USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.92) USER MOD Single : A 12 SER OG : rot 76:sc= 1.22 USER MOD Single : A 13 TYR OH : rot 54:sc= 0.88 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0537) USER MOD Single : A 19 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 24 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.34) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.533 F(o=-2.3,f=-0.53) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 54 SER OG : rot 36:sc= 0.0067 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.621 K(o=0.62,f=0) USER MOD Single : A 74 SER OG : rot 74:sc= 0.896 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.9!) USER MOD Single : B 204 MET CE :methyl -110:sc= 0 (180deg=-0.0202) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 35.180 44.514 39.768 1.00 0.00 N ATOM 53 CA VAL A 5 35.496 43.328 40.501 1.00 0.00 C ATOM 54 C VAL A 5 35.276 42.089 39.703 1.00 0.00 C ATOM 55 O VAL A 5 36.184 41.289 39.483 1.00 0.00 O ATOM 56 CB VAL A 5 34.666 43.285 41.749 1.00 0.00 C ATOM 57 CG1 VAL A 5 34.985 42.023 42.569 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.942 44.560 42.563 1.00 0.00 C ATOM 0 HA VAL A 5 36.557 43.363 40.749 1.00 0.00 H new ATOM 0 HB VAL A 5 33.608 43.243 41.490 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.373 42.010 43.471 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.770 41.137 41.972 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.039 42.026 42.847 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.346 44.545 43.475 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.000 44.605 42.822 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.676 45.435 41.970 1.00 0.00 H new ATOM 68 N GLU A 6 34.050 41.890 39.186 1.00 0.00 N ATOM 69 CA GLU A 6 33.716 40.703 38.463 1.00 0.00 C ATOM 70 C GLU A 6 34.269 40.658 37.080 1.00 0.00 C ATOM 71 O GLU A 6 34.471 39.582 36.518 1.00 0.00 O ATOM 72 CB GLU A 6 32.217 40.360 38.511 1.00 0.00 C ATOM 73 CG GLU A 6 31.897 39.606 39.803 1.00 0.00 C ATOM 74 CD GLU A 6 30.433 39.209 39.935 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.536 40.051 39.667 1.00 0.00 O ATOM 76 OE2 GLU A 6 30.158 38.056 40.360 1.00 0.00 O ATOM 0 H GLU A 6 33.284 42.558 39.270 1.00 0.00 H new ATOM 0 HA GLU A 6 34.226 39.906 39.003 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.624 41.273 38.456 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.946 39.752 37.648 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.513 38.708 39.851 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.173 40.228 40.654 1.00 0.00 H new ATOM 83 N PHE A 7 34.660 41.822 36.530 1.00 0.00 N ATOM 84 CA PHE A 7 35.544 41.856 35.406 1.00 0.00 C ATOM 85 C PHE A 7 36.837 41.183 35.714 1.00 0.00 C ATOM 86 O PHE A 7 37.274 40.307 34.970 1.00 0.00 O ATOM 87 CB PHE A 7 35.867 43.293 34.963 1.00 0.00 C ATOM 88 CG PHE A 7 34.825 43.851 34.055 1.00 0.00 C ATOM 89 CD1 PHE A 7 34.628 43.266 32.826 1.00 0.00 C ATOM 90 CD2 PHE A 7 34.133 44.995 34.376 1.00 0.00 C ATOM 91 CE1 PHE A 7 33.773 43.843 31.917 1.00 0.00 C ATOM 92 CE2 PHE A 7 33.264 45.565 33.476 1.00 0.00 C ATOM 93 CZ PHE A 7 33.085 44.988 32.241 1.00 0.00 C ATOM 0 H PHE A 7 34.364 42.739 36.864 1.00 0.00 H new ATOM 0 HA PHE A 7 35.021 41.334 34.605 1.00 0.00 H new ATOM 0 HB2 PHE A 7 35.959 43.930 35.842 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.832 43.307 34.457 1.00 0.00 H new ATOM 0 HD1 PHE A 7 35.146 42.352 32.575 1.00 0.00 H new ATOM 0 HD2 PHE A 7 34.274 45.450 35.345 1.00 0.00 H new ATOM 0 HE1 PHE A 7 33.641 43.394 30.943 1.00 0.00 H new ATOM 0 HE2 PHE A 7 32.724 46.463 33.738 1.00 0.00 H new ATOM 0 HZ PHE A 7 32.406 45.433 31.528 1.00 0.00 H new ATOM 103 N ASN A 8 37.470 41.506 36.856 1.00 0.00 N ATOM 104 CA ASN A 8 38.778 41.068 37.234 1.00 0.00 C ATOM 105 C ASN A 8 38.777 39.633 37.637 1.00 0.00 C ATOM 106 O ASN A 8 39.739 38.904 37.403 1.00 0.00 O ATOM 107 CB ASN A 8 39.294 41.972 38.367 1.00 0.00 C ATOM 108 CG ASN A 8 40.812 42.080 38.338 1.00 0.00 C ATOM 109 OD1 ASN A 8 41.544 41.157 38.693 1.00 0.00 O ATOM 110 ND2 ASN A 8 41.322 43.252 37.875 1.00 0.00 N ATOM 0 H ASN A 8 37.042 42.110 37.558 1.00 0.00 H new ATOM 0 HA ASN A 8 39.447 41.148 36.377 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.854 42.965 38.272 1.00 0.00 H new ATOM 0 HB3 ASN A 8 38.974 41.572 39.329 1.00 0.00 H new ATOM 0 HD21 ASN A 8 42.332 43.381 37.816 1.00 0.00 H new ATOM 0 HD22 ASN A 8 40.695 44.003 37.587 1.00 0.00 H new ATOM 117 N ASN A 9 37.656 39.144 38.195 1.00 0.00 N ATOM 118 CA ASN A 9 37.404 37.761 38.459 1.00 0.00 C ATOM 119 C ASN A 9 37.349 36.952 37.209 1.00 0.00 C ATOM 120 O ASN A 9 37.774 35.798 37.182 1.00 0.00 O ATOM 121 CB ASN A 9 36.085 37.547 39.218 1.00 0.00 C ATOM 122 CG ASN A 9 36.134 38.169 40.606 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.176 38.577 41.116 1.00 0.00 O ATOM 124 ND2 ASN A 9 34.948 38.231 41.269 1.00 0.00 N ATOM 0 H ASN A 9 36.883 39.747 38.477 1.00 0.00 H new ATOM 0 HA ASN A 9 38.240 37.430 39.075 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.263 37.984 38.651 1.00 0.00 H new ATOM 0 HB3 ASN A 9 35.882 36.479 39.303 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.910 38.622 42.210 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.097 37.886 40.825 1.00 0.00 H new ATOM 131 N ALA A 10 36.857 37.549 36.108 1.00 0.00 N ATOM 132 CA ALA A 10 36.939 37.003 34.789 1.00 0.00 C ATOM 133 C ALA A 10 38.337 37.006 34.275 1.00 0.00 C ATOM 134 O ALA A 10 38.852 35.948 33.916 1.00 0.00 O ATOM 135 CB ALA A 10 35.941 37.676 33.831 1.00 0.00 C ATOM 0 H ALA A 10 36.382 38.451 36.139 1.00 0.00 H new ATOM 0 HA ALA A 10 36.643 35.956 34.847 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.034 37.234 32.839 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.926 37.529 34.200 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.155 38.743 33.774 1.00 0.00 H new ATOM 141 N ILE A 11 39.043 38.151 34.276 1.00 0.00 N ATOM 142 CA ILE A 11 40.386 38.328 33.817 1.00 0.00 C ATOM 143 C ILE A 11 41.352 37.334 34.366 1.00 0.00 C ATOM 144 O ILE A 11 42.121 36.690 33.655 1.00 0.00 O ATOM 145 CB ILE A 11 40.956 39.672 34.164 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.091 40.864 33.719 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.316 39.914 33.486 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.460 40.699 32.337 1.00 0.00 C ATOM 0 H ILE A 11 38.641 39.021 34.626 1.00 0.00 H new ATOM 0 HA ILE A 11 40.282 38.205 32.739 1.00 0.00 H new ATOM 0 HB ILE A 11 41.022 39.631 35.251 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.299 41.017 34.452 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.705 41.765 33.720 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.692 40.899 33.765 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.024 39.151 33.808 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.197 39.864 32.404 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.867 41.582 32.100 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.245 40.578 31.591 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.817 39.819 32.333 1.00 0.00 H new ATOM 160 N SER A 12 41.295 37.181 35.701 1.00 0.00 N ATOM 161 CA SER A 12 42.105 36.298 36.483 1.00 0.00 C ATOM 162 C SER A 12 41.974 34.862 36.111 1.00 0.00 C ATOM 163 O SER A 12 42.936 34.102 36.205 1.00 0.00 O ATOM 164 CB SER A 12 41.795 36.417 37.985 1.00 0.00 C ATOM 165 OG SER A 12 41.987 37.754 38.424 1.00 0.00 O ATOM 0 H SER A 12 40.637 37.711 36.273 1.00 0.00 H new ATOM 0 HA SER A 12 43.124 36.619 36.268 1.00 0.00 H new ATOM 0 HB2 SER A 12 40.767 36.108 38.177 1.00 0.00 H new ATOM 0 HB3 SER A 12 42.440 35.745 38.551 1.00 0.00 H new ATOM 0 HG SER A 12 41.237 38.308 38.123 1.00 0.00 H new ATOM 171 N TYR A 13 40.786 34.450 35.634 1.00 0.00 N ATOM 172 CA TYR A 13 40.522 33.131 35.147 1.00 0.00 C ATOM 173 C TYR A 13 41.164 32.921 33.819 1.00 0.00 C ATOM 174 O TYR A 13 41.908 31.959 33.630 1.00 0.00 O ATOM 175 CB TYR A 13 38.999 32.931 35.062 1.00 0.00 C ATOM 176 CG TYR A 13 38.575 31.537 34.749 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.129 30.438 35.361 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.574 31.358 33.823 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.663 29.176 35.083 1.00 0.00 C ATOM 180 CE2 TYR A 13 37.123 30.097 33.512 1.00 0.00 C ATOM 181 CZ TYR A 13 37.660 29.008 34.157 1.00 0.00 C ATOM 182 OH TYR A 13 37.213 27.706 33.845 1.00 0.00 O ATOM 0 H TYR A 13 39.973 35.064 35.586 1.00 0.00 H new ATOM 0 HA TYR A 13 40.945 32.396 35.832 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.553 33.229 36.011 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.600 33.599 34.299 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.937 30.568 36.066 1.00 0.00 H new ATOM 0 HD2 TYR A 13 37.138 32.217 33.335 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.082 28.319 35.589 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.353 29.963 32.767 1.00 0.00 H new ATOM 0 HH TYR A 13 36.965 27.239 34.670 1.00 0.00 H new ATOM 192 N VAL A 14 40.951 33.833 32.855 1.00 0.00 N ATOM 193 CA VAL A 14 41.535 33.797 31.550 1.00 0.00 C ATOM 194 C VAL A 14 43.024 33.771 31.587 1.00 0.00 C ATOM 195 O VAL A 14 43.662 32.941 30.941 1.00 0.00 O ATOM 196 CB VAL A 14 41.078 34.935 30.685 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.313 34.561 29.211 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.567 35.174 30.837 1.00 0.00 C ATOM 0 H VAL A 14 40.339 34.638 32.993 1.00 0.00 H new ATOM 0 HA VAL A 14 41.185 32.863 31.110 1.00 0.00 H new ATOM 0 HB VAL A 14 41.631 35.826 30.983 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.985 35.380 28.571 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.375 34.376 29.047 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.746 33.662 28.969 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.264 36.004 30.199 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.025 34.275 30.544 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.339 35.413 31.876 1.00 0.00 H new ATOM 208 N ASN A 15 43.659 34.637 32.397 1.00 0.00 N ATOM 209 CA ASN A 15 45.063 34.574 32.658 1.00 0.00 C ATOM 210 C ASN A 15 45.580 33.290 33.211 1.00 0.00 C ATOM 211 O ASN A 15 46.640 32.815 32.808 1.00 0.00 O ATOM 212 CB ASN A 15 45.478 35.751 33.555 1.00 0.00 C ATOM 213 CG ASN A 15 46.983 35.967 33.609 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.625 36.340 32.628 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.581 35.722 34.806 1.00 0.00 N ATOM 0 H ASN A 15 43.185 35.399 32.882 1.00 0.00 H new ATOM 0 HA ASN A 15 45.528 34.640 31.675 1.00 0.00 H new ATOM 0 HB2 ASN A 15 45.000 36.661 33.192 1.00 0.00 H new ATOM 0 HB3 ASN A 15 45.107 35.577 34.565 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.588 35.847 34.908 1.00 0.00 H new ATOM 0 HD22 ASN A 15 47.022 35.414 35.602 1.00 0.00 H new ATOM 222 N LYS A 16 44.878 32.626 34.146 1.00 0.00 N ATOM 223 CA LYS A 16 45.225 31.340 34.666 1.00 0.00 C ATOM 224 C LYS A 16 45.214 30.264 33.635 1.00 0.00 C ATOM 225 O LYS A 16 46.136 29.458 33.535 1.00 0.00 O ATOM 226 CB LYS A 16 44.242 30.993 35.797 1.00 0.00 C ATOM 227 CG LYS A 16 44.722 29.837 36.675 1.00 0.00 C ATOM 228 CD LYS A 16 43.709 29.486 37.767 1.00 0.00 C ATOM 229 CE LYS A 16 44.212 28.407 38.728 1.00 0.00 C ATOM 230 NZ LYS A 16 43.175 28.119 39.745 1.00 0.00 N ATOM 0 H LYS A 16 44.026 33.005 34.560 1.00 0.00 H new ATOM 0 HA LYS A 16 46.249 31.396 35.035 1.00 0.00 H new ATOM 0 HB2 LYS A 16 44.088 31.874 36.419 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.275 30.735 35.364 1.00 0.00 H new ATOM 0 HG2 LYS A 16 44.903 28.960 36.053 1.00 0.00 H new ATOM 0 HG3 LYS A 16 45.674 30.103 37.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.469 30.385 38.334 1.00 0.00 H new ATOM 0 HD3 LYS A 16 42.784 29.146 37.301 1.00 0.00 H new ATOM 0 HE2 LYS A 16 44.455 27.499 38.175 1.00 0.00 H new ATOM 0 HE3 LYS A 16 45.129 28.739 39.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 43.521 27.385 40.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.964 28.985 40.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.310 27.784 39.274 1.00 0.00 H new ATOM 244 N ILE A 17 44.176 30.259 32.779 1.00 0.00 N ATOM 245 CA ILE A 17 44.016 29.424 31.630 1.00 0.00 C ATOM 246 C ILE A 17 45.127 29.605 30.653 1.00 0.00 C ATOM 247 O ILE A 17 45.762 28.634 30.243 1.00 0.00 O ATOM 248 CB ILE A 17 42.671 29.698 31.024 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.573 29.186 31.971 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.526 29.069 29.628 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.158 29.555 31.530 1.00 0.00 C ATOM 0 H ILE A 17 43.385 30.891 32.903 1.00 0.00 H new ATOM 0 HA ILE A 17 44.062 28.377 31.931 1.00 0.00 H new ATOM 0 HB ILE A 17 42.568 30.775 30.893 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.649 28.101 32.047 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.749 29.589 32.968 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.537 29.293 29.229 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.287 29.478 28.964 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.651 27.989 29.701 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.439 29.160 32.247 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.063 30.640 31.481 1.00 0.00 H new ATOM 0 HD13 ILE A 17 39.961 29.129 30.546 1.00 0.00 H new ATOM 263 N LYS A 18 45.452 30.856 30.282 1.00 0.00 N ATOM 264 CA LYS A 18 46.558 31.201 29.445 1.00 0.00 C ATOM 265 C LYS A 18 47.864 30.691 29.951 1.00 0.00 C ATOM 266 O LYS A 18 48.631 30.109 29.185 1.00 0.00 O ATOM 267 CB LYS A 18 46.655 32.722 29.237 1.00 0.00 C ATOM 268 CG LYS A 18 45.545 33.260 28.331 1.00 0.00 C ATOM 269 CD LYS A 18 45.408 34.784 28.327 1.00 0.00 C ATOM 270 CE LYS A 18 46.182 35.516 27.230 1.00 0.00 C ATOM 271 NZ LYS A 18 47.635 35.573 27.508 1.00 0.00 N ATOM 0 H LYS A 18 44.914 31.669 30.582 1.00 0.00 H new ATOM 0 HA LYS A 18 46.358 30.712 28.492 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.605 33.222 30.204 1.00 0.00 H new ATOM 0 HB3 LYS A 18 47.625 32.965 28.802 1.00 0.00 H new ATOM 0 HG2 LYS A 18 45.731 32.922 27.311 1.00 0.00 H new ATOM 0 HG3 LYS A 18 44.596 32.824 28.643 1.00 0.00 H new ATOM 0 HD2 LYS A 18 44.352 35.035 28.230 1.00 0.00 H new ATOM 0 HD3 LYS A 18 45.739 35.163 29.294 1.00 0.00 H new ATOM 0 HE2 LYS A 18 46.017 35.015 26.276 1.00 0.00 H new ATOM 0 HE3 LYS A 18 45.794 36.530 27.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.100 36.178 26.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 47.792 35.967 28.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 48.035 34.614 27.460 1.00 0.00 H new ATOM 285 N THR A 19 48.145 30.827 31.259 1.00 0.00 N ATOM 286 CA THR A 19 49.319 30.309 31.893 1.00 0.00 C ATOM 287 C THR A 19 49.506 28.837 31.751 1.00 0.00 C ATOM 288 O THR A 19 50.599 28.349 31.474 1.00 0.00 O ATOM 289 CB THR A 19 49.371 30.630 33.356 1.00 0.00 C ATOM 290 OG1 THR A 19 49.154 32.009 33.614 1.00 0.00 O ATOM 291 CG2 THR A 19 50.785 30.338 33.886 1.00 0.00 C ATOM 0 H THR A 19 47.527 31.320 31.904 1.00 0.00 H new ATOM 0 HA THR A 19 50.125 30.811 31.358 1.00 0.00 H new ATOM 0 HB THR A 19 48.596 30.029 33.832 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.225 32.239 33.404 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.830 30.570 34.950 1.00 0.00 H new ATOM 0 HG22 THR A 19 51.020 29.285 33.734 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.508 30.953 33.350 1.00 0.00 H new ATOM 299 N ARG A 20 48.448 28.021 31.910 1.00 0.00 N ATOM 300 CA ARG A 20 48.532 26.615 31.662 1.00 0.00 C ATOM 301 C ARG A 20 48.735 26.276 30.225 1.00 0.00 C ATOM 302 O ARG A 20 49.619 25.503 29.856 1.00 0.00 O ATOM 303 CB ARG A 20 47.259 25.920 32.174 1.00 0.00 C ATOM 304 CG ARG A 20 47.051 26.005 33.687 1.00 0.00 C ATOM 305 CD ARG A 20 47.990 25.122 34.511 1.00 0.00 C ATOM 306 NE ARG A 20 49.307 25.788 34.721 1.00 0.00 N ATOM 307 CZ ARG A 20 49.552 26.806 35.597 1.00 0.00 C ATOM 308 NH1 ARG A 20 48.611 27.327 36.437 1.00 0.00 N ATOM 309 NH2 ARG A 20 50.831 27.275 35.682 1.00 0.00 N ATOM 0 H ARG A 20 47.527 28.339 32.213 1.00 0.00 H new ATOM 0 HA ARG A 20 49.411 26.259 32.199 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.395 26.361 31.677 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.292 24.870 31.884 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.180 27.041 34.000 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.021 25.729 33.915 1.00 0.00 H new ATOM 0 HD2 ARG A 20 47.533 24.901 35.476 1.00 0.00 H new ATOM 0 HD3 ARG A 20 48.138 24.169 34.002 1.00 0.00 H new ATOM 0 HE ARG A 20 50.092 25.455 34.162 1.00 0.00 H new ATOM 0 HH11 ARG A 20 47.661 26.955 36.433 1.00 0.00 H new ATOM 0 HH12 ARG A 20 48.857 28.089 37.069 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.564 26.866 35.103 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.054 28.035 36.325 1.00 0.00 H new ATOM 323 N PHE A 21 47.928 26.872 29.330 1.00 0.00 N ATOM 324 CA PHE A 21 47.964 26.592 27.928 1.00 0.00 C ATOM 325 C PHE A 21 48.909 27.450 27.160 1.00 0.00 C ATOM 326 O PHE A 21 48.638 27.875 26.037 1.00 0.00 O ATOM 327 CB PHE A 21 46.547 26.620 27.331 1.00 0.00 C ATOM 328 CG PHE A 21 45.678 25.657 28.064 1.00 0.00 C ATOM 329 CD1 PHE A 21 45.960 24.312 28.098 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.595 26.124 28.771 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.181 23.445 28.829 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.825 25.275 29.531 1.00 0.00 C ATOM 333 CZ PHE A 21 44.116 23.931 29.549 1.00 0.00 C ATOM 0 H PHE A 21 47.230 27.569 29.589 1.00 0.00 H new ATOM 0 HA PHE A 21 48.363 25.582 27.830 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.132 27.626 27.400 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.582 26.361 26.273 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.805 23.931 27.543 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.345 27.174 28.729 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.405 22.389 28.837 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.998 25.661 30.109 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.506 23.256 30.131 1.00 0.00 H new ATOM 343 N LEU A 22 50.125 27.659 27.694 1.00 0.00 N ATOM 344 CA LEU A 22 51.236 28.243 27.009 1.00 0.00 C ATOM 345 C LEU A 22 51.894 27.254 26.110 1.00 0.00 C ATOM 346 O LEU A 22 52.425 27.568 25.046 1.00 0.00 O ATOM 347 CB LEU A 22 52.332 28.758 27.958 1.00 0.00 C ATOM 348 CG LEU A 22 51.825 29.910 28.841 1.00 0.00 C ATOM 349 CD1 LEU A 22 52.892 30.211 29.907 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.465 31.197 28.078 1.00 0.00 C ATOM 0 H LEU A 22 50.345 27.406 28.657 1.00 0.00 H new ATOM 0 HA LEU A 22 50.809 29.077 26.452 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.679 27.941 28.590 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.189 29.096 27.375 1.00 0.00 H new ATOM 0 HG LEU A 22 50.889 29.575 29.288 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.550 31.027 30.544 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.060 29.322 30.515 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.823 30.498 29.419 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.118 31.953 28.783 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.346 31.568 27.554 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.676 30.984 27.357 1.00 0.00 H new ATOM 362 N ASP A 23 51.856 25.985 26.555 1.00 0.00 N ATOM 363 CA ASP A 23 52.346 24.849 25.838 1.00 0.00 C ATOM 364 C ASP A 23 51.381 24.444 24.778 1.00 0.00 C ATOM 365 O ASP A 23 51.702 23.711 23.844 1.00 0.00 O ATOM 366 CB ASP A 23 52.564 23.747 26.888 1.00 0.00 C ATOM 367 CG ASP A 23 53.796 22.895 26.620 1.00 0.00 C ATOM 368 OD1 ASP A 23 53.840 22.164 25.595 1.00 0.00 O ATOM 369 OD2 ASP A 23 54.722 22.913 27.474 1.00 0.00 O ATOM 0 H ASP A 23 51.462 25.739 27.463 1.00 0.00 H new ATOM 0 HA ASP A 23 53.280 25.063 25.318 1.00 0.00 H new ATOM 0 HB2 ASP A 23 52.655 24.206 27.872 1.00 0.00 H new ATOM 0 HB3 ASP A 23 51.685 23.103 26.917 1.00 0.00 H new ATOM 374 N HIS A 24 50.126 24.922 24.858 1.00 0.00 N ATOM 375 CA HIS A 24 49.078 24.505 23.980 1.00 0.00 C ATOM 376 C HIS A 24 48.242 25.660 23.543 1.00 0.00 C ATOM 377 O HIS A 24 47.085 25.744 23.952 1.00 0.00 O ATOM 378 CB HIS A 24 48.240 23.400 24.642 1.00 0.00 C ATOM 379 CG HIS A 24 49.030 22.143 24.854 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.491 21.731 26.078 1.00 0.00 N ATOM 381 CD2 HIS A 24 49.520 21.264 23.939 1.00 0.00 C ATOM 382 CE1 HIS A 24 50.228 20.648 25.917 1.00 0.00 C ATOM 383 NE2 HIS A 24 50.267 20.348 24.632 1.00 0.00 N ATOM 0 H HIS A 24 49.834 25.614 25.548 1.00 0.00 H new ATOM 0 HA HIS A 24 49.525 24.088 23.078 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.863 23.757 25.601 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.372 23.182 24.020 1.00 0.00 H new ATOM 0 HD2 HIS A 24 49.353 21.284 22.872 1.00 0.00 H new ATOM 0 HE1 HIS A 24 50.718 20.098 26.706 1.00 0.00 H new ATOM 0 HE2 HIS A 24 50.771 19.562 24.222 1.00 0.00 H new ATOM 392 N PRO A 25 48.688 26.549 22.706 1.00 0.00 N ATOM 393 CA PRO A 25 47.978 27.754 22.390 1.00 0.00 C ATOM 394 C PRO A 25 46.800 27.513 21.508 1.00 0.00 C ATOM 395 O PRO A 25 45.945 28.385 21.364 1.00 0.00 O ATOM 396 CB PRO A 25 49.010 28.619 21.672 1.00 0.00 C ATOM 397 CG PRO A 25 49.924 27.593 20.983 1.00 0.00 C ATOM 398 CD PRO A 25 49.979 26.479 22.041 1.00 0.00 C ATOM 0 HA PRO A 25 47.571 28.218 23.288 1.00 0.00 H new ATOM 0 HB2 PRO A 25 48.541 29.287 20.950 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.565 29.245 22.371 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.509 27.242 20.038 1.00 0.00 H new ATOM 0 HG3 PRO A 25 50.911 28.002 20.765 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.138 25.503 21.583 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.797 26.638 22.743 1.00 0.00 H new ATOM 406 N GLU A 26 46.693 26.309 20.917 1.00 0.00 N ATOM 407 CA GLU A 26 45.585 25.872 20.124 1.00 0.00 C ATOM 408 C GLU A 26 44.369 25.633 20.951 1.00 0.00 C ATOM 409 O GLU A 26 43.251 25.622 20.440 1.00 0.00 O ATOM 410 CB GLU A 26 45.957 24.675 19.235 1.00 0.00 C ATOM 411 CG GLU A 26 46.312 23.377 19.966 1.00 0.00 C ATOM 412 CD GLU A 26 46.594 22.260 18.972 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.613 22.339 18.236 1.00 0.00 O ATOM 414 OE2 GLU A 26 45.807 21.277 18.929 1.00 0.00 O ATOM 0 H GLU A 26 47.422 25.600 20.998 1.00 0.00 H new ATOM 0 HA GLU A 26 45.328 26.684 19.444 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.122 24.473 18.564 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.805 24.961 18.612 1.00 0.00 H new ATOM 0 HG2 GLU A 26 47.185 23.537 20.598 1.00 0.00 H new ATOM 0 HG3 GLU A 26 45.492 23.088 20.623 1.00 0.00 H new ATOM 421 N ILE A 27 44.528 25.467 22.276 1.00 0.00 N ATOM 422 CA ILE A 27 43.452 25.432 23.217 1.00 0.00 C ATOM 423 C ILE A 27 42.861 26.798 23.289 1.00 0.00 C ATOM 424 O ILE A 27 41.660 26.969 23.087 1.00 0.00 O ATOM 425 CB ILE A 27 43.801 25.038 24.622 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.648 23.768 24.820 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.477 24.785 25.361 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.716 22.822 23.623 1.00 0.00 C ATOM 0 H ILE A 27 45.444 25.352 22.710 1.00 0.00 H new ATOM 0 HA ILE A 27 42.781 24.658 22.844 1.00 0.00 H new ATOM 0 HB ILE A 27 44.415 25.859 24.991 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.663 24.068 25.080 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.250 23.217 25.672 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.685 24.495 26.391 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.877 25.695 25.355 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.929 23.986 24.862 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.338 21.963 23.873 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.712 22.482 23.371 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.147 23.345 22.770 1.00 0.00 H new ATOM 440 N TYR A 28 43.688 27.832 23.527 1.00 0.00 N ATOM 441 CA TYR A 28 43.260 29.185 23.714 1.00 0.00 C ATOM 442 C TYR A 28 42.572 29.772 22.531 1.00 0.00 C ATOM 443 O TYR A 28 41.709 30.639 22.659 1.00 0.00 O ATOM 444 CB TYR A 28 44.452 30.035 24.185 1.00 0.00 C ATOM 445 CG TYR A 28 43.977 31.317 24.778 1.00 0.00 C ATOM 446 CD1 TYR A 28 43.267 31.314 25.955 1.00 0.00 C ATOM 447 CD2 TYR A 28 44.165 32.503 24.107 1.00 0.00 C ATOM 448 CE1 TYR A 28 42.716 32.477 26.438 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.630 33.673 24.591 1.00 0.00 C ATOM 450 CZ TYR A 28 42.900 33.656 25.757 1.00 0.00 C ATOM 451 OH TYR A 28 42.337 34.850 26.257 1.00 0.00 O ATOM 0 H TYR A 28 44.700 27.720 23.592 1.00 0.00 H new ATOM 0 HA TYR A 28 42.494 29.183 24.489 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.033 29.480 24.921 1.00 0.00 H new ATOM 0 HB3 TYR A 28 45.115 30.240 23.344 1.00 0.00 H new ATOM 0 HD1 TYR A 28 43.141 30.392 26.504 1.00 0.00 H new ATOM 0 HD2 TYR A 28 44.738 32.515 23.192 1.00 0.00 H new ATOM 0 HE1 TYR A 28 42.139 32.464 27.351 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.782 34.600 24.059 1.00 0.00 H new ATOM 0 HH TYR A 28 42.561 35.593 25.658 1.00 0.00 H new ATOM 461 N ARG A 29 42.870 29.279 21.316 1.00 0.00 N ATOM 462 CA ARG A 29 42.089 29.509 20.141 1.00 0.00 C ATOM 463 C ARG A 29 40.713 28.942 20.219 1.00 0.00 C ATOM 464 O ARG A 29 39.726 29.669 20.128 1.00 0.00 O ATOM 465 CB ARG A 29 42.828 28.910 18.933 1.00 0.00 C ATOM 466 CG ARG A 29 43.772 29.823 18.148 1.00 0.00 C ATOM 467 CD ARG A 29 44.809 30.649 18.912 1.00 0.00 C ATOM 468 NE ARG A 29 44.271 32.032 19.056 1.00 0.00 N ATOM 469 CZ ARG A 29 44.303 32.988 18.082 1.00 0.00 C ATOM 470 NH1 ARG A 29 44.947 32.811 16.892 1.00 0.00 N ATOM 471 NH2 ARG A 29 43.645 34.166 18.287 1.00 0.00 N ATOM 0 H ARG A 29 43.689 28.696 21.145 1.00 0.00 H new ATOM 0 HA ARG A 29 41.969 30.587 20.038 1.00 0.00 H new ATOM 0 HB2 ARG A 29 43.405 28.055 19.284 1.00 0.00 H new ATOM 0 HB3 ARG A 29 42.080 28.527 18.239 1.00 0.00 H new ATOM 0 HG2 ARG A 29 44.309 29.203 17.430 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.158 30.516 17.573 1.00 0.00 H new ATOM 0 HD2 ARG A 29 45.002 30.210 19.891 1.00 0.00 H new ATOM 0 HD3 ARG A 29 45.758 30.662 18.376 1.00 0.00 H new ATOM 0 HE ARG A 29 43.847 32.283 19.949 1.00 0.00 H new ATOM 0 HH11 ARG A 29 45.432 31.935 16.700 1.00 0.00 H new ATOM 0 HH12 ARG A 29 44.943 33.555 16.194 1.00 0.00 H new ATOM 0 HH21 ARG A 29 43.139 34.322 19.159 1.00 0.00 H new ATOM 0 HH22 ARG A 29 43.660 34.890 17.569 1.00 0.00 H new ATOM 485 N SER A 30 40.566 27.617 20.395 1.00 0.00 N ATOM 486 CA SER A 30 39.311 26.941 20.280 1.00 0.00 C ATOM 487 C SER A 30 38.438 27.038 21.482 1.00 0.00 C ATOM 488 O SER A 30 37.215 26.975 21.365 1.00 0.00 O ATOM 489 CB SER A 30 39.480 25.462 19.891 1.00 0.00 C ATOM 490 OG SER A 30 40.086 25.368 18.610 1.00 0.00 O ATOM 0 H SER A 30 41.343 26.997 20.624 1.00 0.00 H new ATOM 0 HA SER A 30 38.804 27.476 19.477 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.093 24.949 20.632 1.00 0.00 H new ATOM 0 HB3 SER A 30 38.510 24.966 19.882 1.00 0.00 H new ATOM 0 HG SER A 30 40.193 24.425 18.367 1.00 0.00 H new ATOM 496 N PHE A 31 39.016 27.255 22.677 1.00 0.00 N ATOM 497 CA PHE A 31 38.380 27.550 23.924 1.00 0.00 C ATOM 498 C PHE A 31 37.330 28.603 23.828 1.00 0.00 C ATOM 499 O PHE A 31 36.161 28.412 24.158 1.00 0.00 O ATOM 500 CB PHE A 31 39.508 27.974 24.881 1.00 0.00 C ATOM 501 CG PHE A 31 39.132 28.580 26.189 1.00 0.00 C ATOM 502 CD1 PHE A 31 38.107 28.056 26.941 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.808 29.683 26.654 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.720 28.661 28.115 1.00 0.00 C ATOM 505 CE2 PHE A 31 39.434 30.292 27.829 1.00 0.00 C ATOM 506 CZ PHE A 31 38.386 29.779 28.558 1.00 0.00 C ATOM 0 H PHE A 31 40.030 27.220 22.777 1.00 0.00 H new ATOM 0 HA PHE A 31 37.844 26.670 24.280 1.00 0.00 H new ATOM 0 HB2 PHE A 31 40.119 27.095 25.085 1.00 0.00 H new ATOM 0 HB3 PHE A 31 40.141 28.687 24.354 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.601 27.162 26.607 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.642 30.075 26.091 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.896 28.259 28.686 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.960 31.168 28.178 1.00 0.00 H new ATOM 0 HZ PHE A 31 38.086 30.255 29.480 1.00 0.00 H new ATOM 516 N LEU A 32 37.717 29.792 23.332 1.00 0.00 N ATOM 517 CA LEU A 32 36.860 30.932 23.231 1.00 0.00 C ATOM 518 C LEU A 32 35.851 30.762 22.148 1.00 0.00 C ATOM 519 O LEU A 32 34.715 31.224 22.251 1.00 0.00 O ATOM 520 CB LEU A 32 37.620 32.214 22.854 1.00 0.00 C ATOM 521 CG LEU A 32 39.030 32.314 23.459 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.861 33.253 22.569 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.994 32.727 24.941 1.00 0.00 C ATOM 0 H LEU A 32 38.662 29.966 22.989 1.00 0.00 H new ATOM 0 HA LEU A 32 36.404 31.017 24.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.698 32.270 21.768 1.00 0.00 H new ATOM 0 HB3 LEU A 32 37.037 33.076 23.177 1.00 0.00 H new ATOM 0 HG LEU A 32 39.511 31.336 23.470 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.868 33.343 22.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.912 32.846 21.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.392 34.237 22.541 1.00 0.00 H new ATOM 0 HD21 LEU A 32 40.012 32.785 25.327 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.514 33.701 25.036 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.431 31.988 25.511 1.00 0.00 H new ATOM 535 N GLU A 33 36.245 30.102 21.044 1.00 0.00 N ATOM 536 CA GLU A 33 35.361 29.685 20.001 1.00 0.00 C ATOM 537 C GLU A 33 34.141 28.939 20.419 1.00 0.00 C ATOM 538 O GLU A 33 33.041 29.226 19.952 1.00 0.00 O ATOM 539 CB GLU A 33 36.115 28.982 18.859 1.00 0.00 C ATOM 540 CG GLU A 33 35.326 29.193 17.565 1.00 0.00 C ATOM 541 CD GLU A 33 36.024 28.864 16.253 1.00 0.00 C ATOM 542 OE1 GLU A 33 37.127 28.254 16.224 1.00 0.00 O ATOM 543 OE2 GLU A 33 35.449 29.278 15.212 1.00 0.00 O ATOM 0 H GLU A 33 37.218 29.849 20.872 1.00 0.00 H new ATOM 0 HA GLU A 33 34.953 30.623 19.624 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.122 29.388 18.761 1.00 0.00 H new ATOM 0 HB3 GLU A 33 36.220 27.918 19.071 1.00 0.00 H new ATOM 0 HG2 GLU A 33 34.419 28.592 17.623 1.00 0.00 H new ATOM 0 HG3 GLU A 33 35.015 30.237 17.528 1.00 0.00 H new ATOM 550 N ILE A 34 34.248 28.014 21.391 1.00 0.00 N ATOM 551 CA ILE A 34 33.148 27.389 22.055 1.00 0.00 C ATOM 552 C ILE A 34 32.271 28.378 22.743 1.00 0.00 C ATOM 553 O ILE A 34 31.058 28.377 22.537 1.00 0.00 O ATOM 554 CB ILE A 34 33.659 26.303 22.956 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.312 25.183 22.129 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.519 25.728 23.815 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.184 24.246 22.963 1.00 0.00 C ATOM 0 H ILE A 34 35.152 27.686 21.731 1.00 0.00 H new ATOM 0 HA ILE A 34 32.500 26.921 21.314 1.00 0.00 H new ATOM 0 HB ILE A 34 34.409 26.735 23.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.532 24.601 21.638 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.920 25.629 21.342 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.911 24.942 24.461 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.090 26.521 24.428 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.748 25.313 23.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.614 23.479 22.318 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.985 24.817 23.433 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.576 23.773 23.734 1.00 0.00 H new ATOM 569 N LEU A 35 32.806 29.328 23.531 1.00 0.00 N ATOM 570 CA LEU A 35 32.007 30.349 24.133 1.00 0.00 C ATOM 571 C LEU A 35 31.360 31.285 23.170 1.00 0.00 C ATOM 572 O LEU A 35 30.198 31.652 23.338 1.00 0.00 O ATOM 573 CB LEU A 35 32.785 31.158 25.184 1.00 0.00 C ATOM 574 CG LEU A 35 33.808 30.389 26.038 1.00 0.00 C ATOM 575 CD1 LEU A 35 34.093 31.279 27.259 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.395 29.048 26.668 1.00 0.00 C ATOM 0 H LEU A 35 33.800 29.388 23.752 1.00 0.00 H new ATOM 0 HA LEU A 35 31.207 29.791 24.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.309 31.964 24.671 1.00 0.00 H new ATOM 0 HB3 LEU A 35 32.064 31.623 25.856 1.00 0.00 H new ATOM 0 HG LEU A 35 34.614 30.166 25.339 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.817 30.786 27.908 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.497 32.235 26.926 1.00 0.00 H new ATOM 0 HD13 LEU A 35 33.168 31.448 27.810 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.231 28.640 27.236 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.546 29.205 27.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 33.114 28.348 25.881 1.00 0.00 H new ATOM 588 N HIS A 36 32.066 31.675 22.094 1.00 0.00 N ATOM 589 CA HIS A 36 31.592 32.445 20.985 1.00 0.00 C ATOM 590 C HIS A 36 30.401 31.833 20.332 1.00 0.00 C ATOM 591 O HIS A 36 29.450 32.535 19.996 1.00 0.00 O ATOM 592 CB HIS A 36 32.625 32.645 19.864 1.00 0.00 C ATOM 593 CG HIS A 36 33.828 33.475 20.201 1.00 0.00 C ATOM 594 ND1 HIS A 36 35.149 33.244 19.974 1.00 0.00 N flip ATOM 595 CD2 HIS A 36 33.731 34.769 20.643 1.00 0.00 C flip ATOM 596 CE1 HIS A 36 35.813 34.399 20.292 1.00 0.00 C flip ATOM 597 NE2 HIS A 36 34.937 35.302 20.690 1.00 0.00 N flip ATOM 0 H HIS A 36 33.051 31.431 21.992 1.00 0.00 H new ATOM 0 HA HIS A 36 31.353 33.404 21.445 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.969 31.663 19.538 1.00 0.00 H new ATOM 0 HB3 HIS A 36 32.121 33.105 19.014 1.00 0.00 H new ATOM 0 HD2 HIS A 36 32.813 35.272 20.910 1.00 0.00 H new ATOM 0 HE1 HIS A 36 36.881 34.547 20.227 1.00 0.00 H new ATOM 0 HE2 HIS A 36 35.156 36.254 20.985 1.00 0.00 H new ATOM 606 N THR A 37 30.375 30.498 20.168 1.00 0.00 N ATOM 607 CA THR A 37 29.272 29.738 19.666 1.00 0.00 C ATOM 608 C THR A 37 27.974 30.016 20.342 1.00 0.00 C ATOM 609 O THR A 37 26.923 30.051 19.704 1.00 0.00 O ATOM 610 CB THR A 37 29.629 28.282 19.606 1.00 0.00 C ATOM 611 OG1 THR A 37 29.735 27.826 18.265 1.00 0.00 O ATOM 612 CG2 THR A 37 28.674 27.326 20.341 1.00 0.00 C ATOM 0 H THR A 37 31.177 29.912 20.401 1.00 0.00 H new ATOM 0 HA THR A 37 29.088 30.075 18.646 1.00 0.00 H new ATOM 0 HB THR A 37 30.586 28.248 20.126 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.970 26.875 18.261 1.00 0.00 H new ATOM 0 HG21 THR A 37 29.029 26.301 20.231 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.641 27.587 21.399 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.674 27.411 19.915 1.00 0.00 H new ATOM 620 N TYR A 38 27.982 30.285 21.659 1.00 0.00 N ATOM 621 CA TYR A 38 26.877 30.845 22.374 1.00 0.00 C ATOM 622 C TYR A 38 26.782 32.328 22.260 1.00 0.00 C ATOM 623 O TYR A 38 25.742 32.875 21.896 1.00 0.00 O ATOM 624 CB TYR A 38 26.874 30.246 23.791 1.00 0.00 C ATOM 625 CG TYR A 38 26.497 31.082 24.964 1.00 0.00 C ATOM 626 CD1 TYR A 38 27.466 31.862 25.551 1.00 0.00 C ATOM 627 CD2 TYR A 38 25.244 31.005 25.525 1.00 0.00 C ATOM 628 CE1 TYR A 38 27.144 32.665 26.621 1.00 0.00 C ATOM 629 CE2 TYR A 38 24.938 31.770 26.626 1.00 0.00 C ATOM 630 CZ TYR A 38 25.882 32.612 27.165 1.00 0.00 C ATOM 631 OH TYR A 38 25.639 33.410 28.302 1.00 0.00 O ATOM 0 H TYR A 38 28.793 30.105 22.251 1.00 0.00 H new ATOM 0 HA TYR A 38 25.932 30.559 21.913 1.00 0.00 H new ATOM 0 HB2 TYR A 38 26.200 29.389 23.777 1.00 0.00 H new ATOM 0 HB3 TYR A 38 27.876 29.860 23.979 1.00 0.00 H new ATOM 0 HD1 TYR A 38 28.477 31.844 25.173 1.00 0.00 H new ATOM 0 HD2 TYR A 38 24.501 30.345 25.102 1.00 0.00 H new ATOM 0 HE1 TYR A 38 27.882 33.337 27.034 1.00 0.00 H new ATOM 0 HE2 TYR A 38 23.954 31.709 27.068 1.00 0.00 H new ATOM 0 HH TYR A 38 24.712 33.289 28.595 1.00 0.00 H new ATOM 641 N GLN A 39 27.867 33.054 22.582 1.00 0.00 N ATOM 642 CA GLN A 39 27.871 34.472 22.769 1.00 0.00 C ATOM 643 C GLN A 39 27.578 35.308 21.571 1.00 0.00 C ATOM 644 O GLN A 39 26.978 36.374 21.695 1.00 0.00 O ATOM 645 CB GLN A 39 29.230 34.819 23.401 1.00 0.00 C ATOM 646 CG GLN A 39 29.201 35.968 24.411 1.00 0.00 C ATOM 647 CD GLN A 39 29.472 37.331 23.792 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.523 37.567 23.198 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.512 38.281 23.956 1.00 0.00 N ATOM 0 H GLN A 39 28.786 32.632 22.719 1.00 0.00 H new ATOM 0 HA GLN A 39 27.029 34.724 23.414 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.621 33.930 23.896 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.929 35.073 22.605 1.00 0.00 H new ATOM 0 HG2 GLN A 39 28.226 35.987 24.899 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.942 35.777 25.187 1.00 0.00 H new ATOM 0 HE21 GLN A 39 27.651 38.055 24.453 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.654 39.219 23.582 1.00 0.00 H new ATOM 898 N SER A 54 23.072 25.294 25.276 1.00 0.00 N ATOM 899 CA SER A 54 23.222 25.083 26.682 1.00 0.00 C ATOM 900 C SER A 54 24.505 25.618 27.219 1.00 0.00 C ATOM 901 O SER A 54 25.595 25.315 26.736 1.00 0.00 O ATOM 902 CB SER A 54 23.160 23.606 27.107 1.00 0.00 C ATOM 903 OG SER A 54 21.914 23.011 26.777 1.00 0.00 O ATOM 0 HA SER A 54 22.370 25.623 27.095 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.965 23.055 26.622 1.00 0.00 H new ATOM 0 HB3 SER A 54 23.325 23.530 28.182 1.00 0.00 H new ATOM 0 HG SER A 54 21.595 23.371 25.923 1.00 0.00 H new ATOM 909 N GLU A 55 24.424 26.392 28.316 1.00 0.00 N ATOM 910 CA GLU A 55 25.527 26.825 29.117 1.00 0.00 C ATOM 911 C GLU A 55 26.264 25.684 29.728 1.00 0.00 C ATOM 912 O GLU A 55 27.454 25.759 30.028 1.00 0.00 O ATOM 913 CB GLU A 55 25.090 27.897 30.131 1.00 0.00 C ATOM 914 CG GLU A 55 23.861 27.615 30.997 1.00 0.00 C ATOM 915 CD GLU A 55 22.554 28.086 30.378 1.00 0.00 C ATOM 916 OE1 GLU A 55 22.153 27.516 29.328 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.893 29.006 30.930 1.00 0.00 O ATOM 0 H GLU A 55 23.530 26.737 28.665 1.00 0.00 H new ATOM 0 HA GLU A 55 26.251 27.306 28.459 1.00 0.00 H new ATOM 0 HB2 GLU A 55 25.931 28.087 30.798 1.00 0.00 H new ATOM 0 HB3 GLU A 55 24.905 28.820 29.581 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.798 26.543 31.184 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.990 28.101 31.964 1.00 0.00 H new ATOM 924 N GLU A 56 25.607 24.512 29.808 1.00 0.00 N ATOM 925 CA GLU A 56 26.210 23.233 30.018 1.00 0.00 C ATOM 926 C GLU A 56 27.160 22.777 28.965 1.00 0.00 C ATOM 927 O GLU A 56 28.166 22.144 29.281 1.00 0.00 O ATOM 928 CB GLU A 56 25.125 22.147 30.116 1.00 0.00 C ATOM 929 CG GLU A 56 24.063 22.371 31.195 1.00 0.00 C ATOM 930 CD GLU A 56 24.624 22.390 32.610 1.00 0.00 C ATOM 931 OE1 GLU A 56 25.660 21.727 32.882 1.00 0.00 O ATOM 932 OE2 GLU A 56 24.006 23.086 33.460 1.00 0.00 O ATOM 0 H GLU A 56 24.592 24.456 29.720 1.00 0.00 H new ATOM 0 HA GLU A 56 26.780 23.370 30.937 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.626 22.069 29.150 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.610 21.189 30.302 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.555 23.316 31.002 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.312 21.585 31.122 1.00 0.00 H new ATOM 939 N GLU A 57 26.915 23.015 27.664 1.00 0.00 N ATOM 940 CA GLU A 57 27.711 22.434 26.627 1.00 0.00 C ATOM 941 C GLU A 57 28.934 23.254 26.396 1.00 0.00 C ATOM 942 O GLU A 57 30.010 22.759 26.063 1.00 0.00 O ATOM 943 CB GLU A 57 27.008 22.124 25.295 1.00 0.00 C ATOM 944 CG GLU A 57 27.227 23.123 24.156 1.00 0.00 C ATOM 945 CD GLU A 57 26.706 22.607 22.822 1.00 0.00 C ATOM 946 OE1 GLU A 57 25.674 21.884 22.795 1.00 0.00 O ATOM 947 OE2 GLU A 57 27.330 22.939 21.779 1.00 0.00 O ATOM 0 H GLU A 57 26.161 23.614 27.328 1.00 0.00 H new ATOM 0 HA GLU A 57 27.963 21.447 27.015 1.00 0.00 H new ATOM 0 HB2 GLU A 57 27.339 21.142 24.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.937 22.052 25.484 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.729 24.061 24.399 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.291 23.341 24.067 1.00 0.00 H new ATOM 954 N VAL A 58 28.783 24.577 26.584 1.00 0.00 N ATOM 955 CA VAL A 58 29.819 25.551 26.440 1.00 0.00 C ATOM 956 C VAL A 58 30.910 25.322 27.431 1.00 0.00 C ATOM 957 O VAL A 58 32.103 25.419 27.153 1.00 0.00 O ATOM 958 CB VAL A 58 29.178 26.908 26.439 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.229 27.623 27.799 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.889 27.791 25.400 1.00 0.00 C ATOM 0 H VAL A 58 27.889 24.989 26.851 1.00 0.00 H new ATOM 0 HA VAL A 58 30.343 25.465 25.488 1.00 0.00 H new ATOM 0 HB VAL A 58 28.126 26.754 26.200 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.746 28.597 27.717 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.710 27.022 28.546 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.268 27.758 28.100 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.432 28.781 25.390 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.944 27.881 25.660 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.796 27.338 24.413 1.00 0.00 H new ATOM 970 N PHE A 59 30.476 24.878 28.624 1.00 0.00 N ATOM 971 CA PHE A 59 31.230 24.265 29.673 1.00 0.00 C ATOM 972 C PHE A 59 31.794 22.937 29.300 1.00 0.00 C ATOM 973 O PHE A 59 33.001 22.721 29.400 1.00 0.00 O ATOM 974 CB PHE A 59 30.295 24.225 30.892 1.00 0.00 C ATOM 975 CG PHE A 59 30.836 23.675 32.167 1.00 0.00 C ATOM 976 CD1 PHE A 59 30.897 22.317 32.375 1.00 0.00 C ATOM 977 CD2 PHE A 59 31.140 24.520 33.208 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.285 21.807 33.591 1.00 0.00 C ATOM 979 CE2 PHE A 59 31.517 24.020 34.433 1.00 0.00 C ATOM 980 CZ PHE A 59 31.600 22.660 34.622 1.00 0.00 C ATOM 0 H PHE A 59 29.491 24.959 28.878 1.00 0.00 H new ATOM 0 HA PHE A 59 32.126 24.843 29.899 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.953 25.242 31.085 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.417 23.639 30.621 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.637 21.643 31.573 1.00 0.00 H new ATOM 0 HD2 PHE A 59 31.082 25.589 33.062 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.342 20.738 33.736 1.00 0.00 H new ATOM 0 HE2 PHE A 59 31.747 24.694 35.245 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.912 22.264 35.577 1.00 0.00 H new ATOM 990 N THR A 60 30.971 21.978 28.838 1.00 0.00 N ATOM 991 CA THR A 60 31.349 20.654 28.450 1.00 0.00 C ATOM 992 C THR A 60 32.437 20.569 27.436 1.00 0.00 C ATOM 993 O THR A 60 33.389 19.805 27.585 1.00 0.00 O ATOM 994 CB THR A 60 30.194 19.771 28.085 1.00 0.00 C ATOM 995 OG1 THR A 60 30.184 18.582 28.859 1.00 0.00 O ATOM 996 CG2 THR A 60 30.120 19.345 26.609 1.00 0.00 C ATOM 0 H THR A 60 29.970 22.141 28.728 1.00 0.00 H new ATOM 0 HA THR A 60 31.778 20.260 29.371 1.00 0.00 H new ATOM 0 HB THR A 60 29.332 20.405 28.291 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.418 18.029 28.599 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.248 18.709 26.457 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.038 20.230 25.978 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.022 18.793 26.344 1.00 0.00 H new ATOM 1004 N GLU A 61 32.365 21.354 26.346 1.00 0.00 N ATOM 1005 CA GLU A 61 33.319 21.267 25.285 1.00 0.00 C ATOM 1006 C GLU A 61 34.646 21.788 25.719 1.00 0.00 C ATOM 1007 O GLU A 61 35.639 21.082 25.546 1.00 0.00 O ATOM 1008 CB GLU A 61 32.800 21.755 23.921 1.00 0.00 C ATOM 1009 CG GLU A 61 31.614 20.924 23.428 1.00 0.00 C ATOM 1010 CD GLU A 61 31.561 20.759 21.916 1.00 0.00 C ATOM 1011 OE1 GLU A 61 31.465 21.777 21.178 1.00 0.00 O ATOM 1012 OE2 GLU A 61 31.606 19.591 21.446 1.00 0.00 O ATOM 0 H GLU A 61 31.639 22.055 26.199 1.00 0.00 H new ATOM 0 HA GLU A 61 33.485 20.211 25.072 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.502 22.801 23.999 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.606 21.707 23.188 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.658 19.938 23.890 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.690 21.393 23.765 1.00 0.00 H new ATOM 1019 N VAL A 62 34.704 22.933 26.422 1.00 0.00 N ATOM 1020 CA VAL A 62 35.854 23.501 27.055 1.00 0.00 C ATOM 1021 C VAL A 62 36.625 22.567 27.922 1.00 0.00 C ATOM 1022 O VAL A 62 37.854 22.541 27.927 1.00 0.00 O ATOM 1023 CB VAL A 62 35.414 24.692 27.855 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.455 25.206 28.863 1.00 0.00 C ATOM 1025 CG2 VAL A 62 35.077 25.792 26.835 1.00 0.00 C ATOM 0 H VAL A 62 33.874 23.510 26.558 1.00 0.00 H new ATOM 0 HA VAL A 62 36.543 23.775 26.256 1.00 0.00 H new ATOM 0 HB VAL A 62 34.562 24.401 28.469 1.00 0.00 H new ATOM 0 HG11 VAL A 62 36.052 26.067 29.396 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.692 24.416 29.576 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.361 25.499 28.333 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.749 26.688 27.361 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.963 26.023 26.243 1.00 0.00 H new ATOM 0 HG23 VAL A 62 34.280 25.446 26.177 1.00 0.00 H new ATOM 1035 N ALA A 63 35.889 21.712 28.654 1.00 0.00 N ATOM 1036 CA ALA A 63 36.382 20.753 29.594 1.00 0.00 C ATOM 1037 C ALA A 63 37.152 19.671 28.921 1.00 0.00 C ATOM 1038 O ALA A 63 38.066 19.074 29.488 1.00 0.00 O ATOM 1039 CB ALA A 63 35.228 20.073 30.349 1.00 0.00 C ATOM 0 H ALA A 63 34.872 21.690 28.582 1.00 0.00 H new ATOM 0 HA ALA A 63 37.023 21.306 30.280 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.633 19.349 31.056 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.653 20.825 30.889 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.579 19.562 29.638 1.00 0.00 H new ATOM 1045 N ASN A 64 36.779 19.350 27.669 1.00 0.00 N ATOM 1046 CA ASN A 64 37.402 18.301 26.922 1.00 0.00 C ATOM 1047 C ASN A 64 38.702 18.731 26.335 1.00 0.00 C ATOM 1048 O ASN A 64 39.595 17.913 26.116 1.00 0.00 O ATOM 1049 CB ASN A 64 36.365 17.585 26.041 1.00 0.00 C ATOM 1050 CG ASN A 64 36.443 17.772 24.532 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.533 18.616 23.975 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 37.242 17.126 23.855 1.00 0.00 N flip ATOM 0 H ASN A 64 36.031 19.828 27.166 1.00 0.00 H new ATOM 0 HA ASN A 64 37.747 17.493 27.568 1.00 0.00 H new ATOM 0 HB2 ASN A 64 36.435 16.517 26.247 1.00 0.00 H new ATOM 0 HB3 ASN A 64 35.375 17.908 26.365 1.00 0.00 H new ATOM 0 HD21 ASN A 64 37.909 16.503 24.310 1.00 0.00 H new ATOM 0 HD22 ASN A 64 37.237 17.213 22.839 1.00 0.00 H new ATOM 1059 N LEU A 65 38.904 20.045 26.130 1.00 0.00 N ATOM 1060 CA LEU A 65 40.194 20.596 25.855 1.00 0.00 C ATOM 1061 C LEU A 65 41.081 20.690 27.047 1.00 0.00 C ATOM 1062 O LEU A 65 42.306 20.628 26.948 1.00 0.00 O ATOM 1063 CB LEU A 65 40.191 21.985 25.194 1.00 0.00 C ATOM 1064 CG LEU A 65 39.314 22.152 23.942 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.891 22.565 24.355 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.887 23.208 22.981 1.00 0.00 C ATOM 0 H LEU A 65 38.156 20.738 26.156 1.00 0.00 H new ATOM 0 HA LEU A 65 40.582 19.865 25.146 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.867 22.714 25.936 1.00 0.00 H new ATOM 0 HB3 LEU A 65 41.217 22.237 24.927 1.00 0.00 H new ATOM 0 HG LEU A 65 39.294 21.194 23.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.273 22.682 23.465 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.461 21.796 24.997 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.929 23.510 24.897 1.00 0.00 H new ATOM 0 HD21 LEU A 65 39.239 23.296 22.109 1.00 0.00 H new ATOM 0 HD22 LEU A 65 39.944 24.170 23.490 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.885 22.907 22.662 1.00 0.00 H new ATOM 1078 N PHE A 66 40.504 20.863 28.250 1.00 0.00 N ATOM 1079 CA PHE A 66 41.202 21.218 29.447 1.00 0.00 C ATOM 1080 C PHE A 66 41.525 20.022 30.275 1.00 0.00 C ATOM 1081 O PHE A 66 42.167 20.113 31.320 1.00 0.00 O ATOM 1082 CB PHE A 66 40.359 22.163 30.320 1.00 0.00 C ATOM 1083 CG PHE A 66 40.284 23.583 29.875 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.891 24.083 28.747 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.596 24.455 30.683 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.843 25.424 28.450 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.527 25.798 30.393 1.00 0.00 C ATOM 1088 CZ PHE A 66 40.156 26.286 29.272 1.00 0.00 C ATOM 0 H PHE A 66 39.501 20.750 28.395 1.00 0.00 H new ATOM 0 HA PHE A 66 42.121 21.708 29.126 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.345 21.767 30.372 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.761 22.143 31.333 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.414 23.411 28.083 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.099 24.078 31.565 1.00 0.00 H new ATOM 0 HE1 PHE A 66 41.345 25.801 27.571 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.981 26.466 31.043 1.00 0.00 H new ATOM 0 HZ PHE A 66 40.111 27.340 29.039 1.00 0.00 H new ATOM 1098 N ARG A 67 41.093 18.850 29.778 1.00 0.00 N ATOM 1099 CA ARG A 67 41.034 17.548 30.367 1.00 0.00 C ATOM 1100 C ARG A 67 42.108 17.154 31.322 1.00 0.00 C ATOM 1101 O ARG A 67 43.300 17.133 31.018 1.00 0.00 O ATOM 1102 CB ARG A 67 40.864 16.569 29.193 1.00 0.00 C ATOM 1103 CG ARG A 67 42.120 16.344 28.348 1.00 0.00 C ATOM 1104 CD ARG A 67 41.883 15.587 27.040 1.00 0.00 C ATOM 1105 NE ARG A 67 43.219 15.374 26.416 1.00 0.00 N ATOM 1106 CZ ARG A 67 43.404 14.737 25.224 1.00 0.00 C ATOM 1107 NH1 ARG A 67 42.359 14.271 24.479 1.00 0.00 N ATOM 1108 NH2 ARG A 67 44.673 14.551 24.754 1.00 0.00 N ATOM 0 H ARG A 67 40.734 18.817 28.824 1.00 0.00 H new ATOM 0 HA ARG A 67 40.191 17.536 31.058 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.533 15.608 29.587 1.00 0.00 H new ATOM 0 HB3 ARG A 67 40.070 16.938 28.544 1.00 0.00 H new ATOM 0 HG2 ARG A 67 42.564 17.312 28.116 1.00 0.00 H new ATOM 0 HG3 ARG A 67 42.848 15.794 28.944 1.00 0.00 H new ATOM 0 HD2 ARG A 67 41.389 14.634 27.229 1.00 0.00 H new ATOM 0 HD3 ARG A 67 41.233 16.157 26.376 1.00 0.00 H new ATOM 0 HE ARG A 67 44.041 15.724 26.908 1.00 0.00 H new ATOM 0 HH11 ARG A 67 41.402 14.395 24.809 1.00 0.00 H new ATOM 0 HH12 ARG A 67 42.535 13.799 23.592 1.00 0.00 H new ATOM 0 HH21 ARG A 67 45.471 14.887 25.293 1.00 0.00 H new ATOM 0 HH22 ARG A 67 44.823 14.076 23.864 1.00 0.00 H new ATOM 1122 N GLY A 68 41.731 16.841 32.574 1.00 0.00 N ATOM 1123 CA GLY A 68 42.639 16.486 33.620 1.00 0.00 C ATOM 1124 C GLY A 68 42.880 17.605 34.575 1.00 0.00 C ATOM 1125 O GLY A 68 43.532 17.417 35.601 1.00 0.00 O ATOM 0 H GLY A 68 40.755 16.835 32.870 1.00 0.00 H new ATOM 0 HA2 GLY A 68 42.243 15.628 34.164 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.588 16.176 33.183 1.00 0.00 H new ATOM 1129 N GLN A 69 42.371 18.815 34.285 1.00 0.00 N ATOM 1130 CA GLN A 69 42.487 19.957 35.138 1.00 0.00 C ATOM 1131 C GLN A 69 41.132 20.470 35.485 1.00 0.00 C ATOM 1132 O GLN A 69 40.575 21.369 34.856 1.00 0.00 O ATOM 1133 CB GLN A 69 43.297 21.075 34.461 1.00 0.00 C ATOM 1134 CG GLN A 69 44.713 20.638 34.076 1.00 0.00 C ATOM 1135 CD GLN A 69 45.360 21.569 33.062 1.00 0.00 C ATOM 1136 OE1 GLN A 69 46.381 22.209 33.311 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.773 21.606 31.836 1.00 0.00 N ATOM 0 H GLN A 69 41.859 19.006 33.424 1.00 0.00 H new ATOM 0 HA GLN A 69 43.010 19.650 36.044 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.770 21.408 33.567 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.357 21.931 35.133 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.332 20.597 34.972 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.678 19.629 33.666 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.927 21.065 31.659 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.179 22.175 31.093 1.00 0.00 H new ATOM 1146 N GLU A 70 40.550 19.914 36.563 1.00 0.00 N ATOM 1147 CA GLU A 70 39.205 20.164 36.977 1.00 0.00 C ATOM 1148 C GLU A 70 39.047 21.444 37.724 1.00 0.00 C ATOM 1149 O GLU A 70 37.957 22.005 37.828 1.00 0.00 O ATOM 1150 CB GLU A 70 38.648 19.017 37.838 1.00 0.00 C ATOM 1151 CG GLU A 70 39.451 18.674 39.095 1.00 0.00 C ATOM 1152 CD GLU A 70 40.500 17.595 38.871 1.00 0.00 C ATOM 1153 OE1 GLU A 70 40.144 16.487 38.389 1.00 0.00 O ATOM 1154 OE2 GLU A 70 41.695 17.827 39.200 1.00 0.00 O ATOM 0 H GLU A 70 41.040 19.260 37.173 1.00 0.00 H new ATOM 0 HA GLU A 70 38.636 20.238 36.050 1.00 0.00 H new ATOM 0 HB2 GLU A 70 37.632 19.274 38.138 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.581 18.123 37.218 1.00 0.00 H new ATOM 0 HG2 GLU A 70 39.942 19.576 39.460 1.00 0.00 H new ATOM 0 HG3 GLU A 70 38.765 18.346 39.876 1.00 0.00 H new ATOM 1161 N ASP A 71 40.164 21.969 38.259 1.00 0.00 N ATOM 1162 CA ASP A 71 40.346 23.202 38.958 1.00 0.00 C ATOM 1163 C ASP A 71 39.715 24.359 38.263 1.00 0.00 C ATOM 1164 O ASP A 71 39.045 25.205 38.854 1.00 0.00 O ATOM 1165 CB ASP A 71 41.854 23.466 39.102 1.00 0.00 C ATOM 1166 CG ASP A 71 42.582 22.303 39.759 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.672 21.198 39.159 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.080 22.473 40.904 1.00 0.00 O ATOM 0 H ASP A 71 41.046 21.462 38.190 1.00 0.00 H new ATOM 0 HA ASP A 71 39.862 23.106 39.930 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.284 23.652 38.118 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.008 24.369 39.693 1.00 0.00 H new ATOM 1173 N LEU A 72 39.878 24.414 36.929 1.00 0.00 N ATOM 1174 CA LEU A 72 39.339 25.436 36.086 1.00 0.00 C ATOM 1175 C LEU A 72 37.857 25.361 35.954 1.00 0.00 C ATOM 1176 O LEU A 72 37.161 26.359 36.136 1.00 0.00 O ATOM 1177 CB LEU A 72 40.006 25.379 34.702 1.00 0.00 C ATOM 1178 CG LEU A 72 41.544 25.390 34.714 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.054 25.302 33.265 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.158 26.625 35.392 1.00 0.00 C ATOM 0 H LEU A 72 40.411 23.713 36.414 1.00 0.00 H new ATOM 0 HA LEU A 72 39.558 26.392 36.562 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.669 24.477 34.191 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.657 26.228 34.113 1.00 0.00 H new ATOM 0 HG LEU A 72 41.857 24.530 35.306 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.144 25.309 33.262 1.00 0.00 H new ATOM 0 HD12 LEU A 72 41.696 24.379 32.809 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.684 26.155 32.697 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.245 26.556 35.358 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.835 27.525 34.869 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.829 26.671 36.430 1.00 0.00 H new ATOM 1192 N LEU A 73 37.277 24.185 35.653 1.00 0.00 N ATOM 1193 CA LEU A 73 35.880 23.993 35.415 1.00 0.00 C ATOM 1194 C LEU A 73 35.054 24.150 36.645 1.00 0.00 C ATOM 1195 O LEU A 73 33.868 24.475 36.617 1.00 0.00 O ATOM 1196 CB LEU A 73 35.571 22.599 34.843 1.00 0.00 C ATOM 1197 CG LEU A 73 36.036 22.345 33.399 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.501 23.403 32.419 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.563 22.185 33.303 1.00 0.00 C ATOM 0 H LEU A 73 37.813 23.321 35.571 1.00 0.00 H new ATOM 0 HA LEU A 73 35.622 24.768 34.694 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.033 21.852 35.489 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.494 22.439 34.890 1.00 0.00 H new ATOM 0 HG LEU A 73 35.601 21.393 33.095 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.857 23.180 31.413 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.411 23.391 32.430 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.856 24.389 32.719 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.846 22.007 32.265 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.047 23.094 33.661 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.880 21.340 33.915 1.00 0.00 H new ATOM 1211 N SER A 74 35.697 23.959 37.812 1.00 0.00 N ATOM 1212 CA SER A 74 35.113 24.129 39.106 1.00 0.00 C ATOM 1213 C SER A 74 34.757 25.551 39.372 1.00 0.00 C ATOM 1214 O SER A 74 33.612 25.875 39.683 1.00 0.00 O ATOM 1215 CB SER A 74 35.981 23.536 40.229 1.00 0.00 C ATOM 1216 OG SER A 74 36.138 22.141 40.014 1.00 0.00 O ATOM 0 H SER A 74 36.675 23.671 37.854 1.00 0.00 H new ATOM 0 HA SER A 74 34.184 23.559 39.101 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.955 24.025 40.248 1.00 0.00 H new ATOM 0 HB3 SER A 74 35.515 23.716 41.198 1.00 0.00 H new ATOM 0 HG SER A 74 36.755 21.992 39.267 1.00 0.00 H new ATOM 1222 N GLU A 75 35.698 26.487 39.157 1.00 0.00 N ATOM 1223 CA GLU A 75 35.414 27.888 39.181 1.00 0.00 C ATOM 1224 C GLU A 75 34.601 28.380 38.034 1.00 0.00 C ATOM 1225 O GLU A 75 33.959 29.423 38.144 1.00 0.00 O ATOM 1226 CB GLU A 75 36.652 28.785 39.348 1.00 0.00 C ATOM 1227 CG GLU A 75 37.036 28.996 40.815 1.00 0.00 C ATOM 1228 CD GLU A 75 37.705 30.330 41.115 1.00 0.00 C ATOM 1229 OE1 GLU A 75 37.975 31.138 40.186 1.00 0.00 O ATOM 1230 OE2 GLU A 75 37.956 30.603 42.320 1.00 0.00 O ATOM 0 H GLU A 75 36.675 26.267 38.963 1.00 0.00 H new ATOM 0 HA GLU A 75 34.806 27.976 40.081 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.493 28.339 38.817 1.00 0.00 H new ATOM 0 HB3 GLU A 75 36.460 29.753 38.884 1.00 0.00 H new ATOM 0 HG2 GLU A 75 36.138 28.910 41.427 1.00 0.00 H new ATOM 0 HG3 GLU A 75 37.707 28.193 41.119 1.00 0.00 H new ATOM 1237 N PHE A 76 34.524 27.647 36.909 1.00 0.00 N ATOM 1238 CA PHE A 76 33.738 28.031 35.777 1.00 0.00 C ATOM 1239 C PHE A 76 32.278 28.093 36.069 1.00 0.00 C ATOM 1240 O PHE A 76 31.519 28.842 35.455 1.00 0.00 O ATOM 1241 CB PHE A 76 33.996 27.113 34.571 1.00 0.00 C ATOM 1242 CG PHE A 76 33.776 27.679 33.211 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.845 29.022 32.926 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.591 26.802 32.168 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.739 29.483 31.634 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.466 27.246 30.873 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.552 28.592 30.603 1.00 0.00 C ATOM 0 H PHE A 76 35.021 26.765 36.783 1.00 0.00 H new ATOM 0 HA PHE A 76 34.060 29.042 35.528 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.028 26.767 34.627 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.359 26.235 34.676 1.00 0.00 H new ATOM 0 HD1 PHE A 76 33.985 29.728 33.731 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.543 25.742 32.371 1.00 0.00 H new ATOM 0 HE1 PHE A 76 33.802 30.542 31.430 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.301 26.541 30.071 1.00 0.00 H new ATOM 0 HZ PHE A 76 33.473 28.948 29.586 1.00 0.00 H new ATOM 1257 N GLY A 77 31.838 27.366 37.111 1.00 0.00 N ATOM 1258 CA GLY A 77 30.510 27.391 37.641 1.00 0.00 C ATOM 1259 C GLY A 77 30.079 28.692 38.226 1.00 0.00 C ATOM 1260 O GLY A 77 28.885 28.940 38.377 1.00 0.00 O ATOM 0 H GLY A 77 32.447 26.721 37.614 1.00 0.00 H new ATOM 0 HA2 GLY A 77 29.815 27.122 36.846 1.00 0.00 H new ATOM 0 HA3 GLY A 77 30.429 26.622 38.409 1.00 0.00 H new ATOM 1264 N GLN A 78 30.999 29.612 38.565 1.00 0.00 N ATOM 1265 CA GLN A 78 30.669 30.909 39.071 1.00 0.00 C ATOM 1266 C GLN A 78 30.197 31.842 38.009 1.00 0.00 C ATOM 1267 O GLN A 78 29.547 32.850 38.284 1.00 0.00 O ATOM 1268 CB GLN A 78 31.842 31.516 39.860 1.00 0.00 C ATOM 1269 CG GLN A 78 32.204 30.639 41.061 1.00 0.00 C ATOM 1270 CD GLN A 78 33.156 31.341 42.019 1.00 0.00 C ATOM 1271 OE1 GLN A 78 32.806 31.663 43.153 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.404 31.603 41.544 1.00 0.00 N ATOM 0 H GLN A 78 32.003 29.449 38.485 1.00 0.00 H new ATOM 0 HA GLN A 78 29.832 30.768 39.755 1.00 0.00 H new ATOM 0 HB2 GLN A 78 32.709 31.622 39.207 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.577 32.516 40.202 1.00 0.00 H new ATOM 0 HG2 GLN A 78 31.294 30.362 41.594 1.00 0.00 H new ATOM 0 HG3 GLN A 78 32.662 29.715 40.709 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.659 31.321 40.598 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.084 32.081 42.134 1.00 0.00 H new ATOM 1466 N ASN B 201 28.145 35.897 33.505 1.00 0.00 N ATOM 1467 CA ASN B 201 27.700 34.903 32.578 1.00 0.00 C ATOM 1468 C ASN B 201 28.910 34.457 31.831 1.00 0.00 C ATOM 1469 O ASN B 201 29.986 35.035 31.968 1.00 0.00 O ATOM 1470 CB ASN B 201 26.646 35.473 31.613 1.00 0.00 C ATOM 1471 CG ASN B 201 25.285 35.525 32.293 1.00 0.00 C ATOM 1472 OD1 ASN B 201 24.483 34.609 32.123 1.00 0.00 O ATOM 1473 ND2 ASN B 201 24.996 36.605 33.066 1.00 0.00 N ATOM 0 HA ASN B 201 27.225 34.072 33.099 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.939 36.473 31.292 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.590 34.854 30.717 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.089 36.674 33.527 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.686 37.347 33.185 1.00 0.00 H new ATOM 1480 N ILE B 202 28.787 33.438 30.961 1.00 0.00 N ATOM 1481 CA ILE B 202 29.808 32.972 30.074 1.00 0.00 C ATOM 1482 C ILE B 202 30.305 34.040 29.164 1.00 0.00 C ATOM 1483 O ILE B 202 31.482 34.098 28.811 1.00 0.00 O ATOM 1484 CB ILE B 202 29.307 31.767 29.333 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.258 30.532 30.248 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.071 31.486 28.028 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.604 29.902 30.604 1.00 0.00 C ATOM 0 H ILE B 202 27.921 32.907 30.872 1.00 0.00 H new ATOM 0 HA ILE B 202 30.676 32.680 30.664 1.00 0.00 H new ATOM 0 HB ILE B 202 28.287 32.000 29.026 1.00 0.00 H new ATOM 0 HG12 ILE B 202 28.755 30.811 31.174 1.00 0.00 H new ATOM 0 HG13 ILE B 202 28.641 29.773 29.766 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.655 30.601 27.546 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.976 32.342 27.360 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.124 31.316 28.252 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.443 29.041 31.252 1.00 0.00 H new ATOM 0 HD12 ILE B 202 31.108 29.581 29.692 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.223 30.635 31.122 1.00 0.00 H new ATOM 1499 N GLN B 203 29.424 34.995 28.817 1.00 0.00 N ATOM 1500 CA GLN B 203 29.676 36.236 28.153 1.00 0.00 C ATOM 1501 C GLN B 203 30.878 37.004 28.583 1.00 0.00 C ATOM 1502 O GLN B 203 31.561 37.596 27.749 1.00 0.00 O ATOM 1503 CB GLN B 203 28.383 37.070 28.187 1.00 0.00 C ATOM 1504 CG GLN B 203 28.484 38.587 28.024 1.00 0.00 C ATOM 1505 CD GLN B 203 28.773 39.278 29.349 1.00 0.00 C ATOM 1506 OE1 GLN B 203 28.295 38.859 30.402 1.00 0.00 O ATOM 1507 NE2 GLN B 203 29.563 40.384 29.319 1.00 0.00 N ATOM 0 H GLN B 203 28.432 34.883 29.025 1.00 0.00 H new ATOM 0 HA GLN B 203 29.953 35.986 27.129 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.727 36.696 27.401 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.887 36.872 29.137 1.00 0.00 H new ATOM 0 HG2 GLN B 203 29.273 38.824 27.310 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.552 38.971 27.609 1.00 0.00 H new ATOM 0 HE21 GLN B 203 29.948 40.712 28.433 1.00 0.00 H new ATOM 0 HE22 GLN B 203 29.771 40.886 30.182 1.00 0.00 H new ATOM 1516 N MET B 204 31.220 36.995 29.883 1.00 0.00 N ATOM 1517 CA MET B 204 32.321 37.720 30.440 1.00 0.00 C ATOM 1518 C MET B 204 33.640 37.382 29.837 1.00 0.00 C ATOM 1519 O MET B 204 34.497 38.243 29.650 1.00 0.00 O ATOM 1520 CB MET B 204 32.418 37.506 31.961 1.00 0.00 C ATOM 1521 CG MET B 204 31.186 37.969 32.740 1.00 0.00 C ATOM 1522 SD MET B 204 30.951 39.764 32.905 1.00 0.00 S ATOM 1523 CE MET B 204 32.186 40.059 34.204 1.00 0.00 C ATOM 0 H MET B 204 30.705 36.457 30.580 1.00 0.00 H new ATOM 0 HA MET B 204 32.107 38.763 30.208 1.00 0.00 H new ATOM 0 HB2 MET B 204 32.581 36.446 32.158 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.292 38.038 32.336 1.00 0.00 H new ATOM 0 HG2 MET B 204 30.302 37.553 32.257 1.00 0.00 H new ATOM 0 HG3 MET B 204 31.235 37.539 33.740 1.00 0.00 H new ATOM 0 HE1 MET B 204 31.680 40.310 35.136 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.785 39.160 34.347 1.00 0.00 H new ATOM 0 HE3 MET B 204 32.834 40.884 33.909 1.00 0.00 H new ATOM 1533 N LEU B 205 33.854 36.099 29.494 1.00 0.00 N ATOM 1534 CA LEU B 205 35.080 35.562 28.990 1.00 0.00 C ATOM 1535 C LEU B 205 35.587 36.045 27.675 1.00 0.00 C ATOM 1536 O LEU B 205 36.792 36.203 27.489 1.00 0.00 O ATOM 1537 CB LEU B 205 35.060 34.024 29.039 1.00 0.00 C ATOM 1538 CG LEU B 205 35.587 33.457 30.368 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.596 33.546 31.540 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.096 32.021 30.155 1.00 0.00 C ATOM 0 H LEU B 205 33.123 35.392 29.574 1.00 0.00 H new ATOM 0 HA LEU B 205 35.814 35.977 29.680 1.00 0.00 H new ATOM 0 HB2 LEU B 205 34.040 33.674 28.881 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.662 33.632 28.219 1.00 0.00 H new ATOM 0 HG LEU B 205 36.416 34.097 30.671 1.00 0.00 H new ATOM 0 HD11 LEU B 205 35.052 33.123 32.435 1.00 0.00 H new ATOM 0 HD12 LEU B 205 34.340 34.590 31.722 1.00 0.00 H new ATOM 0 HD13 LEU B 205 33.692 32.988 31.295 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.468 31.623 31.099 1.00 0.00 H new ATOM 0 HD22 LEU B 205 35.280 31.395 29.794 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.901 32.026 29.420 1.00 0.00 H new ATOM 1552 N LEU B 206 34.691 36.339 26.716 1.00 0.00 N ATOM 1553 CA LEU B 206 35.057 36.839 25.427 1.00 0.00 C ATOM 1554 C LEU B 206 35.461 38.271 25.508 1.00 0.00 C ATOM 1555 O LEU B 206 36.257 38.776 24.718 1.00 0.00 O ATOM 1556 CB LEU B 206 33.851 36.653 24.490 1.00 0.00 C ATOM 1557 CG LEU B 206 33.381 35.196 24.337 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.563 34.264 24.021 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.537 34.645 25.500 1.00 0.00 C ATOM 0 H LEU B 206 33.685 36.226 26.840 1.00 0.00 H new ATOM 0 HA LEU B 206 35.916 36.291 25.040 1.00 0.00 H new ATOM 0 HB2 LEU B 206 33.021 37.252 24.864 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.108 37.044 23.506 1.00 0.00 H new ATOM 0 HG LEU B 206 32.696 35.218 23.490 1.00 0.00 H new ATOM 0 HD11 LEU B 206 34.202 33.241 23.918 1.00 0.00 H new ATOM 0 HD12 LEU B 206 35.035 34.578 23.090 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.291 34.312 24.831 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.259 33.612 25.290 1.00 0.00 H new ATOM 0 HD22 LEU B 206 33.118 34.685 26.422 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.636 35.248 25.613 1.00 0.00 H new ATOM 1571 N GLU B 207 34.979 38.963 26.557 1.00 0.00 N ATOM 1572 CA GLU B 207 35.343 40.321 26.813 1.00 0.00 C ATOM 1573 C GLU B 207 36.653 40.384 27.519 1.00 0.00 C ATOM 1574 O GLU B 207 37.524 41.158 27.127 1.00 0.00 O ATOM 1575 CB GLU B 207 34.294 41.061 27.662 1.00 0.00 C ATOM 1576 CG GLU B 207 32.900 41.118 27.036 1.00 0.00 C ATOM 1577 CD GLU B 207 31.948 41.970 27.863 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.328 42.415 28.979 1.00 0.00 O ATOM 1579 OE2 GLU B 207 30.802 42.205 27.394 1.00 0.00 O ATOM 0 H GLU B 207 34.327 38.573 27.237 1.00 0.00 H new ATOM 0 HA GLU B 207 35.408 40.811 25.842 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.222 40.574 28.635 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.641 42.079 27.840 1.00 0.00 H new ATOM 0 HG2 GLU B 207 32.970 41.525 26.027 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.500 40.108 26.945 1.00 0.00 H new ATOM 1586 N ALA B 208 36.842 39.549 28.556 1.00 0.00 N ATOM 1587 CA ALA B 208 38.060 39.403 29.291 1.00 0.00 C ATOM 1588 C ALA B 208 39.218 38.991 28.447 1.00 0.00 C ATOM 1589 O ALA B 208 40.298 39.567 28.568 1.00 0.00 O ATOM 1590 CB ALA B 208 37.910 38.401 30.449 1.00 0.00 C ATOM 0 H ALA B 208 36.100 38.940 28.901 1.00 0.00 H new ATOM 0 HA ALA B 208 38.268 40.398 29.686 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.857 38.318 30.983 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.136 38.749 31.134 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.631 37.425 30.052 1.00 0.00 H new ATOM 1596 N ALA B 209 39.038 38.026 27.528 1.00 0.00 N ATOM 1597 CA ALA B 209 40.023 37.638 26.566 1.00 0.00 C ATOM 1598 C ALA B 209 40.527 38.763 25.727 1.00 0.00 C ATOM 1599 O ALA B 209 41.728 39.018 25.670 1.00 0.00 O ATOM 1600 CB ALA B 209 39.456 36.533 25.660 1.00 0.00 C ATOM 0 H ALA B 209 38.171 37.494 27.452 1.00 0.00 H new ATOM 0 HA ALA B 209 40.878 37.273 27.136 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.209 36.240 24.929 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.184 35.669 26.266 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.572 36.905 25.142 1.00 0.00 H new ATOM 1606 N ASP B 210 39.626 39.524 25.079 1.00 0.00 N ATOM 1607 CA ASP B 210 39.981 40.609 24.218 1.00 0.00 C ATOM 1608 C ASP B 210 40.503 41.797 24.951 1.00 0.00 C ATOM 1609 O ASP B 210 41.362 42.523 24.454 1.00 0.00 O ATOM 1610 CB ASP B 210 38.727 40.923 23.384 1.00 0.00 C ATOM 1611 CG ASP B 210 39.034 41.876 22.239 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.948 41.580 21.423 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.335 42.920 22.131 1.00 0.00 O ATOM 0 H ASP B 210 38.619 39.379 25.157 1.00 0.00 H new ATOM 0 HA ASP B 210 40.813 40.326 23.574 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.315 39.996 22.985 1.00 0.00 H new ATOM 0 HB3 ASP B 210 37.963 41.361 24.027 1.00 0.00 H new ATOM 1618 N TYR B 211 40.059 42.025 26.200 1.00 0.00 N ATOM 1619 CA TYR B 211 40.596 42.976 27.125 1.00 0.00 C ATOM 1620 C TYR B 211 42.009 42.674 27.486 1.00 0.00 C ATOM 1621 O TYR B 211 42.862 43.559 27.523 1.00 0.00 O ATOM 1622 CB TYR B 211 39.671 42.999 28.354 1.00 0.00 C ATOM 1623 CG TYR B 211 40.172 43.736 29.548 1.00 0.00 C ATOM 1624 CD1 TYR B 211 40.921 43.067 30.487 1.00 0.00 C ATOM 1625 CD2 TYR B 211 39.852 45.058 29.754 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.345 43.709 31.627 1.00 0.00 C ATOM 1627 CE2 TYR B 211 40.271 45.704 30.893 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.014 45.027 31.831 1.00 0.00 C ATOM 1629 OH TYR B 211 41.408 45.674 33.022 1.00 0.00 O ATOM 0 H TYR B 211 39.270 41.509 26.590 1.00 0.00 H new ATOM 0 HA TYR B 211 40.628 43.965 26.667 1.00 0.00 H new ATOM 0 HB2 TYR B 211 38.719 43.438 28.056 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.469 41.969 28.648 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.178 42.030 30.328 1.00 0.00 H new ATOM 0 HD2 TYR B 211 39.269 45.591 29.018 1.00 0.00 H new ATOM 0 HE1 TYR B 211 41.936 43.179 32.359 1.00 0.00 H new ATOM 0 HE2 TYR B 211 40.017 46.742 31.051 1.00 0.00 H new ATOM 0 HH TYR B 211 41.096 46.603 33.008 1.00 0.00 H new ATOM 1639 N LEU B 212 42.335 41.412 27.816 1.00 0.00 N ATOM 1640 CA LEU B 212 43.613 40.987 28.297 1.00 0.00 C ATOM 1641 C LEU B 212 44.608 40.860 27.194 1.00 0.00 C ATOM 1642 O LEU B 212 45.808 41.043 27.389 1.00 0.00 O ATOM 1643 CB LEU B 212 43.242 39.688 29.030 1.00 0.00 C ATOM 1644 CG LEU B 212 44.401 38.965 29.737 1.00 0.00 C ATOM 1645 CD1 LEU B 212 45.148 39.876 30.725 1.00 0.00 C ATOM 1646 CD2 LEU B 212 43.856 37.703 30.427 1.00 0.00 C ATOM 0 H LEU B 212 41.668 40.644 27.743 1.00 0.00 H new ATOM 0 HA LEU B 212 44.128 41.685 28.957 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.476 39.917 29.771 1.00 0.00 H new ATOM 0 HB3 LEU B 212 42.795 39.002 28.311 1.00 0.00 H new ATOM 0 HG LEU B 212 45.139 38.678 28.988 1.00 0.00 H new ATOM 0 HD11 LEU B 212 45.956 39.316 31.196 1.00 0.00 H new ATOM 0 HD12 LEU B 212 45.562 40.730 30.190 1.00 0.00 H new ATOM 0 HD13 LEU B 212 44.456 40.228 31.490 1.00 0.00 H new ATOM 0 HD21 LEU B 212 44.671 37.183 30.931 1.00 0.00 H new ATOM 0 HD22 LEU B 212 43.099 37.986 31.158 1.00 0.00 H new ATOM 0 HD23 LEU B 212 43.412 37.044 29.681 1.00 0.00 H new ATOM 1658 N GLU B 213 44.137 40.654 25.951 1.00 0.00 N ATOM 1659 CA GLU B 213 44.869 40.756 24.727 1.00 0.00 C ATOM 1660 C GLU B 213 45.466 42.104 24.516 1.00 0.00 C ATOM 1661 O GLU B 213 46.594 42.236 24.045 1.00 0.00 O ATOM 1662 CB GLU B 213 43.856 40.431 23.615 1.00 0.00 C ATOM 1663 CG GLU B 213 44.436 40.301 22.205 1.00 0.00 C ATOM 1664 CD GLU B 213 44.481 38.856 21.729 1.00 0.00 C ATOM 1665 OE1 GLU B 213 43.412 38.341 21.305 1.00 0.00 O ATOM 1666 OE2 GLU B 213 45.561 38.213 21.800 1.00 0.00 O ATOM 0 H GLU B 213 43.164 40.395 25.791 1.00 0.00 H new ATOM 0 HA GLU B 213 45.716 40.070 24.736 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.353 39.498 23.868 1.00 0.00 H new ATOM 0 HB3 GLU B 213 43.094 41.210 23.604 1.00 0.00 H new ATOM 0 HG2 GLU B 213 43.836 40.891 21.512 1.00 0.00 H new ATOM 0 HG3 GLU B 213 45.443 40.718 22.189 1.00 0.00 H new ATOM 1673 N ARG B 214 44.766 43.173 24.934 1.00 0.00 N ATOM 1674 CA ARG B 214 45.246 44.520 24.899 1.00 0.00 C ATOM 1675 C ARG B 214 46.433 44.756 25.767 1.00 0.00 C ATOM 1676 O ARG B 214 47.276 45.598 25.457 1.00 0.00 O ATOM 1677 CB ARG B 214 44.155 45.544 25.257 1.00 0.00 C ATOM 1678 CG ARG B 214 42.958 45.544 24.305 1.00 0.00 C ATOM 1679 CD ARG B 214 41.947 46.662 24.566 1.00 0.00 C ATOM 1680 NE ARG B 214 40.990 46.713 23.424 1.00 0.00 N ATOM 1681 CZ ARG B 214 41.220 47.436 22.290 1.00 0.00 C ATOM 1682 NH1 ARG B 214 42.445 47.958 21.991 1.00 0.00 N ATOM 1683 NH2 ARG B 214 40.207 47.662 21.403 1.00 0.00 N ATOM 0 H ARG B 214 43.823 43.095 25.314 1.00 0.00 H new ATOM 0 HA ARG B 214 45.552 44.665 23.863 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.801 45.342 26.268 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.597 46.540 25.267 1.00 0.00 H new ATOM 0 HG2 ARG B 214 43.323 45.631 23.281 1.00 0.00 H new ATOM 0 HG3 ARG B 214 42.448 44.584 24.381 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.414 46.480 25.499 1.00 0.00 H new ATOM 0 HD3 ARG B 214 42.459 47.618 24.673 1.00 0.00 H new ATOM 0 HE ARG B 214 40.122 46.182 23.494 1.00 0.00 H new ATOM 0 HH11 ARG B 214 43.230 47.813 22.626 1.00 0.00 H new ATOM 0 HH12 ARG B 214 42.576 48.493 21.132 1.00 0.00 H new ATOM 0 HH21 ARG B 214 39.275 47.290 21.587 1.00 0.00 H new ATOM 0 HH22 ARG B 214 40.382 48.203 20.556 1.00 0.00 H new ATOM 1697 N ARG B 215 46.583 43.998 26.867 1.00 0.00 N ATOM 1698 CA ARG B 215 47.736 44.044 27.713 1.00 0.00 C ATOM 1699 C ARG B 215 48.937 43.458 27.054 1.00 0.00 C ATOM 1700 O ARG B 215 50.024 44.029 27.117 1.00 0.00 O ATOM 1701 CB ARG B 215 47.514 43.401 29.092 1.00 0.00 C ATOM 1702 CG ARG B 215 46.331 43.969 29.877 1.00 0.00 C ATOM 1703 CD ARG B 215 46.397 43.731 31.387 1.00 0.00 C ATOM 1704 NE ARG B 215 47.337 44.738 31.954 1.00 0.00 N ATOM 1705 CZ ARG B 215 47.683 44.845 33.271 1.00 0.00 C ATOM 1706 NH1 ARG B 215 47.382 43.904 34.213 1.00 0.00 N ATOM 1707 NH2 ARG B 215 48.385 45.946 33.668 1.00 0.00 N ATOM 0 H ARG B 215 45.878 43.330 27.179 1.00 0.00 H new ATOM 0 HA ARG B 215 47.917 45.105 27.885 1.00 0.00 H new ATOM 0 HB2 ARG B 215 47.364 42.330 28.959 1.00 0.00 H new ATOM 0 HB3 ARG B 215 48.420 43.524 29.686 1.00 0.00 H new ATOM 0 HG2 ARG B 215 46.271 45.042 29.694 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.411 43.528 29.493 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.409 43.833 31.835 1.00 0.00 H new ATOM 0 HD3 ARG B 215 46.742 42.720 31.602 1.00 0.00 H new ATOM 0 HE ARG B 215 47.757 45.403 31.305 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.870 43.062 33.948 1.00 0.00 H new ATOM 0 HH12 ARG B 215 47.669 44.042 35.182 1.00 0.00 H new ATOM 0 HH21 ARG B 215 48.638 46.662 32.987 1.00 0.00 H new ATOM 0 HH22 ARG B 215 48.657 46.052 34.645 1.00 0.00 H new