0 HB3 TRP A 126 1.627 13.754 -16.534 1.00 71.40 H new ATOM 0 HD1 TRP A 126 1.796 15.049 -18.831 1.00 45.24 H new ATOM 0 HE1 TRP A 126 2.906 17.258 -19.584 1.00 13.15 H new ATOM 0 HE3 TRP A 126 2.768 17.010 -14.213 1.00 72.23 H new ATOM 0 HZ2 TRP A 126 4.017 19.527 -18.333 1.00 52.34 H new ATOM 0 HZ3 TRP A 126 3.857 19.213 -14.072 1.00 2.24 H new ATOM 0 HH2 TRP A 126 4.464 20.455 -16.103 1.00 21.04 H new ATOM 1959 N ARG A 127 -1.370 13.929 -16.971 1.00 52.02 N ATOM 1960 CA ARG A 127 -2.368 13.889 -18.051 1.00 20.33 C ATOM 1961 C ARG A 127 -3.589 14.764 -17.745 1.00 24.23 C ATOM 1962 O ARG A 127 -4.150 15.394 -18.647 1.00 23.04 O ATOM 1963 CB ARG A 127 -2.823 12.449 -18.313 1.00 62.03 C ATOM 1964 CG ARG A 127 -1.708 11.515 -18.747 1.00 44.11 C ATOM 1965 CD ARG A 127 -2.202 10.087 -18.892 1.00 72.13 C ATOM 1966 NE ARG A 127 -3.198 9.941 -19.956 1.00 14.34 N ATOM 1967 CZ ARG A 127 -4.281 9.152 -19.892 1.00 64.12 C ATOM 1968 NH1 ARG A 127 -4.567 8.475 -18.783 1.00 74.03 N ATOM 1969 NH2 ARG A 127 -5.074 9.041 -20.944 1.00 13.51 N ATOM 0 H ARG A 127 -1.150 13.013 -16.579 1.00 52.02 H new ATOM 0 HA ARG A 127 -1.883 14.288 -18.942 1.00 20.33 H new ATOM 0 HB2 ARG A 127 -3.281 12.054 -17.406 1.00 62.03 H new ATOM 0 HB3 ARG A 127 -3.595 12.458 -19.082 1.00 62.03 H new ATOM 0 HG2 ARG A 127 -1.295 11.856 -19.696 1.00 44.11 H new ATOM 0 HG3 ARG A 127 -0.899 11.549 -18.017 1.00 44.11 H new ATOM 0 HD2 ARG A 127 -1.355 9.433 -19.100 1.00 72.13 H new ATOM 0 HD3 ARG A 127 -2.634 9.758 -17.947 1.00 72.13 H new ATOM 0 HE ARG A 127 -3.057 10.480 -20.810 1.00 14.34 H new ATOM 0 HH11 ARG A 127 -3.959 8.552 -17.967 1.00 74.03 H new ATOM 0 HH12 ARG A 127 -5.394 7.879 -18.748 1.00 74.03 H new ATOM 0 HH21 ARG A 127 -4.861 9.554 -21.799 1.00 13.51 H new ATOM 0 HH22 ARG A 127 -5.899 8.442 -20.900 1.00 13.51 H new ATOM 1983 N VAL A 128 -3.997 14.822 -16.481 1.00 34.14 N ATOM 1984 CA VAL A 128 -5.171 15.610 -16.131 1.00 3.14 C ATOM 1985 C VAL A 128 -4.791 17.075 -15.925 1.00 5.41 C ATOM 1986 O VAL A 128 -5.576 17.984 -16.217 1.00 22.42 O ATOM 1987 CB VAL A 128 -5.932 15.065 -14.885 1.00 74.32 C ATOM 1988 CG1 VAL A 128 -6.297 13.600 -15.064 1.00 5.41 C ATOM 1989 CG2 VAL A 128 -5.161 15.278 -13.602 1.00 32.24 C ATOM 0 H VAL A 128 -3.545 14.346 -15.701 1.00 34.14 H new ATOM 0 HA VAL A 128 -5.858 15.527 -16.973 1.00 3.14 H new ATOM 0 HB VAL A 128 -6.854 15.640 -14.801 1.00 74.32 H new ATOM 0 HG11 VAL A 128 -6.827 13.246 -14.180 1.00 5.41 H new ATOM 0 HG12 VAL A 128 -6.937 13.489 -15.939 1.00 5.41 H new ATOM 0 HG13 VAL A 128 -5.389 13.013 -15.202 1.00 5.41 H new ATOM 0 HG21 VAL A 128 -5.733 14.881 -12.763 1.00 32.24 H new ATOM 0 HG22 VAL A 128 -4.203 14.762 -13.664 1.00 32.24 H new ATOM 0 HG23 VAL A 128 -4.990 16.344 -13.453 1.00 32.24 H new ATOM 1999 N VAL A 129 -3.559 17.294 -15.482 1.00 33.04 N ATOM 2000 CA VAL A 129 -3.066 18.630 -15.222 1.00 33.31 C ATOM 2001 C VAL A 129 -2.919 19.376 -16.529 1.00 1.14 C ATOM 2002 O VAL A 129 -3.314 20.525 -16.634 1.00 11.14 O ATOM 2003 CB VAL A 129 -1.706 18.603 -14.474 1.00 61.34 C ATOM 2004 CG1 VAL A 129 -1.207 20.016 -14.191 1.00 74.42 C ATOM 2005 CG2 VAL A 129 -1.831 17.818 -13.181 1.00 43.12 C ATOM 0 H VAL A 129 -2.883 16.554 -15.296 1.00 33.04 H new ATOM 0 HA VAL A 129 -3.787 19.139 -14.582 1.00 33.31 H new ATOM 0 HB VAL A 129 -0.976 18.110 -15.116 1.00 61.34 H new ATOM 0 HG11 VAL A 129 -0.253 19.967 -13.666 1.00 74.42 H new ATOM 0 HG12 VAL A 129 -1.077 20.551 -15.132 1.00 74.42 H new ATOM 0 HG13 VAL A 129 -1.934 20.542 -13.572 1.00 74.42 H new ATOM 0 HG21 VAL A 129 -0.870 17.808 -12.667 1.00 43.12 H new ATOM 0 HG22 VAL A 129 -2.579 18.287 -12.542 1.00 43.12 H new ATOM 0 HG23 VAL A 129 -2.134 16.795 -13.404 1.00 43.12 H new ATOM 2015 N HIS A 130 -2.395 18.683 -17.530 1.00 41.12 N ATOM 2016 CA HIS A 130 -2.196 19.242 -18.870 1.00 44.43 C ATOM 2017 C HIS A 130 -3.513 19.816 -19.422 1.00 24.43 C ATOM 2018 O HIS A 130 -3.526 20.869 -20.043 1.00 52.11 O ATOM 2019 CB HIS A 130 -1.624 18.145 -19.804 1.00 64.34 C ATOM 2020 CG HIS A 130 -1.294 18.570 -21.214 1.00 52.44 C ATOM 2021 ND1 HIS A 130 -0.012 18.806 -21.635 1.00 53.22 N ATOM 2022 CD2 HIS A 130 -2.076 18.741 -22.307 1.00 61.53 C ATOM 2023 CE1 HIS A 130 -0.011 19.098 -22.907 1.00 11.41 C ATOM 2024 NE2 HIS A 130 -1.248 19.068 -23.345 1.00 41.42 N ATOM 0 H HIS A 130 -2.093 17.713 -17.441 1.00 41.12 H new ATOM 0 HA HIS A 130 -1.482 20.064 -18.816 1.00 44.43 H new ATOM 0 HB2 HIS A 130 -0.719 17.745 -19.347 1.00 64.34 H new ATOM 0 HB3 HIS A 130 -2.344 17.328 -19.853 1.00 64.34 H new ATOM 0 HD2 HIS A 130 -3.150 18.638 -22.350 1.00 61.53 H new ATOM 0 HE1 HIS A 130 0.862 19.326 -23.500 1.00 11.41 H new ATOM 0 HE2 HIS A 130 -1.543 19.258 -24.303 1.00 41.42 H new ATOM 2033 N ALA A 131 -4.607 19.141 -19.151 1.00 74.21 N ATOM 2034 CA ALA A 131 -5.902 19.585 -19.629 1.00 43.35 C ATOM 2035 C ALA A 131 -6.347 20.847 -18.913 1.00 2.45 C ATOM 2036 O ALA A 131 -6.718 21.839 -19.559 1.00 51.41 O ATOM 2037 CB ALA A 131 -6.931 18.486 -19.477 1.00 13.00 C ATOM 0 H ALA A 131 -4.629 18.282 -18.602 1.00 74.21 H new ATOM 0 HA ALA A 131 -5.808 19.821 -20.689 1.00 43.35 H new ATOM 0 HB1 ALA A 131 -7.896 18.838 -19.841 1.00 13.00 H new ATOM 0 HB2 ALA A 131 -6.621 17.615 -20.055 1.00 13.00 H new ATOM 0 HB3 ALA A 131 -7.018 18.212 -18.426 1.00 13.00 H new ATOM 2043 N GLU A 132 -6.277 20.837 -17.594 1.00 44.10 N ATOM 2044 CA GLU A 132 -6.721 21.989 -16.822 1.00 62.42 C ATOM 2045 C GLU A 132 -5.801 23.183 -16.997 1.00 33.13 C ATOM 2046 O GLU A 132 -6.247 24.333 -16.951 1.00 15.04 O ATOM 2047 CB GLU A 132 -6.908 21.664 -15.341 1.00 65.44 C ATOM 2048 CG GLU A 132 -8.013 20.663 -15.063 1.00 52.42 C ATOM 2049 CD GLU A 132 -8.324 20.555 -13.588 1.00 21.30 C ATOM 2050 OE1 GLU A 132 -8.882 21.521 -13.029 1.00 15.15 O ATOM 2051 OE2 GLU A 132 -8.067 19.510 -12.974 1.00 62.31 O ATOM 0 H GLU A 132 -5.923 20.058 -17.039 1.00 44.10 H new ATOM 0 HA GLU A 132 -7.698 22.258 -17.223 1.00 62.42 H new ATOM 0 HB2 GLU A 132 -5.971 21.274 -14.944 1.00 65.44 H new ATOM 0 HB3 GLU A 132 -7.123 22.586 -14.802 1.00 65.44 H new ATOM 0 HG2 GLU A 132 -8.913 20.958 -15.602 1.00 52.42 H new ATOM 0 HG3 GLU A 132 -7.720 19.685 -15.444 1.00 52.42 H new ATOM 2058 N LYS A 133 -4.536 22.906 -17.219 1.00 1.24 N ATOM 2059 CA LYS A 133 -3.542 23.933 -17.384 1.00 43.43 C ATOM 2060 C LYS A 133 -3.802 24.675 -18.702 1.00 22.21 C ATOM 2061 O LYS A 133 -3.892 25.896 -18.731 1.00 62.50 O ATOM 2062 CB LYS A 133 -2.138 23.283 -17.379 1.00 52.12 C ATOM 2063 CG LYS A 133 -0.981 24.217 -17.040 1.00 70.35 C ATOM 2064 CD LYS A 133 -0.764 25.317 -18.042 1.00 55.44 C ATOM 2065 CE LYS A 133 0.289 26.262 -17.542 1.00 53.43 C ATOM 2066 NZ LYS A 133 0.528 27.371 -18.475 1.00 64.21 N ATOM 0 H LYS A 133 -4.170 21.957 -17.290 1.00 1.24 H new ATOM 0 HA LYS A 133 -3.594 24.651 -16.566 1.00 43.43 H new ATOM 0 HB2 LYS A 133 -2.140 22.461 -16.663 1.00 52.12 H new ATOM 0 HB3 LYS A 133 -1.955 22.849 -18.362 1.00 52.12 H new ATOM 0 HG2 LYS A 133 -1.163 24.662 -16.062 1.00 70.35 H new ATOM 0 HG3 LYS A 133 -0.066 23.630 -16.958 1.00 70.35 H new ATOM 0 HD2 LYS A 133 -0.460 24.894 -19.000 1.00 55.44 H new ATOM 0 HD3 LYS A 133 -1.697 25.855 -18.212 1.00 55.44 H new ATOM 0 HE2 LYS A 133 -0.014 26.662 -16.575 1.00 53.43 H new ATOM 0 HE3 LYS A 133 1.219 25.716 -17.384 1.00 53.43 H new ATOM 0 HZ1 LYS A 133 1.046 28.130 -17.987 1.00 64.21 H new ATOM 0 HZ2 LYS A 133 1.090 27.031 -19.281 1.00 64.21 H new ATOM 0 HZ3 LYS A 133 -0.382 27.739 -18.818 1.00 64.21 H new ATOM 2080 N PHE A 134 -3.954 23.935 -19.778 1.00 71.43 N ATOM 2081 CA PHE A 134 -4.174 24.549 -21.069 1.00 41.25 C ATOM 2082 C PHE A 134 -5.505 25.265 -21.206 1.00 62.41 C ATOM 2083 O PHE A 134 -5.591 26.244 -21.935 1.00 22.24 O ATOM 2084 CB PHE A 134 -3.861 23.624 -22.246 1.00 12.43 C ATOM 2085 CG PHE A 134 -2.379 23.411 -22.436 1.00 71.30 C ATOM 2086 CD1 PHE A 134 -1.692 22.481 -21.688 1.00 14.01 C ATOM 2087 CD2 PHE A 134 -1.679 24.162 -23.366 1.00 52.12 C ATOM 2088 CE1 PHE A 134 -0.339 22.296 -21.852 1.00 33.41 C ATOM 2089 CE2 PHE A 134 -0.322 23.983 -23.540 1.00 15.10 C ATOM 2090 CZ PHE A 134 0.350 23.048 -22.779 1.00 30.24 C ATOM 0 H PHE A 134 -3.930 22.915 -19.786 1.00 71.43 H new ATOM 0 HA PHE A 134 -3.431 25.345 -21.116 1.00 41.25 H new ATOM 0 HB2 PHE A 134 -4.346 22.661 -22.086 1.00 12.43 H new ATOM 0 HB3 PHE A 134 -4.284 24.046 -23.158 1.00 12.43 H new ATOM 0 HD1 PHE A 134 -2.225 21.887 -20.960 1.00 14.01 H new ATOM 0 HD2 PHE A 134 -2.201 24.896 -23.962 1.00 52.12 H new ATOM 0 HE1 PHE A 134 0.183 21.563 -21.255 1.00 33.41 H new ATOM 0 HE2 PHE A 134 0.213 24.573 -24.270 1.00 15.10 H new ATOM 0 HZ PHE A 134 1.413 22.906 -22.910 1.00 30.24 H new ATOM 2100 N VAL A 135 -6.548 24.801 -20.524 1.00 21.10 N ATOM 2101 CA VAL A 135 -7.821 25.517 -20.599 1.00 54.12 C ATOM 2102 C VAL A 135 -7.727 26.916 -19.930 1.00 74.32 C ATOM 2103 O VAL A 135 -8.213 27.910 -20.492 1.00 42.33 O ATOM 2104 CB VAL A 135 -9.043 24.695 -20.073 1.00 54.45 C ATOM 2105 CG1 VAL A 135 -8.929 24.361 -18.603 1.00 23.41 C ATOM 2106 CG2 VAL A 135 -10.348 25.412 -20.366 1.00 75.42 C ATOM 0 H VAL A 135 -6.544 23.968 -19.936 1.00 21.10 H new ATOM 0 HA VAL A 135 -8.015 25.666 -21.661 1.00 54.12 H new ATOM 0 HB VAL A 135 -9.039 23.748 -20.613 1.00 54.45 H new ATOM 0 HG11 VAL A 135 -9.803 23.790 -18.291 1.00 23.41 H new ATOM 0 HG12 VAL A 135 -8.030 23.769 -18.433 1.00 23.41 H new ATOM 0 HG13 VAL A 135 -8.872 25.283 -18.024 1.00 23.41 H new ATOM 0 HG21 VAL A 135 -11.181 24.819 -19.990 1.00 75.42 H new ATOM 0 HG22 VAL A 135 -10.346 26.386 -19.877 1.00 75.42 H new ATOM 0 HG23 VAL A 135 -10.455 25.547 -21.442 1.00 75.42 H new ATOM 2116 N GLU A 136 -7.060 26.999 -18.767 1.00 64.33 N ATOM 2117 CA GLU A 136 -6.883 28.287 -18.092 1.00 40.03 C ATOM 2118 C GLU A 136 -5.927 29.172 -18.862 1.00 11.41 C ATOM 2119 O GLU A 136 -6.189 30.360 -19.044 1.00 20.23 O ATOM 2120 CB GLU A 136 -6.459 28.138 -16.620 1.00 73.14 C ATOM 2121 CG GLU A 136 -5.223 27.310 -16.418 1.00 54.33 C ATOM 2122 CD GLU A 136 -4.770 27.240 -14.984 1.00 63.23 C ATOM 2123 OE1 GLU A 136 -5.271 26.397 -14.226 1.00 23.03 O ATOM 2124 OE2 GLU A 136 -3.894 28.040 -14.593 1.00 61.35 O ATOM 0 H GLU A 136 -6.643 26.203 -18.285 1.00 64.33 H new ATOM 0 HA GLU A 136 -7.859 28.772 -18.076 1.00 40.03 H new ATOM 0 HB2 GLU A 136 -6.292 29.130 -16.199 1.00 73.14 H new ATOM 0 HB3 GLU A 136 -7.280 27.689 -16.061 1.00 73.14 H new ATOM 0 HG2 GLU A 136 -5.410 26.299 -16.781 1.00 54.33 H new ATOM 0 HG3 GLU A 136 -4.417 27.722 -17.025 1.00 54.33 H new ATOM 2131 N THR A 137 -4.839 28.585 -19.347 1.00 11.01 N ATOM 2132 CA THR A 137 -3.878 29.317 -20.131 1.00 14.50 C ATOM 2133 C THR A 137 -4.525 29.872 -21.402 1.00 53.24 C ATOM 2134 O THR A 137 -4.306 31.017 -21.746 1.00 75.32 O ATOM 2135 CB THR A 137 -2.650 28.445 -20.463 1.00 61.10 C ATOM 2136 OG1 THR A 137 -2.021 28.053 -19.234 1.00 23.11 O ATOM 2137 CG2 THR A 137 -1.641 29.197 -21.323 1.00 62.11 C ATOM 0 H THR A 137 -4.609 27.601 -19.205 1.00 11.01 H new ATOM 0 HA THR A 137 -3.529 30.161 -19.536 1.00 14.50 H new ATOM 0 HB THR A 137 -2.987 27.574 -21.025 1.00 61.10 H new ATOM 0 HG1 THR A 137 -2.026 28.808 -18.609 1.00 23.11 H new ATOM 0 HG21 THR A 137 -0.790 28.550 -21.536 1.00 62.11 H new ATOM 0 HG22 THR A 137 -2.112 29.496 -22.259 1.00 62.11 H new ATOM 0 HG23 THR A 137 -1.298 30.084 -20.790 1.00 62.11 H new ATOM 2145 N PHE A 138 -5.364 29.066 -22.061 1.00 24.14 N ATOM 2146 CA PHE A 138 -6.056 29.503 -23.267 1.00 30.22 C ATOM 2147 C PHE A 138 -6.880 30.748 -22.973 1.00 24.42 C ATOM 2148 O PHE A 138 -6.764 31.757 -23.665 1.00 22.52 O ATOM 2149 CB PHE A 138 -6.964 28.383 -23.797 1.00 14.34 C ATOM 2150 CG PHE A 138 -7.717 28.731 -25.050 1.00 70.41 C ATOM 2151 CD1 PHE A 138 -7.087 28.699 -26.281 1.00 33.23 C ATOM 2152 CD2 PHE A 138 -9.057 29.084 -24.993 1.00 52.01 C ATOM 2153 CE1 PHE A 138 -7.778 29.014 -27.435 1.00 43.42 C ATOM 2154 CE2 PHE A 138 -9.755 29.400 -26.142 1.00 31.04 C ATOM 2155 CZ PHE A 138 -9.113 29.365 -27.365 1.00 32.12 C ATOM 0 H PHE A 138 -5.577 28.110 -21.776 1.00 24.14 H new ATOM 0 HA PHE A 138 -5.314 29.741 -24.029 1.00 30.22 H new ATOM 0 HB2 PHE A 138 -6.355 27.499 -23.988 1.00 14.34 H new ATOM 0 HB3 PHE A 138 -7.680 28.115 -23.020 1.00 14.34 H new ATOM 0 HD1 PHE A 138 -6.044 28.425 -26.341 1.00 33.23 H new ATOM 0 HD2 PHE A 138 -9.561 29.112 -24.038 1.00 52.01 H new ATOM 0 HE1 PHE A 138 -7.276 28.986 -28.391 1.00 43.42 H new ATOM 0 HE2 PHE A 138 -10.798 29.673 -26.085 1.00 31.04 H new ATOM 0 HZ PHE A 138 -9.654 29.612 -28.266 1.00 32.12 H new ATOM 2165 N ARG A 139 -7.672 30.682 -21.917 1.00 55.03 N ATOM 2166 CA ARG A 139 -8.505 31.796 -21.520 1.00 52.14 C ATOM 2167 C ARG A 139 -7.659 33.023 -21.193 1.00 24.44 C ATOM 2168 O ARG A 139 -7.943 34.126 -21.675 1.00 0.52 O ATOM 2169 CB ARG A 139 -9.405 31.417 -20.342 1.00 74.13 C ATOM 2170 CG ARG A 139 -10.443 30.355 -20.673 1.00 12.45 C ATOM 2171 CD ARG A 139 -11.253 29.958 -19.448 1.00 12.25 C ATOM 2172 NE ARG A 139 -12.321 28.996 -19.777 1.00 22.20 N ATOM 2173 CZ ARG A 139 -12.771 28.031 -18.957 1.00 4.30 C ATOM 2174 NH1 ARG A 139 -12.184 27.820 -17.776 1.00 73.44 N ATOM 2175 NH2 ARG A 139 -13.794 27.265 -19.331 1.00 4.44 N ATOM 0 H ARG A 139 -7.753 29.861 -21.317 1.00 55.03 H new ATOM 0 HA ARG A 139 -9.148 32.050 -22.362 1.00 52.14 H new ATOM 0 HB2 ARG A 139 -8.782 31.058 -19.523 1.00 74.13 H new ATOM 0 HB3 ARG A 139 -9.916 32.312 -19.986 1.00 74.13 H new ATOM 0 HG2 ARG A 139 -11.113 30.730 -21.446 1.00 12.45 H new ATOM 0 HG3 ARG A 139 -9.946 29.475 -21.081 1.00 12.45 H new ATOM 0 HD2 ARG A 139 -10.590 29.521 -18.701 1.00 12.25 H new ATOM 0 HD3 ARG A 139 -11.694 30.849 -19.001 1.00 12.25 H new ATOM 0 HE ARG A 139 -12.752 29.069 -20.699 1.00 22.20 H new ATOM 0 HH11 ARG A 139 -11.389 28.393 -17.492 1.00 73.44 H new ATOM 0 HH12 ARG A 139 -12.530 27.086 -17.158 1.00 73.44 H new ATOM 0 HH21 ARG A 139 -14.235 27.411 -20.239 1.00 4.44 H new ATOM 0 HH22 ARG A 139 -14.136 26.532 -18.710 1.00 4.44 H new ATOM 2189 N LYS A 140 -6.600 32.823 -20.416 1.00 22.11 N ATOM 2190 CA LYS A 140 -5.707 33.920 -20.035 1.00 60.12 C ATOM 2191 C LYS A 140 -4.953 34.506 -21.230 1.00 13.41 C ATOM 2192 O LYS A 140 -4.665 35.702 -21.254 1.00 40.32 O ATOM 2193 CB LYS A 140 -4.723 33.504 -18.943 1.00 24.44 C ATOM 2194 CG LYS A 140 -5.382 33.072 -17.636 1.00 74.43 C ATOM 2195 CD LYS A 140 -6.264 34.177 -17.060 1.00 11.41 C ATOM 2196 CE LYS A 140 -6.925 33.751 -15.763 1.00 74.11 C ATOM 2197 NZ LYS A 140 -5.940 33.453 -14.703 1.00 64.41 N ATOM 0 H LYS A 140 -6.336 31.914 -20.036 1.00 22.11 H new ATOM 0 HA LYS A 140 -6.353 34.702 -19.635 1.00 60.12 H new ATOM 0 HB2 LYS A 140 -4.110 32.683 -19.316 1.00 24.44 H new ATOM 0 HB3 LYS A 140 -4.051 34.337 -18.739 1.00 24.44 H new ATOM 0 HG2 LYS A 140 -5.983 32.179 -17.808 1.00 74.43 H new ATOM 0 HG3 LYS A 140 -4.613 32.804 -16.911 1.00 74.43 H new ATOM 0 HD2 LYS A 140 -5.662 35.069 -16.885 1.00 11.41 H new ATOM 0 HD3 LYS A 140 -7.030 34.447 -17.787 1.00 11.41 H new ATOM 0 HE2 LYS A 140 -7.594 34.541 -15.422 1.00 74.11 H new ATOM 0 HE3 LYS A 140 -7.539 32.869 -15.944 1.00 74.11 H new ATOM 0 HZ1 LYS A 140 -6.431 33.349 -13.792 1.00 64.41 H new ATOM 0 HZ2 LYS A 140 -5.442 32.569 -14.931 1.00 64.41 H new ATOM 0 HZ3 LYS A 140 -5.253 34.231 -14.639 1.00 64.41 H new ATOM 2211 N MET A 141 -4.626 33.676 -22.211 1.00 34.01 N ATOM 2212 CA MET A 141 -3.957 34.160 -23.404 1.00 52.33 C ATOM 2213 C MET A 141 -4.863 35.105 -24.179 1.00 63.13 C ATOM 2214 O MET A 141 -4.403 36.083 -24.742 1.00 50.11 O ATOM 2215 CB MET A 141 -3.445 33.015 -24.292 1.00 44.20 C ATOM 2216 CG MET A 141 -2.329 32.190 -23.663 1.00 71.33 C ATOM 2217 SD MET A 141 -1.773 30.832 -24.715 1.00 41.53 S ATOM 2218 CE MET A 141 -1.153 31.744 -26.128 1.00 50.31 C ATOM 0 H MET A 141 -4.812 32.673 -22.202 1.00 34.01 H new ATOM 0 HA MET A 141 -3.077 34.717 -23.082 1.00 52.33 H new ATOM 0 HB2 MET A 141 -4.279 32.355 -24.532 1.00 44.20 H new ATOM 0 HB3 MET A 141 -3.087 33.432 -25.233 1.00 44.20 H new ATOM 0 HG2 MET A 141 -1.483 32.841 -23.444 1.00 71.33 H new ATOM 0 HG3 MET A 141 -2.676 31.786 -22.712 1.00 71.33 H new ATOM 0 HE1 MET A 141 -0.469 31.114 -26.696 1.00 50.31 H new ATOM 0 HE2 MET A 141 -1.987 32.040 -26.764 1.00 50.31 H new ATOM 0 HE3 MET A 141 -0.625 32.634 -25.784 1.00 50.31 H new ATOM 2228 N LEU A 142 -6.157 34.816 -24.190 1.00 1.10 N ATOM 2229 CA LEU A 142 -7.122 35.716 -24.802 1.00 21.22 C ATOM 2230 C LEU A 142 -7.294 36.982 -23.997 1.00 72.13 C ATOM 2231 O LEU A 142 -7.461 38.054 -24.564 1.00 31.21 O ATOM 2232 CB LEU A 142 -8.471 35.048 -25.095 1.00 55.44 C ATOM 2233 CG LEU A 142 -8.558 34.205 -26.383 1.00 1.31 C ATOM 2234 CD1 LEU A 142 -8.251 35.050 -27.609 1.00 72.15 C ATOM 2235 CD2 LEU A 142 -7.667 32.976 -26.342 1.00 42.34 C ATOM 0 H LEU A 142 -6.560 33.971 -23.785 1.00 1.10 H new ATOM 0 HA LEU A 142 -6.703 35.990 -25.770 1.00 21.22 H new ATOM 0 HB2 LEU A 142 -8.724 34.407 -24.251 1.00 55.44 H new ATOM 0 HB3 LEU A 142 -9.233 35.826 -25.145 1.00 55.44 H new ATOM 0 HG LEU A 142 -9.586 33.848 -26.451 1.00 1.31 H new ATOM 0 HD11 LEU A 142 -8.319 34.431 -28.504 1.00 72.15 H new ATOM 0 HD12 LEU A 142 -8.969 35.867 -27.677 1.00 72.15 H new ATOM 0 HD13 LEU A 142 -7.244 35.459 -27.526 1.00 72.15 H new ATOM 0 HD21 LEU A 142 -7.769 32.421 -27.275 1.00 42.34 H new ATOM 0 HD22 LEU A 142 -6.629 33.283 -26.215 1.00 42.34 H new ATOM 0 HD23 LEU A 142 -7.962 32.340 -25.507 1.00 42.34 H new ATOM 2247 N GLU A 143 -7.229 36.865 -22.682 1.00 1.34 N ATOM 2248 CA GLU A 143 -7.310 38.034 -21.808 1.00 63.02 C ATOM 2249 C GLU A 143 -6.129 38.955 -22.079 1.00 42.41 C ATOM 2250 O GLU A 143 -6.285 40.161 -22.225 1.00 52.45 O ATOM 2251 CB GLU A 143 -7.301 37.620 -20.336 1.00 12.13 C ATOM 2252 CG GLU A 143 -8.439 36.704 -19.931 1.00 55.15 C ATOM 2253 CD GLU A 143 -9.792 37.310 -20.170 1.00 2.01 C ATOM 2254 OE1 GLU A 143 -10.241 38.121 -19.350 1.00 62.45 O ATOM 2255 OE2 GLU A 143 -10.444 36.972 -21.177 1.00 51.20 O ATOM 0 H GLU A 143 -7.121 35.977 -22.192 1.00 1.34 H new ATOM 0 HA GLU A 143 -8.245 38.554 -22.017 1.00 63.02 H new ATOM 0 HB2 GLU A 143 -6.356 37.122 -20.118 1.00 12.13 H new ATOM 0 HB3 GLU A 143 -7.338 38.518 -19.719 1.00 12.13 H new ATOM 0 HG2 GLU A 143 -8.362 35.770 -20.487 1.00 55.15 H new ATOM 0 HG3 GLU A 143 -8.340 36.455 -18.874 1.00 55.15 H new ATOM 2262 N TRP A 144 -4.960 38.355 -22.181 1.00 12.42 N ATOM 2263 CA TRP A 144 -3.726 39.070 -22.427 1.00 73.20 C ATOM 2264 C TRP A 144 -3.681 39.601 -23.871 1.00 34.35 C ATOM 2265 O TRP A 144 -3.055 40.623 -24.155 1.00 53.41 O ATOM 2266 CB TRP A 144 -2.542 38.146 -22.126 1.00 51.51 C ATOM 2267 CG TRP A 144 -1.202 38.796 -22.217 1.00 40.12 C ATOM 2268 CD1 TRP A 144 -0.651 39.645 -21.310 1.00 41.32 C ATOM 2269 CD2 TRP A 144 -0.232 38.631 -23.254 1.00 64.30 C ATOM 2270 NE1 TRP A 144 0.591 40.035 -21.723 1.00 32.01 N ATOM 2271 CE2 TRP A 144 0.878 39.427 -22.913 1.00 41.51 C ATOM 2272 CE3 TRP A 144 -0.195 37.896 -24.441 1.00 23.34 C ATOM 2273 CZ2 TRP A 144 2.013 39.505 -23.714 1.00 33.04 C ATOM 2274 CZ3 TRP A 144 0.931 37.972 -25.235 1.00 51.01 C ATOM 2275 CH2 TRP A 144 2.020 38.772 -24.868 1.00 13.44 C ATOM 0 H TRP A 144 -4.840 37.346 -22.094 1.00 12.42 H new ATOM 0 HA TRP A 144 -3.668 39.937 -21.768 1.00 73.20 H new ATOM 0 HB2 TRP A 144 -2.664 37.737 -21.123 1.00 51.51 H new ATOM 0 HB3 TRP A 144 -2.570 37.305 -22.819 1.00 51.51 H new ATOM 0 HD1 TRP A 144 -1.127 39.965 -20.395 1.00 41.32 H new ATOM 0 HE1 TRP A 144 1.206 40.677 -21.223 1.00 32.01 H new ATOM 0 HE3 TRP A 144 -1.032 37.279 -24.732 1.00 23.34 H new ATOM 0 HZ2 TRP A 144 2.855 40.120 -23.435 1.00 33.04 H new ATOM 0 HZ3 TRP A 144 0.973 37.406 -26.154 1.00 51.01 H new ATOM 0 HH2 TRP A 144 2.886 38.811 -25.512 1.00 13.44 H new ATOM 2286 N ASN A 145 -4.341 38.901 -24.774 1.00 42.52 N ATOM 2287 CA ASN A 145 -4.414 39.332 -26.168 1.00 64.24 C ATOM 2288 C ASN A 145 -5.329 40.553 -26.285 1.00 13.15 C ATOM 2289 O ASN A 145 -5.093 41.456 -27.092 1.00 32.33 O ATOM 2290 CB ASN A 145 -4.916 38.184 -27.065 1.00 65.51 C ATOM 2291 CG ASN A 145 -4.931 38.538 -28.547 1.00 13.11 C ATOM 2292 OD1 ASN A 145 -3.936 38.348 -29.253 1.00 13.40 O ATOM 2293 ND2 ASN A 145 -6.045 39.012 -29.036 1.00 11.14 N ATOM 0 H ASN A 145 -4.836 38.032 -24.573 1.00 42.52 H new ATOM 0 HA ASN A 145 -3.415 39.609 -26.506 1.00 64.24 H new ATOM 0 HB2 ASN A 145 -4.282 37.310 -26.914 1.00 65.51 H new ATOM 0 HB3 ASN A 145 -5.923 37.904 -26.755 1.00 65.51 H new ATOM 0 HD21 ASN A 145 -6.111 39.237 -30.029 1.00 11.14 H new ATOM 0 HD22 ASN A 145 -6.849 39.157 -28.425 1.00 11.14 H new ATOM 2300 N LYS A 146 -6.363 40.582 -25.457 1.00 1.14 N ATOM 2301 CA LYS A 146 -7.286 41.714 -25.428 1.00 75.43 C ATOM 2302 C LYS A 146 -6.688 42.874 -24.645 1.00 11.00 C ATOM 2303 O LYS A 146 -6.932 44.040 -24.960 1.00 62.13 O ATOM 2304 CB LYS A 146 -8.624 41.305 -24.793 1.00 14.22 C ATOM 2305 CG LYS A 146 -9.430 40.298 -25.607 1.00 21.31 C ATOM 2306 CD LYS A 146 -10.709 39.873 -24.895 1.00 23.43 C ATOM 2307 CE LYS A 146 -10.410 39.101 -23.623 1.00 2.40 C ATOM 2308 NZ LYS A 146 -11.634 38.675 -22.920 1.00 33.53 N ATOM 0 H LYS A 146 -6.586 39.838 -24.796 1.00 1.14 H new ATOM 0 HA LYS A 146 -7.460 42.030 -26.457 1.00 75.43 H new ATOM 0 HB2 LYS A 146 -8.430 40.883 -23.807 1.00 14.22 H new ATOM 0 HB3 LYS A 146 -9.229 42.199 -24.644 1.00 14.22 H new ATOM 0 HG2 LYS A 146 -9.682 40.734 -26.574 1.00 21.31 H new ATOM 0 HG3 LYS A 146 -8.817 39.419 -25.804 1.00 21.31 H new ATOM 0 HD2 LYS A 146 -11.303 40.755 -24.655 1.00 23.43 H new ATOM 0 HD3 LYS A 146 -11.310 39.256 -25.563 1.00 23.43 H new ATOM 0 HE2 LYS A 146 -9.811 38.224 -23.867 1.00 2.40 H new ATOM 0 HE3 LYS A 146 -9.810 39.722 -22.958 1.00 2.40 H new ATOM 0 HZ1 LYS A 146 -11.376 38.138 -22.068 1.00 33.53 H new ATOM 0 HZ2 LYS A 146 -12.187 39.513 -22.647 1.00 33.53 H new ATOM 0 HZ3 LYS A 146 -12.204 38.074 -23.549 1.00 33.53 H new ATOM 2322 N ASN A 147 -5.899 42.558 -23.650 1.00 4.20 N ATOM 2323 CA ASN A 147 -5.247 43.563 -22.833 1.00 73.13 C ATOM 2324 C ASN A 147 -3.920 43.039 -22.321 1.00 43.50 C ATOM 2325 O ASN A 147 -3.886 42.107 -21.514 1.00 45.31 O ATOM 2326 CB ASN A 147 -6.151 43.978 -21.656 1.00 74.22 C ATOM 2327 CG ASN A 147 -5.509 45.011 -20.726 1.00 24.23 C ATOM 2328 OD1 ASN A 147 -4.664 45.816 -21.141 1.00 12.25 O ATOM 2329 ND2 ASN A 147 -5.910 45.003 -19.481 1.00 11.55 N ATOM 0 H ASN A 147 -5.687 41.598 -23.379 1.00 4.20 H new ATOM 0 HA ASN A 147 -5.063 44.443 -23.449 1.00 73.13 H new ATOM 0 HB2 ASN A 147 -7.082 44.385 -22.050 1.00 74.22 H new ATOM 0 HB3 ASN A 147 -6.410 43.091 -21.077 1.00 74.22 H new ATOM 0 HD21 ASN A 147 -5.525 45.675 -18.817 1.00 11.55 H new ATOM 0 HD22 ASN A 147 -6.608 44.325 -19.174 1.00 11.55 H new ATOM 2336 N PRO A 148 -2.795 43.623 -22.787 1.00 24.11 N ATOM 2337 CA PRO A 148 -1.442 43.209 -22.360 1.00 60.40 C ATOM 2338 C PRO A 148 -1.237 43.403 -20.858 1.00 32.22 C ATOM 2339 O PRO A 148 -0.418 42.736 -20.235 1.00 45.22 O ATOM 2340 CB PRO A 148 -0.509 44.148 -23.141 1.00 73.13 C ATOM 2341 CG PRO A 148 -1.331 44.656 -24.275 1.00 34.15 C ATOM 2342 CD PRO A 148 -2.742 44.719 -23.774 1.00 72.42 C ATOM 0 HA PRO A 148 -1.261 42.152 -22.553 1.00 60.40 H new ATOM 0 HB2 PRO A 148 -0.156 44.966 -22.512 1.00 73.13 H new ATOM 0 HB3 PRO A 148 0.373 43.618 -23.500 1.00 73.13 H new ATOM 0 HG2 PRO A 148 -0.987 45.640 -24.595 1.00 34.15 H new ATOM 0 HG3 PRO A 148 -1.254 43.995 -25.138 1.00 34.15 H new ATOM 0 HD2 PRO A 148 -2.965 45.684 -23.318 1.00 72.42 H new ATOM 0 HD3 PRO A 148 -3.463 44.572 -24.579 1.00 72.42 H new ATOM 2350 N ASN A 149 -2.013 44.297 -20.284 1.00 51.21 N ATOM 2351 CA ASN A 149 -1.933 44.592 -18.862 1.00 10.44 C ATOM 2352 C ASN A 149 -2.938 43.746 -18.091 1.00 21.12 C ATOM 2353 O ASN A 149 -3.149 43.945 -16.896 1.00 22.13 O ATOM 2354 CB ASN A 149 -2.207 46.081 -18.603 1.00 34.50 C ATOM 2355 CG ASN A 149 -1.245 46.996 -19.330 1.00 75.33 C ATOM 2356 OD1 ASN A 149 -1.498 47.416 -20.459 1.00 22.20 O ATOM 2357 ND2 ASN A 149 -0.138 47.301 -18.708 1.00 21.22 N ATOM 0 H ASN A 149 -2.716 44.840 -20.784 1.00 51.21 H new ATOM 0 HA ASN A 149 -0.926 44.354 -18.520 1.00 10.44 H new ATOM 0 HB2 ASN A 149 -3.226 46.316 -18.911 1.00 34.50 H new ATOM 0 HB3 ASN A 149 -2.145 46.275 -17.532 1.00 34.50 H new ATOM 0 HD21 ASN A 149 0.550 47.905 -19.158 1.00 21.22 H new ATOM 0 HD22 ASN A 149 0.039 46.935 -17.773 1.00 21.22 H new ATOM 2364 N GLY A 150 -3.547 42.790 -18.788 1.00 53.12 N ATOM 2365 CA GLY A 150 -4.540 41.931 -18.190 1.00 41.43 C ATOM 2366 C GLY A 150 -3.953 40.987 -17.169 1.00 11.22 C ATOM 2367 O GLY A 150 -4.628 40.598 -16.208 1.00 32.33 O ATOM 0 H GLY A 150 -3.362 42.598 -19.772 1.00 53.12 H new ATOM 0 HA2 GLY A 150 -5.306 42.544 -17.715 1.00 41.43 H new ATOM 0 HA3 GLY A 150 -5.033 41.353 -18.972 1.00 41.43 H new