USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 6 SER OG : rot 31:sc= 0.116 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 29:sc= 0.661 USER MOD Single : A 19 ASN :FLIP amide:sc= -6.7! C(o=-14!,f=-6.7!) USER MOD Single : A 20 THR OG1 : rot 98:sc= -0.775! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 30 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-1.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.508 F(o=-1.2,f=-0.51) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc=-0.00313 (180deg=-0.149) USER MOD Single : A 43 ASN :FLIP amide:sc= -1.37 F(o=-3.2!,f=-1.4) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0697 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.304 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 55:sc= 0.0785 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 6 1.183 18.046 -1.041 1.00 0.00 N ATOM 78 CA SER A 6 2.251 18.900 -1.614 1.00 0.00 C ATOM 79 C SER A 6 3.630 18.411 -1.189 1.00 0.00 C ATOM 80 O SER A 6 3.757 17.654 -0.246 1.00 0.00 O ATOM 81 CB SER A 6 2.051 20.330 -1.091 1.00 0.00 C ATOM 82 OG SER A 6 0.851 20.765 -1.714 1.00 0.00 O ATOM 0 HA SER A 6 2.192 18.863 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.965 20.348 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.892 20.972 -1.355 1.00 0.00 H new ATOM 0 HG SER A 6 0.258 19.998 -1.853 1.00 0.00 H new ATOM 88 N PHE A 7 4.639 18.857 -1.901 1.00 0.00 N ATOM 89 CA PHE A 7 6.029 18.441 -1.570 1.00 0.00 C ATOM 90 C PHE A 7 6.818 19.617 -1.009 1.00 0.00 C ATOM 91 O PHE A 7 6.838 20.685 -1.588 1.00 0.00 O ATOM 92 CB PHE A 7 6.710 17.960 -2.862 1.00 0.00 C ATOM 93 CG PHE A 7 7.763 16.903 -2.520 1.00 0.00 C ATOM 94 CD1 PHE A 7 9.044 17.280 -2.157 1.00 0.00 C ATOM 95 CD2 PHE A 7 7.448 15.556 -2.570 1.00 0.00 C ATOM 96 CE1 PHE A 7 9.993 16.326 -1.851 1.00 0.00 C ATOM 97 CE2 PHE A 7 8.398 14.605 -2.262 1.00 0.00 C ATOM 98 CZ PHE A 7 9.669 14.990 -1.903 1.00 0.00 C ATOM 0 H PHE A 7 4.554 19.491 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 7 6.000 17.647 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.968 17.543 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.177 18.801 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.303 18.328 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.452 15.248 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.991 16.629 -1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.144 13.556 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.412 14.244 -1.662 1.00 0.00 H new ATOM 108 N GLU A 8 7.454 19.403 0.108 1.00 0.00 N ATOM 109 CA GLU A 8 8.243 20.503 0.715 1.00 0.00 C ATOM 110 C GLU A 8 9.677 20.490 0.201 1.00 0.00 C ATOM 111 O GLU A 8 10.327 19.464 0.189 1.00 0.00 O ATOM 112 CB GLU A 8 8.263 20.298 2.238 1.00 0.00 C ATOM 113 CG GLU A 8 8.918 21.512 2.902 1.00 0.00 C ATOM 114 CD GLU A 8 8.885 21.336 4.422 1.00 0.00 C ATOM 115 OE1 GLU A 8 7.898 21.767 4.995 1.00 0.00 O ATOM 116 OE2 GLU A 8 9.848 20.781 4.924 1.00 0.00 O ATOM 0 H GLU A 8 7.461 18.521 0.621 1.00 0.00 H new ATOM 0 HA GLU A 8 7.787 21.457 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.248 20.168 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.814 19.391 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.947 21.617 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.392 22.424 2.618 1.00 0.00 H new ATOM 123 N MET A 9 10.146 21.636 -0.217 1.00 0.00 N ATOM 124 CA MET A 9 11.534 21.712 -0.735 1.00 0.00 C ATOM 125 C MET A 9 12.039 23.151 -0.720 1.00 0.00 C ATOM 126 O MET A 9 11.352 24.057 -1.148 1.00 0.00 O ATOM 127 CB MET A 9 11.537 21.198 -2.183 1.00 0.00 C ATOM 128 CG MET A 9 12.976 20.914 -2.614 1.00 0.00 C ATOM 129 SD MET A 9 14.028 20.010 -1.452 1.00 0.00 S ATOM 130 CE MET A 9 15.464 19.833 -2.538 1.00 0.00 C ATOM 0 H MET A 9 9.628 22.515 -0.221 1.00 0.00 H new ATOM 0 HA MET A 9 12.186 21.108 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.936 20.292 -2.261 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.086 21.937 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.944 20.352 -3.547 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.457 21.867 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.252 19.293 -2.014 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.178 19.280 -3.432 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.828 20.820 -2.823 1.00 0.00 H new ATOM 140 N GLU A 10 13.235 23.334 -0.229 1.00 0.00 N ATOM 141 CA GLU A 10 13.802 24.705 -0.177 1.00 0.00 C ATOM 142 C GLU A 10 14.340 25.125 -1.540 1.00 0.00 C ATOM 143 O GLU A 10 14.796 24.302 -2.309 1.00 0.00 O ATOM 144 CB GLU A 10 14.957 24.708 0.833 1.00 0.00 C ATOM 145 CG GLU A 10 14.502 24.010 2.116 1.00 0.00 C ATOM 146 CD GLU A 10 15.698 23.849 3.056 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.406 24.831 3.203 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.836 22.753 3.573 1.00 0.00 O ATOM 0 H GLU A 10 13.838 22.596 0.135 1.00 0.00 H new ATOM 0 HA GLU A 10 13.019 25.404 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.824 24.197 0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.264 25.731 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.719 24.592 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.075 23.035 1.881 1.00 0.00 H new ATOM 155 N GLY A 11 14.283 26.403 -1.816 1.00 0.00 N ATOM 156 CA GLY A 11 14.791 26.888 -3.128 1.00 0.00 C ATOM 157 C GLY A 11 15.209 28.345 -3.010 1.00 0.00 C ATOM 158 O GLY A 11 15.125 28.925 -1.946 1.00 0.00 O ATOM 0 H GLY A 11 13.911 27.122 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.639 26.281 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.018 26.782 -3.890 1.00 0.00 H new ATOM 162 N THR A 12 15.649 28.908 -4.106 1.00 0.00 N ATOM 163 CA THR A 12 16.080 30.329 -4.089 1.00 0.00 C ATOM 164 C THR A 12 15.197 31.145 -5.013 1.00 0.00 C ATOM 165 O THR A 12 14.698 30.635 -5.993 1.00 0.00 O ATOM 166 CB THR A 12 17.525 30.402 -4.588 1.00 0.00 C ATOM 167 OG1 THR A 12 18.165 29.266 -4.043 1.00 0.00 O ATOM 168 CG2 THR A 12 18.260 31.596 -3.964 1.00 0.00 C ATOM 0 H THR A 12 15.727 28.441 -5.010 1.00 0.00 H new ATOM 0 HA THR A 12 16.003 30.726 -3.077 1.00 0.00 H new ATOM 0 HB THR A 12 17.537 30.474 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.103 29.251 -4.328 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.285 31.626 -4.334 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.749 32.520 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.269 31.491 -2.879 1.00 0.00 H new ATOM 176 N VAL A 13 15.032 32.401 -4.698 1.00 0.00 N ATOM 177 CA VAL A 13 14.144 33.279 -5.595 1.00 0.00 C ATOM 178 C VAL A 13 14.913 34.255 -6.495 1.00 0.00 C ATOM 179 O VAL A 13 15.363 35.275 -6.026 1.00 0.00 O ATOM 180 CB VAL A 13 13.278 34.159 -4.679 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.358 35.029 -5.536 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.436 33.260 -3.774 1.00 0.00 C ATOM 0 H VAL A 13 15.447 32.868 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 13 13.589 32.592 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 13 13.915 34.799 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.742 35.654 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.960 35.663 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.715 34.391 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.819 33.877 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.795 32.626 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.093 32.636 -3.169 1.00 0.00 H new ATOM 192 N VAL A 14 14.999 33.979 -7.804 1.00 0.00 N ATOM 193 CA VAL A 14 15.741 34.942 -8.642 1.00 0.00 C ATOM 194 C VAL A 14 15.229 34.993 -10.092 1.00 0.00 C ATOM 195 O VAL A 14 15.755 34.380 -10.995 1.00 0.00 O ATOM 196 CB VAL A 14 17.214 34.481 -8.673 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.142 35.700 -8.725 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.528 33.657 -7.422 1.00 0.00 C ATOM 0 H VAL A 14 14.602 33.169 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 14 15.612 35.936 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 14 17.373 33.868 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.180 35.367 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.929 36.282 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.978 36.320 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.569 33.335 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.361 34.266 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.878 32.782 -7.390 1.00 0.00 H new ATOM 208 N ASP A 15 14.200 35.730 -10.241 1.00 0.00 N ATOM 209 CA ASP A 15 13.562 35.925 -11.552 1.00 0.00 C ATOM 210 C ASP A 15 12.215 36.591 -11.317 1.00 0.00 C ATOM 211 O ASP A 15 11.606 36.358 -10.290 1.00 0.00 O ATOM 212 CB ASP A 15 13.415 34.608 -12.292 1.00 0.00 C ATOM 213 CG ASP A 15 14.527 34.504 -13.344 1.00 0.00 C ATOM 214 OD1 ASP A 15 14.524 35.358 -14.217 1.00 0.00 O ATOM 215 OD2 ASP A 15 15.313 33.580 -13.219 1.00 0.00 O ATOM 0 H ASP A 15 13.748 36.232 -9.477 1.00 0.00 H new ATOM 0 HA ASP A 15 14.183 36.561 -12.183 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.478 33.774 -11.593 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.437 34.551 -12.770 1.00 0.00 H new ATOM 220 N THR A 16 11.761 37.386 -12.239 1.00 0.00 N ATOM 221 CA THR A 16 10.434 38.054 -12.030 1.00 0.00 C ATOM 222 C THR A 16 9.540 37.952 -13.253 1.00 0.00 C ATOM 223 O THR A 16 9.944 38.270 -14.355 1.00 0.00 O ATOM 224 CB THR A 16 10.685 39.536 -11.735 1.00 0.00 C ATOM 225 OG1 THR A 16 11.384 40.030 -12.860 1.00 0.00 O ATOM 226 CG2 THR A 16 11.666 39.703 -10.565 1.00 0.00 C ATOM 0 H THR A 16 12.234 37.605 -13.116 1.00 0.00 H new ATOM 0 HA THR A 16 9.929 37.554 -11.204 1.00 0.00 H new ATOM 0 HB THR A 16 9.740 40.032 -11.514 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.127 39.518 -13.655 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.828 40.764 -10.375 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.252 39.234 -9.673 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.615 39.230 -10.816 1.00 0.00 H new ATOM 234 N LEU A 17 8.324 37.506 -13.022 1.00 0.00 N ATOM 235 CA LEU A 17 7.357 37.363 -14.134 1.00 0.00 C ATOM 236 C LEU A 17 6.206 38.366 -13.945 1.00 0.00 C ATOM 237 O LEU A 17 5.889 38.730 -12.816 1.00 0.00 O ATOM 238 CB LEU A 17 6.787 35.951 -14.093 1.00 0.00 C ATOM 239 CG LEU A 17 7.912 34.952 -14.362 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.301 33.588 -14.582 1.00 0.00 C ATOM 241 CD2 LEU A 17 8.687 35.353 -15.622 1.00 0.00 C ATOM 0 H LEU A 17 7.970 37.237 -12.104 1.00 0.00 H new ATOM 0 HA LEU A 17 7.853 37.552 -15.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.335 35.756 -13.121 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.000 35.841 -14.839 1.00 0.00 H new ATOM 0 HG LEU A 17 8.594 34.939 -13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.091 32.862 -14.776 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.745 33.291 -13.693 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.625 33.625 -15.437 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.486 34.633 -15.802 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.010 35.366 -16.477 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.117 36.345 -15.484 1.00 0.00 H new ATOM 253 N PRO A 18 5.549 38.772 -15.039 1.00 0.00 N ATOM 254 CA PRO A 18 4.452 39.721 -14.918 1.00 0.00 C ATOM 255 C PRO A 18 3.114 39.007 -14.899 1.00 0.00 C ATOM 256 O PRO A 18 2.722 38.393 -15.864 1.00 0.00 O ATOM 257 CB PRO A 18 4.526 40.517 -16.229 1.00 0.00 C ATOM 258 CG PRO A 18 5.278 39.600 -17.252 1.00 0.00 C ATOM 259 CD PRO A 18 5.972 38.495 -16.425 1.00 0.00 C ATOM 0 HA PRO A 18 4.531 40.316 -14.008 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.528 40.767 -16.590 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.058 41.457 -16.084 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.581 39.167 -17.970 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.008 40.174 -17.823 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.662 37.501 -16.746 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.056 38.540 -16.529 1.00 0.00 H new ATOM 267 N ASN A 19 2.442 39.173 -13.780 1.00 0.00 N ATOM 268 CA ASN A 19 1.098 38.558 -13.536 1.00 0.00 C ATOM 269 C ASN A 19 1.038 38.156 -12.077 1.00 0.00 C ATOM 270 O ASN A 19 0.187 37.396 -11.669 1.00 0.00 O ATOM 271 CB ASN A 19 0.901 37.281 -14.386 1.00 0.00 C ATOM 272 CG ASN A 19 2.172 36.425 -14.340 1.00 0.00 C ATOM 273 OD1 ASN A 19 3.186 36.833 -13.627 1.00 0.00 O flip ATOM 274 ND2 ASN A 19 2.251 35.379 -14.955 1.00 0.00 N flip ATOM 0 H ASN A 19 2.786 39.731 -12.999 1.00 0.00 H new ATOM 0 HA ASN A 19 0.325 39.279 -13.802 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.053 36.709 -14.009 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.671 37.551 -15.417 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.462 35.055 -15.514 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.107 34.825 -14.912 1.00 0.00 H new ATOM 281 N THR A 20 1.977 38.690 -11.323 1.00 0.00 N ATOM 282 CA THR A 20 2.052 38.389 -9.868 1.00 0.00 C ATOM 283 C THR A 20 2.729 37.046 -9.630 1.00 0.00 C ATOM 284 O THR A 20 2.215 36.213 -8.908 1.00 0.00 O ATOM 285 CB THR A 20 0.632 38.337 -9.281 1.00 0.00 C ATOM 286 OG1 THR A 20 -0.120 39.277 -10.020 1.00 0.00 O ATOM 287 CG2 THR A 20 0.626 38.878 -7.843 1.00 0.00 C ATOM 0 H THR A 20 2.697 39.326 -11.665 1.00 0.00 H new ATOM 0 HA THR A 20 2.634 39.173 -9.384 1.00 0.00 H new ATOM 0 HB THR A 20 0.255 37.315 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.619 38.815 -10.726 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.387 38.834 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.288 38.273 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.972 39.911 -7.842 1.00 0.00 H new ATOM 295 N MET A 21 3.883 36.851 -10.244 1.00 0.00 N ATOM 296 CA MET A 21 4.594 35.556 -10.049 1.00 0.00 C ATOM 297 C MET A 21 6.099 35.762 -9.953 1.00 0.00 C ATOM 298 O MET A 21 6.619 36.785 -10.355 1.00 0.00 O ATOM 299 CB MET A 21 4.298 34.650 -11.256 1.00 0.00 C ATOM 300 CG MET A 21 2.902 34.043 -11.100 1.00 0.00 C ATOM 301 SD MET A 21 2.674 32.801 -9.803 1.00 0.00 S ATOM 302 CE MET A 21 0.975 32.341 -10.224 1.00 0.00 C ATOM 0 H MET A 21 4.346 37.522 -10.856 1.00 0.00 H new ATOM 0 HA MET A 21 4.246 35.104 -9.120 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.356 35.225 -12.180 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.046 33.860 -11.325 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.200 34.856 -10.915 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.623 33.591 -12.052 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.625 31.571 -9.536 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.331 33.217 -10.146 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.944 31.958 -11.244 1.00 0.00 H new ATOM 312 N PHE A 22 6.773 34.778 -9.421 1.00 0.00 N ATOM 313 CA PHE A 22 8.225 34.876 -9.285 1.00 0.00 C ATOM 314 C PHE A 22 8.787 33.513 -9.528 1.00 0.00 C ATOM 315 O PHE A 22 8.127 32.533 -9.238 1.00 0.00 O ATOM 316 CB PHE A 22 8.559 35.315 -7.852 1.00 0.00 C ATOM 317 CG PHE A 22 7.754 36.570 -7.509 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.443 36.469 -7.069 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.325 37.824 -7.631 1.00 0.00 C ATOM 320 CE1 PHE A 22 5.722 37.604 -6.760 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.601 38.957 -7.321 1.00 0.00 C ATOM 322 CZ PHE A 22 6.301 38.846 -6.887 1.00 0.00 C ATOM 0 H PHE A 22 6.362 33.910 -9.077 1.00 0.00 H new ATOM 0 HA PHE A 22 8.641 35.597 -9.989 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.324 34.515 -7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.626 35.517 -7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.984 35.497 -6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.346 37.917 -7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.701 37.518 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.056 39.932 -7.419 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.734 39.733 -6.646 1.00 0.00 H new ATOM 332 N ARG A 23 9.981 33.439 -10.031 1.00 0.00 N ATOM 333 CA ARG A 23 10.547 32.105 -10.280 1.00 0.00 C ATOM 334 C ARG A 23 11.497 31.713 -9.194 1.00 0.00 C ATOM 335 O ARG A 23 12.333 32.492 -8.767 1.00 0.00 O ATOM 336 CB ARG A 23 11.256 32.134 -11.624 1.00 0.00 C ATOM 337 CG ARG A 23 12.496 31.227 -11.594 1.00 0.00 C ATOM 338 CD ARG A 23 13.090 31.119 -13.006 1.00 0.00 C ATOM 339 NE ARG A 23 12.004 31.286 -14.016 1.00 0.00 N ATOM 340 CZ ARG A 23 11.165 30.306 -14.228 1.00 0.00 C ATOM 341 NH1 ARG A 23 11.631 29.093 -14.361 1.00 0.00 N ATOM 342 NH2 ARG A 23 9.889 30.573 -14.300 1.00 0.00 N ATOM 0 H ARG A 23 10.575 34.231 -10.275 1.00 0.00 H new ATOM 0 HA ARG A 23 9.747 31.364 -10.293 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.575 31.804 -12.409 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.550 33.155 -11.865 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.238 31.632 -10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.226 30.237 -11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.855 31.882 -13.150 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.576 30.152 -13.135 1.00 0.00 H new ATOM 0 HE ARG A 23 11.917 32.158 -14.537 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.635 28.923 -14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.991 28.316 -14.527 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.562 31.533 -14.191 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.219 29.822 -14.465 1.00 0.00 H new ATOM 356 N VAL A 24 11.348 30.500 -8.772 1.00 0.00 N ATOM 357 CA VAL A 24 12.199 29.981 -7.717 1.00 0.00 C ATOM 358 C VAL A 24 13.160 28.999 -8.337 1.00 0.00 C ATOM 359 O VAL A 24 12.753 28.113 -9.061 1.00 0.00 O ATOM 360 CB VAL A 24 11.284 29.285 -6.704 1.00 0.00 C ATOM 361 CG1 VAL A 24 12.038 28.191 -6.002 1.00 0.00 C ATOM 362 CG2 VAL A 24 10.820 30.307 -5.667 1.00 0.00 C ATOM 0 H VAL A 24 10.654 29.843 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 24 12.770 30.764 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 24 10.427 28.859 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.382 27.700 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.385 27.461 -6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.895 28.617 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.168 29.820 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.687 30.723 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.274 31.108 -6.165 1.00 0.00 H new ATOM 372 N GLU A 25 14.417 29.158 -8.048 1.00 0.00 N ATOM 373 CA GLU A 25 15.403 28.228 -8.635 1.00 0.00 C ATOM 374 C GLU A 25 15.735 27.042 -7.749 1.00 0.00 C ATOM 375 O GLU A 25 16.177 27.171 -6.623 1.00 0.00 O ATOM 376 CB GLU A 25 16.702 29.010 -8.897 1.00 0.00 C ATOM 377 CG GLU A 25 16.426 30.142 -9.890 1.00 0.00 C ATOM 378 CD GLU A 25 17.715 30.935 -10.129 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.377 31.202 -9.140 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.964 31.227 -11.287 1.00 0.00 O ATOM 0 H GLU A 25 14.797 29.882 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 25 14.959 27.828 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.088 29.418 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.467 28.343 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.058 29.733 -10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.648 30.800 -9.502 1.00 0.00 H new ATOM 387 N LEU A 26 15.495 25.923 -8.315 1.00 0.00 N ATOM 388 CA LEU A 26 15.736 24.647 -7.678 1.00 0.00 C ATOM 389 C LEU A 26 16.883 24.084 -8.460 1.00 0.00 C ATOM 390 O LEU A 26 16.927 22.911 -8.766 1.00 0.00 O ATOM 391 CB LEU A 26 14.491 23.738 -7.780 1.00 0.00 C ATOM 392 CG LEU A 26 13.404 24.287 -6.868 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.211 23.329 -6.868 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.949 24.401 -5.450 1.00 0.00 C ATOM 0 H LEU A 26 15.115 25.845 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 26 15.950 24.732 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.135 23.700 -8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.745 22.718 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 26 13.089 25.268 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.430 23.720 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.822 23.233 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.530 22.351 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.173 24.794 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.258 23.416 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.806 25.074 -5.443 1.00 0.00 H new ATOM 406 N GLU A 27 17.766 25.029 -8.853 1.00 0.00 N ATOM 407 CA GLU A 27 18.979 24.698 -9.658 1.00 0.00 C ATOM 408 C GLU A 27 19.576 23.394 -9.263 1.00 0.00 C ATOM 409 O GLU A 27 20.490 22.915 -9.905 1.00 0.00 O ATOM 410 CB GLU A 27 20.024 25.805 -9.439 1.00 0.00 C ATOM 411 CG GLU A 27 20.332 25.925 -7.944 1.00 0.00 C ATOM 412 CD GLU A 27 21.027 27.264 -7.676 1.00 0.00 C ATOM 413 OE1 GLU A 27 20.834 28.148 -8.497 1.00 0.00 O ATOM 414 OE2 GLU A 27 21.714 27.327 -6.670 1.00 0.00 O ATOM 0 H GLU A 27 17.669 26.020 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 27 18.683 24.626 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.935 25.575 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.650 26.754 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.411 25.858 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.970 25.101 -7.625 1.00 0.00 H new ATOM 421 N ASN A 28 19.091 22.829 -8.223 1.00 0.00 N ATOM 422 CA ASN A 28 19.634 21.549 -7.825 1.00 0.00 C ATOM 423 C ASN A 28 19.130 20.571 -8.899 1.00 0.00 C ATOM 424 O ASN A 28 18.990 19.384 -8.676 1.00 0.00 O ATOM 425 CB ASN A 28 19.064 21.154 -6.452 1.00 0.00 C ATOM 426 CG ASN A 28 19.973 21.699 -5.350 1.00 0.00 C ATOM 427 OD1 ASN A 28 20.604 22.725 -5.503 1.00 0.00 O ATOM 428 ND2 ASN A 28 20.073 21.043 -4.226 1.00 0.00 N ATOM 0 H ASN A 28 18.344 23.201 -7.636 1.00 0.00 H new ATOM 0 HA ASN A 28 20.721 21.557 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 28 18.055 21.551 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.990 20.069 -6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.678 21.393 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 28 19.546 20.180 -4.090 1.00 0.00 H new ATOM 435 N GLY A 29 18.867 21.153 -10.080 1.00 0.00 N ATOM 436 CA GLY A 29 18.371 20.385 -11.240 1.00 0.00 C ATOM 437 C GLY A 29 16.939 20.846 -11.658 1.00 0.00 C ATOM 438 O GLY A 29 16.486 20.495 -12.730 1.00 0.00 O ATOM 0 H GLY A 29 18.988 22.150 -10.259 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.055 20.509 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.356 19.323 -10.996 1.00 0.00 H new ATOM 442 N HIS A 30 16.248 21.622 -10.802 1.00 0.00 N ATOM 443 CA HIS A 30 14.857 22.082 -11.181 1.00 0.00 C ATOM 444 C HIS A 30 14.659 23.622 -11.141 1.00 0.00 C ATOM 445 O HIS A 30 15.425 24.348 -10.552 1.00 0.00 O ATOM 446 CB HIS A 30 13.870 21.453 -10.192 1.00 0.00 C ATOM 447 CG HIS A 30 13.420 20.095 -10.726 1.00 0.00 C ATOM 448 ND1 HIS A 30 13.662 19.661 -11.875 1.00 0.00 N ATOM 449 CD2 HIS A 30 12.687 19.101 -10.106 1.00 0.00 C ATOM 450 CE1 HIS A 30 13.168 18.508 -12.050 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.520 18.063 -10.971 1.00 0.00 N ATOM 0 H HIS A 30 16.584 21.939 -9.893 1.00 0.00 H new ATOM 0 HA HIS A 30 14.692 21.772 -12.213 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.340 21.335 -9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.009 22.107 -10.054 1.00 0.00 H new ATOM 0 HD2 HIS A 30 12.307 19.141 -9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 30 13.261 17.948 -12.969 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.030 17.179 -10.832 1.00 0.00 H new ATOM 459 N VAL A 31 13.649 24.066 -11.854 1.00 0.00 N ATOM 460 CA VAL A 31 13.307 25.529 -11.915 1.00 0.00 C ATOM 461 C VAL A 31 11.791 25.638 -11.639 1.00 0.00 C ATOM 462 O VAL A 31 11.059 24.748 -12.031 1.00 0.00 O ATOM 463 CB VAL A 31 13.616 26.051 -13.326 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.420 25.783 -14.247 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.872 27.558 -13.253 1.00 0.00 C ATOM 0 H VAL A 31 13.036 23.467 -12.406 1.00 0.00 H new ATOM 0 HA VAL A 31 13.879 26.111 -11.192 1.00 0.00 H new ATOM 0 HB VAL A 31 14.496 25.543 -13.721 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.641 26.154 -15.248 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.228 24.711 -14.292 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.539 26.293 -13.857 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.092 27.938 -14.250 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.987 28.059 -12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.719 27.752 -12.595 1.00 0.00 H new ATOM 475 N VAL A 32 11.316 26.692 -10.991 1.00 0.00 N ATOM 476 CA VAL A 32 9.845 26.748 -10.749 1.00 0.00 C ATOM 477 C VAL A 32 9.287 28.151 -10.746 1.00 0.00 C ATOM 478 O VAL A 32 10.001 29.125 -10.864 1.00 0.00 O ATOM 479 CB VAL A 32 9.571 26.141 -9.388 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.137 25.645 -9.330 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.512 24.964 -9.147 1.00 0.00 C ATOM 0 H VAL A 32 11.863 27.477 -10.638 1.00 0.00 H new ATOM 0 HA VAL A 32 9.364 26.206 -11.563 1.00 0.00 H new ATOM 0 HB VAL A 32 9.731 26.901 -8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.942 25.209 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.456 26.480 -9.497 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.982 24.890 -10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.310 24.532 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.354 24.208 -9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.545 25.310 -9.185 1.00 0.00 H new ATOM 491 N THR A 33 7.991 28.199 -10.612 1.00 0.00 N ATOM 492 CA THR A 33 7.265 29.484 -10.586 1.00 0.00 C ATOM 493 C THR A 33 6.552 29.611 -9.250 1.00 0.00 C ATOM 494 O THR A 33 5.517 29.006 -9.048 1.00 0.00 O ATOM 495 CB THR A 33 6.229 29.464 -11.707 1.00 0.00 C ATOM 496 OG1 THR A 33 6.910 28.953 -12.833 1.00 0.00 O ATOM 497 CG2 THR A 33 5.824 30.888 -12.112 1.00 0.00 C ATOM 0 H THR A 33 7.396 27.376 -10.518 1.00 0.00 H new ATOM 0 HA THR A 33 7.951 30.321 -10.719 1.00 0.00 H new ATOM 0 HB THR A 33 5.353 28.899 -11.388 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.296 28.912 -13.596 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.085 30.842 -12.912 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.396 31.403 -11.252 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.703 31.431 -12.460 1.00 0.00 H new ATOM 505 N ALA A 34 7.104 30.398 -8.358 1.00 0.00 N ATOM 506 CA ALA A 34 6.453 30.553 -7.039 1.00 0.00 C ATOM 507 C ALA A 34 5.570 31.790 -6.975 1.00 0.00 C ATOM 508 O ALA A 34 5.522 32.579 -7.898 1.00 0.00 O ATOM 509 CB ALA A 34 7.557 30.686 -5.984 1.00 0.00 C ATOM 0 H ALA A 34 7.965 30.929 -8.492 1.00 0.00 H new ATOM 0 HA ALA A 34 5.819 29.684 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.106 30.802 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.180 29.792 -5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.171 31.559 -6.207 1.00 0.00 H new ATOM 515 N HIS A 35 4.883 31.924 -5.872 1.00 0.00 N ATOM 516 CA HIS A 35 3.986 33.087 -5.688 1.00 0.00 C ATOM 517 C HIS A 35 4.114 33.593 -4.264 1.00 0.00 C ATOM 518 O HIS A 35 4.162 32.812 -3.334 1.00 0.00 O ATOM 519 CB HIS A 35 2.535 32.633 -5.937 1.00 0.00 C ATOM 520 CG HIS A 35 1.600 33.843 -5.864 1.00 0.00 C ATOM 521 ND1 HIS A 35 1.101 34.508 -4.760 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 1.119 34.436 -6.852 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 0.296 35.525 -5.176 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.373 35.399 -6.502 1.00 0.00 N flip ATOM 0 H HIS A 35 4.909 31.270 -5.089 1.00 0.00 H new ATOM 0 HA HIS A 35 4.254 33.882 -6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.455 32.157 -6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.243 31.890 -5.195 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.303 34.274 -3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.315 34.162 -7.878 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.257 36.243 -4.589 1.00 0.00 H new ATOM 532 N ILE A 36 4.164 34.884 -4.106 1.00 0.00 N ATOM 533 CA ILE A 36 4.292 35.431 -2.736 1.00 0.00 C ATOM 534 C ILE A 36 2.926 35.690 -2.114 1.00 0.00 C ATOM 535 O ILE A 36 2.054 36.264 -2.736 1.00 0.00 O ATOM 536 CB ILE A 36 5.058 36.754 -2.822 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.383 37.259 -1.426 1.00 0.00 C ATOM 538 CG2 ILE A 36 4.166 37.794 -3.523 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.327 38.460 -1.535 1.00 0.00 C ATOM 0 H ILE A 36 4.122 35.573 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 36 4.818 34.708 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 36 5.983 36.600 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.468 37.546 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.848 36.467 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.698 38.743 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.917 37.444 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.250 37.933 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.565 38.828 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.245 38.157 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.844 39.252 -2.108 1.00 0.00 H new ATOM 551 N SER A 37 2.767 35.265 -0.890 1.00 0.00 N ATOM 552 CA SER A 37 1.468 35.476 -0.209 1.00 0.00 C ATOM 553 C SER A 37 0.961 36.894 -0.434 1.00 0.00 C ATOM 554 O SER A 37 1.732 37.804 -0.670 1.00 0.00 O ATOM 555 CB SER A 37 1.674 35.254 1.298 1.00 0.00 C ATOM 556 OG SER A 37 2.758 36.110 1.630 1.00 0.00 O ATOM 0 H SER A 37 3.478 34.784 -0.339 1.00 0.00 H new ATOM 0 HA SER A 37 0.734 34.778 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.778 35.508 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.907 34.212 1.519 1.00 0.00 H new ATOM 0 HG SER A 37 2.957 36.031 2.586 1.00 0.00 H new ATOM 562 N GLY A 38 -0.332 37.058 -0.359 1.00 0.00 N ATOM 563 CA GLY A 38 -0.911 38.415 -0.567 1.00 0.00 C ATOM 564 C GLY A 38 -0.548 39.335 0.601 1.00 0.00 C ATOM 565 O GLY A 38 -0.466 40.537 0.445 1.00 0.00 O ATOM 0 H GLY A 38 -1.007 36.318 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.538 38.837 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.995 38.345 -0.660 1.00 0.00 H new ATOM 569 N LYS A 39 -0.336 38.750 1.749 1.00 0.00 N ATOM 570 CA LYS A 39 0.020 39.572 2.931 1.00 0.00 C ATOM 571 C LYS A 39 1.093 40.594 2.574 1.00 0.00 C ATOM 572 O LYS A 39 0.989 41.754 2.923 1.00 0.00 O ATOM 573 CB LYS A 39 0.561 38.630 4.022 1.00 0.00 C ATOM 574 CG LYS A 39 1.210 39.455 5.141 1.00 0.00 C ATOM 575 CD LYS A 39 0.176 40.420 5.729 1.00 0.00 C ATOM 576 CE LYS A 39 -1.090 39.643 6.103 1.00 0.00 C ATOM 577 NZ LYS A 39 -1.881 40.392 7.121 1.00 0.00 N ATOM 0 H LYS A 39 -0.394 37.745 1.915 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.862 40.108 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.249 38.024 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.290 37.943 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.591 38.795 5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.062 40.012 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.585 40.916 6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.063 41.200 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.697 39.476 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.820 38.662 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.736 39.851 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.305 40.530 7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.155 41.318 6.735 1.00 0.00 H new ATOM 591 N MET A 40 2.108 40.149 1.885 1.00 0.00 N ATOM 592 CA MET A 40 3.190 41.087 1.500 1.00 0.00 C ATOM 593 C MET A 40 2.660 42.164 0.568 1.00 0.00 C ATOM 594 O MET A 40 2.835 43.341 0.810 1.00 0.00 O ATOM 595 CB MET A 40 4.283 40.294 0.771 1.00 0.00 C ATOM 596 CG MET A 40 4.923 39.312 1.752 1.00 0.00 C ATOM 597 SD MET A 40 5.656 40.001 3.256 1.00 0.00 S ATOM 598 CE MET A 40 5.727 38.459 4.201 1.00 0.00 C ATOM 0 H MET A 40 2.231 39.185 1.576 1.00 0.00 H new ATOM 0 HA MET A 40 3.586 41.564 2.397 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.857 39.756 -0.076 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.037 40.972 0.371 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.164 38.588 2.048 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.699 38.761 1.220 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.156 38.654 5.184 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.721 38.057 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 40 6.348 37.736 3.672 1.00 0.00 H new ATOM 608 N ARG A 41 2.020 41.741 -0.482 1.00 0.00 N ATOM 609 CA ARG A 41 1.471 42.725 -1.439 1.00 0.00 C ATOM 610 C ARG A 41 0.676 43.800 -0.712 1.00 0.00 C ATOM 611 O ARG A 41 0.976 44.973 -0.809 1.00 0.00 O ATOM 612 CB ARG A 41 0.534 41.986 -2.404 1.00 0.00 C ATOM 613 CG ARG A 41 0.800 42.472 -3.828 1.00 0.00 C ATOM 614 CD ARG A 41 -0.060 41.665 -4.806 1.00 0.00 C ATOM 615 NE ARG A 41 -1.395 41.411 -4.191 1.00 0.00 N ATOM 616 CZ ARG A 41 -2.275 40.708 -4.847 1.00 0.00 C ATOM 617 NH1 ARG A 41 -2.924 41.269 -5.831 1.00 0.00 N ATOM 618 NH2 ARG A 41 -2.477 39.466 -4.500 1.00 0.00 N ATOM 0 H ARG A 41 1.856 40.762 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 41 2.293 43.201 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.697 40.910 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.506 42.168 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.568 43.534 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.856 42.356 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.176 42.210 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.429 40.721 -5.045 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.617 41.783 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.739 42.242 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.616 40.734 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.950 39.060 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.162 38.901 -5.002 1.00 0.00 H new ATOM 632 N LYS A 42 -0.324 43.377 0.007 1.00 0.00 N ATOM 633 CA LYS A 42 -1.155 44.355 0.749 1.00 0.00 C ATOM 634 C LYS A 42 -0.279 45.291 1.572 1.00 0.00 C ATOM 635 O LYS A 42 -0.555 46.468 1.679 1.00 0.00 O ATOM 636 CB LYS A 42 -2.083 43.581 1.701 1.00 0.00 C ATOM 637 CG LYS A 42 -3.215 42.941 0.892 1.00 0.00 C ATOM 638 CD LYS A 42 -3.891 41.865 1.744 1.00 0.00 C ATOM 639 CE LYS A 42 -4.832 41.044 0.860 1.00 0.00 C ATOM 640 NZ LYS A 42 -4.056 40.102 0.006 1.00 0.00 N ATOM 0 H LYS A 42 -0.599 42.400 0.111 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.730 44.948 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.520 42.813 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.494 44.253 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.941 43.698 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.821 42.503 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.140 41.217 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.448 42.326 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.532 40.487 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.424 41.710 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.697 39.387 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.601 40.629 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.328 39.632 0.581 1.00 0.00 H new ATOM 654 N ASN A 43 0.765 44.746 2.137 1.00 0.00 N ATOM 655 CA ASN A 43 1.672 45.587 2.958 1.00 0.00 C ATOM 656 C ASN A 43 2.843 46.094 2.125 1.00 0.00 C ATOM 657 O ASN A 43 3.839 46.543 2.656 1.00 0.00 O ATOM 658 CB ASN A 43 2.208 44.731 4.115 1.00 0.00 C ATOM 659 CG ASN A 43 3.016 45.616 5.063 1.00 0.00 C ATOM 660 OD1 ASN A 43 2.855 46.910 5.009 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 3.800 45.140 5.858 1.00 0.00 N flip ATOM 0 H ASN A 43 1.025 43.762 2.064 1.00 0.00 H new ATOM 0 HA ASN A 43 1.121 46.448 3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.382 44.264 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.833 43.926 3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.929 44.129 5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.330 45.751 6.480 1.00 0.00 H new ATOM 668 N TYR A 44 2.684 46.016 0.828 1.00 0.00 N ATOM 669 CA TYR A 44 3.758 46.481 -0.101 1.00 0.00 C ATOM 670 C TYR A 44 5.159 46.250 0.468 1.00 0.00 C ATOM 671 O TYR A 44 5.938 47.173 0.587 1.00 0.00 O ATOM 672 CB TYR A 44 3.567 47.990 -0.359 1.00 0.00 C ATOM 673 CG TYR A 44 3.621 48.757 0.964 1.00 0.00 C ATOM 674 CD1 TYR A 44 2.543 48.749 1.825 1.00 0.00 C ATOM 675 CD2 TYR A 44 4.748 49.479 1.311 1.00 0.00 C ATOM 676 CE1 TYR A 44 2.589 49.451 3.014 1.00 0.00 C ATOM 677 CE2 TYR A 44 4.793 50.180 2.499 1.00 0.00 C ATOM 678 CZ TYR A 44 3.715 50.171 3.359 1.00 0.00 C ATOM 679 OH TYR A 44 3.760 50.874 4.547 1.00 0.00 O ATOM 0 H TYR A 44 1.850 45.648 0.370 1.00 0.00 H new ATOM 0 HA TYR A 44 3.676 45.905 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.344 48.354 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.611 48.165 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.656 48.189 1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.600 49.495 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.738 49.436 3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.680 50.740 2.757 1.00 0.00 H new ATOM 0 HH TYR A 44 4.628 51.322 4.629 1.00 0.00 H new ATOM 689 N ILE A 45 5.450 45.019 0.808 1.00 0.00 N ATOM 690 CA ILE A 45 6.788 44.706 1.366 1.00 0.00 C ATOM 691 C ILE A 45 7.691 44.132 0.280 1.00 0.00 C ATOM 692 O ILE A 45 7.213 43.591 -0.697 1.00 0.00 O ATOM 693 CB ILE A 45 6.621 43.662 2.470 1.00 0.00 C ATOM 694 CG1 ILE A 45 5.902 44.281 3.664 1.00 0.00 C ATOM 695 CG2 ILE A 45 8.015 43.193 2.926 1.00 0.00 C ATOM 696 CD1 ILE A 45 6.663 45.525 4.130 1.00 0.00 C ATOM 0 H ILE A 45 4.817 44.224 0.721 1.00 0.00 H new ATOM 0 HA ILE A 45 7.238 45.617 1.760 1.00 0.00 H new ATOM 0 HB ILE A 45 6.040 42.823 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.882 44.548 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.835 43.557 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.908 42.448 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.546 42.754 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.579 44.045 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.149 45.967 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.675 45.244 4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.707 46.250 3.317 1.00 0.00 H new ATOM 708 N ARG A 46 8.983 44.262 0.467 1.00 0.00 N ATOM 709 CA ARG A 46 9.929 43.727 -0.550 1.00 0.00 C ATOM 710 C ARG A 46 11.121 43.044 0.112 1.00 0.00 C ATOM 711 O ARG A 46 11.497 43.377 1.219 1.00 0.00 O ATOM 712 CB ARG A 46 10.440 44.901 -1.401 1.00 0.00 C ATOM 713 CG ARG A 46 10.620 46.130 -0.509 1.00 0.00 C ATOM 714 CD ARG A 46 11.045 47.318 -1.375 1.00 0.00 C ATOM 715 NE ARG A 46 12.447 47.106 -1.833 1.00 0.00 N ATOM 716 CZ ARG A 46 13.433 47.538 -1.097 1.00 0.00 C ATOM 717 NH1 ARG A 46 13.862 46.790 -0.117 1.00 0.00 N ATOM 718 NH2 ARG A 46 13.956 48.703 -1.363 1.00 0.00 N ATOM 0 H ARG A 46 9.416 44.712 1.274 1.00 0.00 H new ATOM 0 HA ARG A 46 9.408 42.992 -1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.387 44.638 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.734 45.119 -2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.689 46.357 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.372 45.933 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.379 47.416 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.971 48.245 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 46 12.634 46.627 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.427 45.885 0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.632 47.111 0.470 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.593 49.260 -2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.728 49.057 -0.798 1.00 0.00 H new ATOM 732 N ILE A 47 11.689 42.093 -0.588 1.00 0.00 N ATOM 733 CA ILE A 47 12.861 41.355 -0.043 1.00 0.00 C ATOM 734 C ILE A 47 13.953 41.248 -1.103 1.00 0.00 C ATOM 735 O ILE A 47 13.668 41.179 -2.281 1.00 0.00 O ATOM 736 CB ILE A 47 12.410 39.952 0.352 1.00 0.00 C ATOM 737 CG1 ILE A 47 11.259 40.040 1.344 1.00 0.00 C ATOM 738 CG2 ILE A 47 13.585 39.229 1.032 1.00 0.00 C ATOM 739 CD1 ILE A 47 9.936 39.861 0.597 1.00 0.00 C ATOM 0 H ILE A 47 11.387 41.798 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 47 13.257 41.887 0.822 1.00 0.00 H new ATOM 0 HB ILE A 47 12.087 39.411 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.364 39.272 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.275 41.003 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 47 13.276 38.224 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.424 39.166 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.889 39.784 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.108 39.923 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.833 40.645 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.923 38.887 0.108 1.00 0.00 H new ATOM 751 N LEU A 48 15.184 41.234 -0.668 1.00 0.00 N ATOM 752 CA LEU A 48 16.299 41.134 -1.649 1.00 0.00 C ATOM 753 C LEU A 48 16.162 39.885 -2.522 1.00 0.00 C ATOM 754 O LEU A 48 15.811 38.825 -2.046 1.00 0.00 O ATOM 755 CB LEU A 48 17.624 41.051 -0.868 1.00 0.00 C ATOM 756 CG LEU A 48 18.791 41.096 -1.857 1.00 0.00 C ATOM 757 CD1 LEU A 48 18.657 42.341 -2.734 1.00 0.00 C ATOM 758 CD2 LEU A 48 20.109 41.167 -1.082 1.00 0.00 C ATOM 0 H LEU A 48 15.463 41.287 0.312 1.00 0.00 H new ATOM 0 HA LEU A 48 16.275 42.009 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.697 41.878 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.660 40.131 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 48 18.779 40.202 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.486 42.379 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.715 42.301 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.675 43.232 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.942 41.199 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.120 42.065 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.205 40.287 -0.445 1.00 0.00 H new ATOM 770 N THR A 49 16.447 40.043 -3.794 1.00 0.00 N ATOM 771 CA THR A 49 16.343 38.886 -4.726 1.00 0.00 C ATOM 772 C THR A 49 17.194 37.737 -4.259 1.00 0.00 C ATOM 773 O THR A 49 18.287 37.897 -3.753 1.00 0.00 O ATOM 774 CB THR A 49 16.812 39.329 -6.108 1.00 0.00 C ATOM 775 OG1 THR A 49 15.894 40.325 -6.514 1.00 0.00 O ATOM 776 CG2 THR A 49 16.637 38.198 -7.132 1.00 0.00 C ATOM 0 H THR A 49 16.745 40.920 -4.220 1.00 0.00 H new ATOM 0 HA THR A 49 15.306 38.552 -4.759 1.00 0.00 H new ATOM 0 HB THR A 49 17.855 39.643 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.142 40.656 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.978 38.537 -8.110 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.224 37.333 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.585 37.920 -7.191 1.00 0.00 H new ATOM 784 N GLY A 50 16.649 36.610 -4.451 1.00 0.00 N ATOM 785 CA GLY A 50 17.293 35.351 -4.072 1.00 0.00 C ATOM 786 C GLY A 50 17.206 35.186 -2.592 1.00 0.00 C ATOM 787 O GLY A 50 18.145 35.419 -1.857 1.00 0.00 O ATOM 0 H GLY A 50 15.731 36.494 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.807 34.514 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.336 35.351 -4.390 1.00 0.00 H new ATOM 791 N ASP A 51 16.054 34.782 -2.202 1.00 0.00 N ATOM 792 CA ASP A 51 15.774 34.549 -0.804 1.00 0.00 C ATOM 793 C ASP A 51 15.684 33.084 -0.669 1.00 0.00 C ATOM 794 O ASP A 51 14.945 32.479 -1.440 1.00 0.00 O ATOM 795 CB ASP A 51 14.424 35.192 -0.417 1.00 0.00 C ATOM 796 CG ASP A 51 13.720 35.726 -1.668 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.403 36.379 -2.438 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.534 35.456 -1.778 1.00 0.00 O ATOM 0 H ASP A 51 15.270 34.599 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 51 16.539 34.979 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.791 34.457 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.588 36.003 0.292 1.00 0.00 H new ATOM 803 N LYS A 52 16.379 32.473 0.225 1.00 0.00 N ATOM 804 CA LYS A 52 16.196 31.033 0.256 1.00 0.00 C ATOM 805 C LYS A 52 14.827 30.836 0.855 1.00 0.00 C ATOM 806 O LYS A 52 14.619 31.137 2.012 1.00 0.00 O ATOM 807 CB LYS A 52 17.262 30.382 1.150 1.00 0.00 C ATOM 808 CG LYS A 52 18.554 30.196 0.355 1.00 0.00 C ATOM 809 CD LYS A 52 19.658 29.735 1.311 1.00 0.00 C ATOM 810 CE LYS A 52 21.020 29.966 0.658 1.00 0.00 C ATOM 811 NZ LYS A 52 22.040 29.055 1.250 1.00 0.00 N ATOM 0 H LYS A 52 17.028 32.884 0.896 1.00 0.00 H new ATOM 0 HA LYS A 52 16.287 30.582 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.448 31.006 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.906 29.419 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.408 29.461 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.838 31.131 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.594 30.284 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.531 28.679 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.949 29.795 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.325 31.003 0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.961 29.223 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.118 29.238 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.754 28.067 1.096 1.00 0.00 H new ATOM 825 N VAL A 53 13.913 30.335 0.066 1.00 0.00 N ATOM 826 CA VAL A 53 12.530 30.126 0.590 1.00 0.00 C ATOM 827 C VAL A 53 12.092 28.697 0.573 1.00 0.00 C ATOM 828 O VAL A 53 12.666 27.870 -0.107 1.00 0.00 O ATOM 829 CB VAL A 53 11.585 30.912 -0.324 1.00 0.00 C ATOM 830 CG1 VAL A 53 11.907 32.403 -0.215 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.800 30.446 -1.771 1.00 0.00 C ATOM 0 H VAL A 53 14.060 30.064 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 53 12.513 30.454 1.629 1.00 0.00 H new ATOM 0 HB VAL A 53 10.549 30.743 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.238 32.968 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.774 32.729 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.939 32.576 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.133 30.998 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.834 30.629 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.585 29.380 -1.846 1.00 0.00 H new ATOM 841 N ARG A 54 11.057 28.423 1.334 1.00 0.00 N ATOM 842 CA ARG A 54 10.554 27.049 1.374 1.00 0.00 C ATOM 843 C ARG A 54 9.477 26.945 0.330 1.00 0.00 C ATOM 844 O ARG A 54 8.470 27.621 0.414 1.00 0.00 O ATOM 845 CB ARG A 54 9.971 26.765 2.758 1.00 0.00 C ATOM 846 CG ARG A 54 9.723 25.263 2.897 1.00 0.00 C ATOM 847 CD ARG A 54 9.341 24.950 4.346 1.00 0.00 C ATOM 848 NE ARG A 54 7.965 25.459 4.606 1.00 0.00 N ATOM 849 CZ ARG A 54 7.468 25.369 5.810 1.00 0.00 C ATOM 850 NH1 ARG A 54 8.009 24.534 6.653 1.00 0.00 N ATOM 851 NH2 ARG A 54 6.448 26.117 6.129 1.00 0.00 N ATOM 0 H ARG A 54 10.557 29.095 1.916 1.00 0.00 H new ATOM 0 HA ARG A 54 11.349 26.329 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.658 27.106 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.039 27.314 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.927 24.949 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.617 24.707 2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.385 23.875 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.050 25.415 5.031 1.00 0.00 H new ATOM 0 HE ARG A 54 7.417 25.873 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.806 23.966 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.635 24.449 7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.052 26.759 5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.047 26.060 7.065 1.00 0.00 H new ATOM 865 N VAL A 55 9.698 26.105 -0.637 1.00 0.00 N ATOM 866 CA VAL A 55 8.696 25.957 -1.698 1.00 0.00 C ATOM 867 C VAL A 55 7.827 24.742 -1.523 1.00 0.00 C ATOM 868 O VAL A 55 8.249 23.724 -1.009 1.00 0.00 O ATOM 869 CB VAL A 55 9.431 25.810 -3.043 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.542 26.376 -4.153 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.756 26.586 -3.018 1.00 0.00 C ATOM 0 H VAL A 55 10.529 25.521 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 55 8.056 26.838 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 55 9.643 24.756 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.051 26.278 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.602 25.825 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.339 27.429 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.263 26.472 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.556 27.642 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.391 26.196 -2.223 1.00 0.00 H new ATOM 881 N GLU A 56 6.613 24.892 -1.965 1.00 0.00 N ATOM 882 CA GLU A 56 5.643 23.807 -1.878 1.00 0.00 C ATOM 883 C GLU A 56 5.219 23.499 -3.282 1.00 0.00 C ATOM 884 O GLU A 56 4.572 24.310 -3.922 1.00 0.00 O ATOM 885 CB GLU A 56 4.427 24.288 -1.067 1.00 0.00 C ATOM 886 CG GLU A 56 4.752 24.201 0.425 1.00 0.00 C ATOM 887 CD GLU A 56 6.002 25.036 0.718 1.00 0.00 C ATOM 888 OE1 GLU A 56 6.031 26.155 0.233 1.00 0.00 O ATOM 889 OE2 GLU A 56 6.857 24.507 1.411 1.00 0.00 O ATOM 0 H GLU A 56 6.258 25.748 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 56 6.065 22.927 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.177 25.314 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.555 23.676 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.911 24.565 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.918 23.163 0.713 1.00 0.00 H new ATOM 896 N LEU A 57 5.581 22.348 -3.755 1.00 0.00 N ATOM 897 CA LEU A 57 5.198 21.996 -5.132 1.00 0.00 C ATOM 898 C LEU A 57 3.904 21.227 -5.136 1.00 0.00 C ATOM 899 O LEU A 57 3.624 20.469 -4.228 1.00 0.00 O ATOM 900 CB LEU A 57 6.303 21.115 -5.738 1.00 0.00 C ATOM 901 CG LEU A 57 7.670 21.752 -5.461 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.762 20.698 -5.650 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.904 22.900 -6.446 1.00 0.00 C ATOM 0 H LEU A 57 6.120 21.644 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 57 5.069 22.909 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.262 20.114 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.150 21.008 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 57 7.697 22.134 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.737 21.145 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.595 19.873 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.733 20.324 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.875 23.354 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.882 22.515 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.122 23.649 -6.324 1.00 0.00 H new ATOM 915 N THR A 58 3.137 21.433 -6.169 1.00 0.00 N ATOM 916 CA THR A 58 1.842 20.731 -6.269 1.00 0.00 C ATOM 917 C THR A 58 1.922 19.548 -7.253 1.00 0.00 C ATOM 918 O THR A 58 2.498 19.668 -8.316 1.00 0.00 O ATOM 919 CB THR A 58 0.828 21.745 -6.787 1.00 0.00 C ATOM 920 OG1 THR A 58 1.093 21.867 -8.171 1.00 0.00 O ATOM 921 CG2 THR A 58 1.134 23.140 -6.205 1.00 0.00 C ATOM 0 H THR A 58 3.356 22.058 -6.945 1.00 0.00 H new ATOM 0 HA THR A 58 1.560 20.332 -5.295 1.00 0.00 H new ATOM 0 HB THR A 58 -0.185 21.431 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.468 22.509 -8.568 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.405 23.859 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.078 23.101 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.135 23.448 -6.506 1.00 0.00 H new ATOM 929 N PRO A 59 1.336 18.415 -6.873 1.00 0.00 N ATOM 930 CA PRO A 59 1.347 17.231 -7.726 1.00 0.00 C ATOM 931 C PRO A 59 0.690 17.518 -9.068 1.00 0.00 C ATOM 932 O PRO A 59 0.894 16.801 -10.029 1.00 0.00 O ATOM 933 CB PRO A 59 0.518 16.177 -6.960 1.00 0.00 C ATOM 934 CG PRO A 59 0.009 16.850 -5.651 1.00 0.00 C ATOM 935 CD PRO A 59 0.625 18.256 -5.595 1.00 0.00 C ATOM 0 HA PRO A 59 2.365 16.900 -7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.320 15.833 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.126 15.302 -6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.080 16.906 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.303 16.266 -4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.144 19.019 -5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.306 18.354 -4.750 1.00 0.00 H new ATOM 943 N TYR A 60 -0.088 18.565 -9.112 1.00 0.00 N ATOM 944 CA TYR A 60 -0.767 18.915 -10.381 1.00 0.00 C ATOM 945 C TYR A 60 0.234 19.455 -11.394 1.00 0.00 C ATOM 946 O TYR A 60 0.084 19.260 -12.582 1.00 0.00 O ATOM 947 CB TYR A 60 -1.813 20.000 -10.084 1.00 0.00 C ATOM 948 CG TYR A 60 -2.978 19.376 -9.312 1.00 0.00 C ATOM 949 CD1 TYR A 60 -4.008 18.747 -9.983 1.00 0.00 C ATOM 950 CD2 TYR A 60 -3.016 19.433 -7.933 1.00 0.00 C ATOM 951 CE1 TYR A 60 -5.057 18.183 -9.286 1.00 0.00 C ATOM 952 CE2 TYR A 60 -4.065 18.870 -7.237 1.00 0.00 C ATOM 953 CZ TYR A 60 -5.093 18.240 -7.908 1.00 0.00 C ATOM 954 OH TYR A 60 -6.142 17.673 -7.211 1.00 0.00 O ATOM 0 H TYR A 60 -0.279 19.187 -8.326 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.237 18.024 -10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.365 20.805 -9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.172 20.441 -11.014 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.992 18.696 -11.062 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.218 19.923 -7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.856 17.693 -9.823 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.082 18.923 -6.158 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.005 17.805 -6.250 1.00 0.00 H new ATOM 964 N ASP A 61 1.239 20.123 -10.901 1.00 0.00 N ATOM 965 CA ASP A 61 2.262 20.685 -11.816 1.00 0.00 C ATOM 966 C ASP A 61 3.431 21.261 -11.022 1.00 0.00 C ATOM 967 O ASP A 61 3.533 22.459 -10.843 1.00 0.00 O ATOM 968 CB ASP A 61 1.612 21.808 -12.645 1.00 0.00 C ATOM 969 CG ASP A 61 1.096 21.229 -13.965 1.00 0.00 C ATOM 970 OD1 ASP A 61 1.822 20.424 -14.525 1.00 0.00 O ATOM 971 OD2 ASP A 61 0.005 21.627 -14.342 1.00 0.00 O ATOM 0 H ASP A 61 1.393 20.302 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 61 2.637 19.895 -12.466 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.791 22.259 -12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.337 22.598 -12.840 1.00 0.00 H new ATOM 976 N LEU A 62 4.287 20.388 -10.548 1.00 0.00 N ATOM 977 CA LEU A 62 5.456 20.853 -9.764 1.00 0.00 C ATOM 978 C LEU A 62 6.054 22.121 -10.358 1.00 0.00 C ATOM 979 O LEU A 62 6.639 22.919 -9.653 1.00 0.00 O ATOM 980 CB LEU A 62 6.512 19.742 -9.780 1.00 0.00 C ATOM 981 CG LEU A 62 5.965 18.543 -9.007 1.00 0.00 C ATOM 982 CD1 LEU A 62 5.394 17.523 -9.987 1.00 0.00 C ATOM 983 CD2 LEU A 62 7.097 17.895 -8.204 1.00 0.00 C ATOM 0 H LEU A 62 4.221 19.378 -10.674 1.00 0.00 H new ATOM 0 HA LEU A 62 5.135 21.078 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.746 19.457 -10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.439 20.094 -9.327 1.00 0.00 H new ATOM 0 HG LEU A 62 5.180 18.877 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.004 16.668 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.590 17.982 -10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.180 17.190 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.708 17.039 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.881 17.562 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.509 18.622 -7.504 1.00 0.00 H new ATOM 995 N SER A 63 5.899 22.291 -11.643 1.00 0.00 N ATOM 996 CA SER A 63 6.456 23.506 -12.274 1.00 0.00 C ATOM 997 C SER A 63 5.891 24.735 -11.587 1.00 0.00 C ATOM 998 O SER A 63 6.249 25.852 -11.906 1.00 0.00 O ATOM 999 CB SER A 63 6.041 23.526 -13.753 1.00 0.00 C ATOM 1000 OG SER A 63 4.628 23.374 -13.720 1.00 0.00 O ATOM 0 H SER A 63 5.417 21.647 -12.270 1.00 0.00 H new ATOM 0 HA SER A 63 7.542 23.505 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.330 24.460 -14.235 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.516 22.719 -14.311 1.00 0.00 H new ATOM 0 HG SER A 63 4.277 23.378 -14.635 1.00 0.00 H new ATOM 1006 N LYS A 64 5.007 24.494 -10.651 1.00 0.00 N ATOM 1007 CA LYS A 64 4.384 25.614 -9.908 1.00 0.00 C ATOM 1008 C LYS A 64 4.369 25.304 -8.416 1.00 0.00 C ATOM 1009 O LYS A 64 4.186 24.162 -8.005 1.00 0.00 O ATOM 1010 CB LYS A 64 2.927 25.790 -10.388 1.00 0.00 C ATOM 1011 CG LYS A 64 2.863 25.709 -11.924 1.00 0.00 C ATOM 1012 CD LYS A 64 3.190 27.081 -12.529 1.00 0.00 C ATOM 1013 CE LYS A 64 2.607 27.165 -13.948 1.00 0.00 C ATOM 1014 NZ LYS A 64 2.394 28.585 -14.342 1.00 0.00 N ATOM 0 H LYS A 64 4.694 23.564 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 64 4.957 26.524 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.295 25.018 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.538 26.751 -10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.569 24.963 -12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.870 25.389 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.775 27.874 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.269 27.230 -12.558 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.283 26.683 -14.654 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.662 26.624 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.000 28.623 -15.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.731 29.034 -13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.302 29.091 -14.320 1.00 0.00 H new ATOM 1028 N GLY A 65 4.552 26.322 -7.636 1.00 0.00 N ATOM 1029 CA GLY A 65 4.557 26.134 -6.171 1.00 0.00 C ATOM 1030 C GLY A 65 4.378 27.480 -5.501 1.00 0.00 C ATOM 1031 O GLY A 65 4.068 28.449 -6.155 1.00 0.00 O ATOM 0 H GLY A 65 4.699 27.280 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.756 25.457 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.494 25.677 -5.853 1.00 0.00 H new ATOM 1035 N ARG A 66 4.509 27.503 -4.211 1.00 0.00 N ATOM 1036 CA ARG A 66 4.347 28.805 -3.484 1.00 0.00 C ATOM 1037 C ARG A 66 5.455 28.979 -2.453 1.00 0.00 C ATOM 1038 O ARG A 66 6.120 28.031 -2.106 1.00 0.00 O ATOM 1039 CB ARG A 66 2.989 28.808 -2.766 1.00 0.00 C ATOM 1040 CG ARG A 66 2.847 27.526 -1.945 1.00 0.00 C ATOM 1041 CD ARG A 66 1.483 27.529 -1.254 1.00 0.00 C ATOM 1042 NE ARG A 66 1.396 26.359 -0.338 1.00 0.00 N ATOM 1043 CZ ARG A 66 0.368 26.247 0.458 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -0.409 27.281 0.631 1.00 0.00 N ATOM 1045 NH2 ARG A 66 0.150 25.105 1.052 1.00 0.00 N ATOM 0 H ARG A 66 4.718 26.694 -3.626 1.00 0.00 H new ATOM 0 HA ARG A 66 4.400 29.623 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.910 29.680 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.180 28.879 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.941 26.653 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.644 27.462 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.347 28.455 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.686 27.485 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 66 2.132 25.653 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.208 28.157 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.218 27.214 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.779 24.318 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.649 25.000 1.677 1.00 0.00 H new ATOM 1059 N ILE A 67 5.630 30.196 -1.969 1.00 0.00 N ATOM 1060 CA ILE A 67 6.702 30.434 -0.954 1.00 0.00 C ATOM 1061 C ILE A 67 6.114 30.571 0.445 1.00 0.00 C ATOM 1062 O ILE A 67 5.146 31.273 0.640 1.00 0.00 O ATOM 1063 CB ILE A 67 7.403 31.740 -1.315 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.422 31.488 -2.412 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.139 32.266 -0.071 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.813 32.823 -3.056 1.00 0.00 C ATOM 0 H ILE A 67 5.084 31.016 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 67 7.392 29.590 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 67 6.666 32.466 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.304 30.998 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.006 30.817 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.645 33.200 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.421 32.441 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.874 31.530 0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.545 32.646 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.927 33.295 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.245 33.479 -2.300 1.00 0.00 H new ATOM 1078 N THR A 68 6.732 29.908 1.409 1.00 0.00 N ATOM 1079 CA THR A 68 6.233 29.987 2.767 1.00 0.00 C ATOM 1080 C THR A 68 7.308 29.532 3.730 1.00 0.00 C ATOM 1081 O THR A 68 7.368 28.383 4.095 1.00 0.00 O ATOM 1082 CB THR A 68 5.040 29.039 2.912 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.388 27.888 2.173 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.790 29.587 2.209 1.00 0.00 C ATOM 0 H THR A 68 7.558 29.324 1.280 1.00 0.00 H new ATOM 0 HA THR A 68 5.943 31.015 2.984 1.00 0.00 H new ATOM 0 HB THR A 68 4.832 28.881 3.970 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.247 27.542 2.492 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.965 28.886 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.519 30.548 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.997 29.717 1.147 1.00 0.00 H new ATOM 1092 N TYR A 69 8.110 30.481 4.079 1.00 0.00 N ATOM 1093 CA TYR A 69 9.274 30.296 5.043 1.00 0.00 C ATOM 1094 C TYR A 69 10.575 30.494 4.305 1.00 0.00 C ATOM 1095 O TYR A 69 10.844 29.820 3.328 1.00 0.00 O ATOM 1096 CB TYR A 69 9.267 28.896 5.703 1.00 0.00 C ATOM 1097 CG TYR A 69 10.327 28.859 6.810 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.015 29.274 8.090 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.606 28.407 6.547 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.965 29.238 9.091 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.556 28.371 7.549 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.243 28.787 8.829 1.00 0.00 C ATOM 1103 OH TYR A 69 13.193 28.753 9.830 1.00 0.00 O ATOM 0 H TYR A 69 8.022 31.435 3.730 1.00 0.00 H new ATOM 0 HA TYR A 69 9.168 31.038 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.282 28.681 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.474 28.128 4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.019 29.630 8.310 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.865 28.080 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.706 29.565 10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.552 28.015 7.330 1.00 0.00 H new ATOM 0 HH TYR A 69 14.036 28.407 9.469 1.00 0.00 H new ATOM 1113 N ARG A 70 11.373 31.422 4.777 1.00 0.00 N ATOM 1114 CA ARG A 70 12.657 31.671 4.101 1.00 0.00 C ATOM 1115 C ARG A 70 13.752 32.098 5.057 1.00 0.00 C ATOM 1116 O ARG A 70 13.493 32.597 6.134 1.00 0.00 O ATOM 1117 CB ARG A 70 12.441 32.788 3.080 1.00 0.00 C ATOM 1118 CG ARG A 70 11.806 33.980 3.788 1.00 0.00 C ATOM 1119 CD ARG A 70 12.888 34.813 4.488 1.00 0.00 C ATOM 1120 NE ARG A 70 12.777 36.229 4.035 1.00 0.00 N ATOM 1121 CZ ARG A 70 11.825 36.983 4.512 1.00 0.00 C ATOM 1122 NH1 ARG A 70 10.724 36.420 4.933 1.00 0.00 N ATOM 1123 NH2 ARG A 70 12.004 38.275 4.555 1.00 0.00 N ATOM 0 H ARG A 70 11.182 32.005 5.592 1.00 0.00 H new ATOM 0 HA ARG A 70 12.978 30.740 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.391 33.078 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.797 32.442 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.269 34.598 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.074 33.633 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.769 34.753 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.877 34.419 4.254 1.00 0.00 H new ATOM 0 HE ARG A 70 13.440 36.605 3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.619 35.407 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.969 36.994 5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.878 38.680 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.270 38.879 4.925 1.00 0.00 H new ATOM 1137 N ALA A 71 14.969 31.880 4.624 1.00 0.00 N ATOM 1138 CA ALA A 71 16.134 32.244 5.449 1.00 0.00 C ATOM 1139 C ALA A 71 17.169 33.003 4.616 1.00 0.00 C ATOM 1140 O ALA A 71 17.207 32.889 3.394 1.00 0.00 O ATOM 1141 CB ALA A 71 16.773 30.953 5.980 1.00 0.00 C ATOM 0 H ALA A 71 15.195 31.460 3.722 1.00 0.00 H new ATOM 0 HA ALA A 71 15.808 32.884 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.639 31.201 6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.046 30.408 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.089 30.332 5.142 1.00 0.00 H new ATOM 1147 N ARG A 72 17.978 33.779 5.286 1.00 0.00 N ATOM 1148 CA ARG A 72 19.016 34.556 4.566 1.00 0.00 C ATOM 1149 C ARG A 72 20.121 33.638 4.057 1.00 0.00 C ATOM 1150 O ARG A 72 20.677 32.945 4.892 1.00 0.00 O ATOM 1151 CB ARG A 72 19.630 35.566 5.547 1.00 0.00 C ATOM 1152 CG ARG A 72 18.507 36.274 6.306 1.00 0.00 C ATOM 1153 CD ARG A 72 17.699 37.122 5.323 1.00 0.00 C ATOM 1154 NE ARG A 72 17.066 38.248 6.064 1.00 0.00 N ATOM 1155 CZ ARG A 72 17.779 39.299 6.363 1.00 0.00 C ATOM 1156 NH1 ARG A 72 18.644 39.743 5.494 1.00 0.00 N ATOM 1157 NH2 ARG A 72 17.603 39.869 7.523 1.00 0.00 N ATOM 1158 OXT ARG A 72 20.350 33.680 2.859 1.00 0.00 O ATOM 0 H ARG A 72 17.962 33.905 6.298 1.00 0.00 H new ATOM 0 HA ARG A 72 18.558 35.061 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.293 35.056 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.236 36.294 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.861 35.542 6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.923 36.903 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.347 37.506 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.936 36.513 4.839 1.00 0.00 H new ATOM 0 HE ARG A 72 16.084 38.198 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.755 39.270 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.210 40.563 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.918 39.492 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.151 40.692 7.775 1.00 0.00 H new