USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, 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 Set 1.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.1) USER MOD Set 2.1: A 28 MET CE :methyl 175:sc= 0 (180deg=0) USER MOD Set 2.2: A 75 HIS : no HE2:sc= -0.0119 K(o=-0.012,f=-0.93) USER MOD Single : A 7 THR OG1 : rot -23:sc= 0.37 USER MOD Single : A 8 ASN : amide:sc= -0.147 K(o=-0.15,f=-7.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00359 USER MOD Single : A 13 HIS : no HE2:sc= 0.00937 K(o=0.0094,f=-1.6) USER MOD Single : A 14 MET CE :methyl -169:sc= 0 (180deg=-0.0249) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.694 USER MOD Single : A 33 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.21) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.36) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 132:sc= -0.0637 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.236 K(o=-0.24,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 7.351 11.094 -1.976 1.00 0.00 N ATOM 102 CA THR A 7 7.105 11.093 -3.415 1.00 0.00 C ATOM 103 C THR A 7 6.506 9.785 -3.943 1.00 0.00 C ATOM 104 O THR A 7 6.808 8.695 -3.453 1.00 0.00 O ATOM 105 CB THR A 7 8.413 11.470 -4.145 1.00 0.00 C ATOM 106 OG1 THR A 7 9.552 10.853 -3.557 1.00 0.00 O ATOM 107 CG2 THR A 7 8.653 12.983 -4.103 1.00 0.00 C ATOM 0 HA THR A 7 6.339 11.840 -3.622 1.00 0.00 H new ATOM 0 HB THR A 7 8.289 11.122 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.353 10.618 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.581 13.219 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.823 13.497 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.726 13.311 -3.066 1.00 0.00 H new ATOM 115 N ASN A 8 5.658 9.926 -4.963 1.00 0.00 N ATOM 116 CA ASN A 8 5.121 8.856 -5.807 1.00 0.00 C ATOM 117 C ASN A 8 5.571 9.211 -7.220 1.00 0.00 C ATOM 118 O ASN A 8 5.516 10.389 -7.587 1.00 0.00 O ATOM 119 CB ASN A 8 3.594 8.777 -5.687 1.00 0.00 C ATOM 120 CG ASN A 8 3.019 7.498 -6.293 1.00 0.00 C ATOM 121 OD1 ASN A 8 3.663 6.816 -7.074 1.00 0.00 O ATOM 122 ND2 ASN A 8 1.801 7.133 -5.920 1.00 0.00 N ATOM 0 H ASN A 8 5.307 10.843 -5.239 1.00 0.00 H new ATOM 0 HA ASN A 8 5.482 7.870 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.313 8.834 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.150 9.640 -6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.392 6.274 -6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.273 7.711 -5.267 1.00 0.00 H new ATOM 129 N THR A 9 6.040 8.227 -7.976 1.00 0.00 N ATOM 130 CA THR A 9 6.700 8.444 -9.255 1.00 0.00 C ATOM 131 C THR A 9 6.069 7.543 -10.305 1.00 0.00 C ATOM 132 O THR A 9 5.758 6.380 -10.041 1.00 0.00 O ATOM 133 CB THR A 9 8.225 8.238 -9.136 1.00 0.00 C ATOM 134 OG1 THR A 9 8.747 9.108 -8.147 1.00 0.00 O ATOM 135 CG2 THR A 9 8.965 8.420 -10.470 1.00 0.00 C ATOM 0 H THR A 9 5.971 7.244 -7.714 1.00 0.00 H new ATOM 0 HA THR A 9 6.559 9.478 -9.569 1.00 0.00 H new ATOM 0 HB THR A 9 8.390 7.202 -8.840 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.715 8.974 -8.072 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.033 8.262 -10.318 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.591 7.698 -11.195 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.797 9.430 -10.844 1.00 0.00 H new ATOM 143 N TRP A 10 5.957 8.082 -11.515 1.00 0.00 N ATOM 144 CA TRP A 10 5.466 7.414 -12.704 1.00 0.00 C ATOM 145 C TRP A 10 6.385 7.794 -13.860 1.00 0.00 C ATOM 146 O TRP A 10 7.073 8.812 -13.808 1.00 0.00 O ATOM 147 CB TRP A 10 4.022 7.866 -12.959 1.00 0.00 C ATOM 148 CG TRP A 10 3.084 7.623 -11.820 1.00 0.00 C ATOM 149 CD1 TRP A 10 2.387 6.492 -11.607 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.700 8.522 -10.743 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.598 6.623 -10.483 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.718 7.882 -9.932 1.00 0.00 C ATOM 153 CE3 TRP A 10 3.050 9.843 -10.410 1.00 0.00 C ATOM 154 CZ2 TRP A 10 1.084 8.539 -8.866 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.412 10.518 -9.358 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.425 9.874 -8.586 1.00 0.00 C ATOM 0 H TRP A 10 6.222 9.050 -11.697 1.00 0.00 H new ATOM 0 HA TRP A 10 5.466 6.330 -12.592 1.00 0.00 H new ATOM 0 HB2 TRP A 10 4.024 8.931 -13.190 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.644 7.349 -13.841 1.00 0.00 H new ATOM 0 HD1 TRP A 10 2.438 5.609 -12.227 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.003 5.884 -10.108 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.822 10.346 -10.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.344 8.026 -8.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.680 11.541 -9.138 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.933 10.403 -7.783 1.00 0.00 H new ATOM 167 N VAL A 11 6.381 6.998 -14.917 1.00 0.00 N ATOM 168 CA VAL A 11 7.021 7.317 -16.184 1.00 0.00 C ATOM 169 C VAL A 11 6.009 7.104 -17.312 1.00 0.00 C ATOM 170 O VAL A 11 5.203 6.170 -17.260 1.00 0.00 O ATOM 171 CB VAL A 11 8.351 6.548 -16.322 1.00 0.00 C ATOM 172 CG1 VAL A 11 8.162 5.022 -16.341 1.00 0.00 C ATOM 173 CG2 VAL A 11 9.154 7.011 -17.551 1.00 0.00 C ATOM 0 H VAL A 11 5.920 6.088 -14.918 1.00 0.00 H new ATOM 0 HA VAL A 11 7.313 8.366 -16.238 1.00 0.00 H new ATOM 0 HB VAL A 11 8.926 6.787 -15.427 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.133 4.536 -16.440 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.689 4.702 -15.412 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.530 4.744 -17.184 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.084 6.445 -17.612 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.567 6.843 -18.454 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.381 8.073 -17.458 1.00 0.00 H new ATOM 183 N LEU A 12 6.031 7.982 -18.315 1.00 0.00 N ATOM 184 CA LEU A 12 5.109 7.999 -19.436 1.00 0.00 C ATOM 185 C LEU A 12 5.899 8.140 -20.727 1.00 0.00 C ATOM 186 O LEU A 12 6.701 9.064 -20.849 1.00 0.00 O ATOM 187 CB LEU A 12 4.143 9.192 -19.259 1.00 0.00 C ATOM 188 CG LEU A 12 2.673 8.861 -19.521 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.450 8.340 -20.940 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.158 7.862 -18.480 1.00 0.00 C ATOM 0 H LEU A 12 6.723 8.729 -18.365 1.00 0.00 H new ATOM 0 HA LEU A 12 4.534 7.074 -19.477 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.241 9.575 -18.243 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.448 9.993 -19.932 1.00 0.00 H new ATOM 0 HG LEU A 12 2.103 9.785 -19.428 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.393 8.117 -21.084 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.762 9.097 -21.659 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.036 7.433 -21.091 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.110 7.636 -18.680 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.744 6.945 -18.535 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.253 8.294 -17.484 1.00 0.00 H new ATOM 202 N HIS A 13 5.651 7.269 -21.701 1.00 0.00 N ATOM 203 CA HIS A 13 6.192 7.410 -23.040 1.00 0.00 C ATOM 204 C HIS A 13 5.291 8.353 -23.840 1.00 0.00 C ATOM 205 O HIS A 13 4.078 8.132 -23.902 1.00 0.00 O ATOM 206 CB HIS A 13 6.320 6.038 -23.725 1.00 0.00 C ATOM 207 CG HIS A 13 6.665 6.142 -25.190 1.00 0.00 C ATOM 208 ND1 HIS A 13 5.797 5.949 -26.243 1.00 0.00 N ATOM 209 CD2 HIS A 13 7.876 6.497 -25.726 1.00 0.00 C ATOM 210 CE1 HIS A 13 6.471 6.173 -27.383 1.00 0.00 C ATOM 211 NE2 HIS A 13 7.744 6.517 -27.121 1.00 0.00 N ATOM 0 H HIS A 13 5.065 6.443 -21.578 1.00 0.00 H new ATOM 0 HA HIS A 13 7.194 7.835 -22.988 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.088 5.454 -23.217 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.382 5.494 -23.616 1.00 0.00 H new ATOM 0 HD1 HIS A 13 4.815 5.683 -26.169 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.774 6.722 -25.170 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.049 6.088 -28.373 1.00 0.00 H new ATOM 219 N MET A 14 5.872 9.371 -24.476 1.00 0.00 N ATOM 220 CA MET A 14 5.205 10.263 -25.408 1.00 0.00 C ATOM 221 C MET A 14 6.196 10.637 -26.511 1.00 0.00 C ATOM 222 O MET A 14 7.308 11.077 -26.218 1.00 0.00 O ATOM 223 CB MET A 14 4.720 11.542 -24.706 1.00 0.00 C ATOM 224 CG MET A 14 3.699 11.336 -23.595 1.00 0.00 C ATOM 225 SD MET A 14 3.207 12.902 -22.833 1.00 0.00 S ATOM 226 CE MET A 14 1.954 12.240 -21.724 1.00 0.00 C ATOM 0 H MET A 14 6.857 9.600 -24.347 1.00 0.00 H new ATOM 0 HA MET A 14 4.334 9.755 -25.823 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.586 12.056 -24.289 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.286 12.204 -25.455 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.819 10.836 -23.999 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.118 10.678 -22.834 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.380 13.060 -21.292 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.286 11.583 -22.281 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.436 11.675 -20.926 1.00 0.00 H new ATOM 236 N ASP A 15 5.780 10.493 -27.774 1.00 0.00 N ATOM 237 CA ASP A 15 6.488 10.985 -28.964 1.00 0.00 C ATOM 238 C ASP A 15 7.989 10.634 -28.986 1.00 0.00 C ATOM 239 O ASP A 15 8.849 11.465 -29.293 1.00 0.00 O ATOM 240 CB ASP A 15 6.195 12.478 -29.185 1.00 0.00 C ATOM 241 CG ASP A 15 6.708 12.986 -30.548 1.00 0.00 C ATOM 242 OD1 ASP A 15 6.536 12.281 -31.574 1.00 0.00 O ATOM 243 OD2 ASP A 15 7.224 14.129 -30.617 1.00 0.00 O ATOM 0 H ASP A 15 4.910 10.014 -28.005 1.00 0.00 H new ATOM 0 HA ASP A 15 6.091 10.446 -29.824 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.120 12.648 -29.119 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.659 13.058 -28.387 1.00 0.00 H new ATOM 248 N GLY A 16 8.312 9.382 -28.644 1.00 0.00 N ATOM 249 CA GLY A 16 9.672 8.853 -28.705 1.00 0.00 C ATOM 250 C GLY A 16 10.541 9.231 -27.499 1.00 0.00 C ATOM 251 O GLY A 16 11.730 8.900 -27.492 1.00 0.00 O ATOM 0 H GLY A 16 7.626 8.703 -28.314 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.626 7.767 -28.781 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.152 9.216 -29.614 1.00 0.00 H new ATOM 255 N GLU A 17 9.984 9.894 -26.483 1.00 0.00 N ATOM 256 CA GLU A 17 10.630 10.223 -25.225 1.00 0.00 C ATOM 257 C GLU A 17 9.883 9.562 -24.065 1.00 0.00 C ATOM 258 O GLU A 17 8.712 9.202 -24.184 1.00 0.00 O ATOM 259 CB GLU A 17 10.738 11.746 -25.026 1.00 0.00 C ATOM 260 CG GLU A 17 11.860 12.327 -25.894 1.00 0.00 C ATOM 261 CD GLU A 17 12.049 13.836 -25.656 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.838 14.219 -24.758 1.00 0.00 O ATOM 263 OE2 GLU A 17 11.439 14.654 -26.390 1.00 0.00 O ATOM 0 H GLU A 17 9.022 10.230 -26.525 1.00 0.00 H new ATOM 0 HA GLU A 17 11.648 9.833 -25.250 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.790 12.220 -25.283 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.931 11.968 -23.976 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.793 11.806 -25.678 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.633 12.151 -26.946 1.00 0.00 H new ATOM 270 N ASN A 18 10.570 9.401 -22.931 1.00 0.00 N ATOM 271 CA ASN A 18 9.984 8.964 -21.674 1.00 0.00 C ATOM 272 C ASN A 18 10.115 10.105 -20.682 1.00 0.00 C ATOM 273 O ASN A 18 11.226 10.575 -20.427 1.00 0.00 O ATOM 274 CB ASN A 18 10.633 7.675 -21.150 1.00 0.00 C ATOM 275 CG ASN A 18 9.947 6.437 -21.718 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.957 5.962 -21.168 1.00 0.00 O ATOM 277 ND2 ASN A 18 10.429 5.907 -22.833 1.00 0.00 N ATOM 0 H ASN A 18 11.573 9.577 -22.866 1.00 0.00 H new ATOM 0 HA ASN A 18 8.933 8.719 -21.824 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.690 7.663 -21.418 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.580 7.655 -20.061 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.977 5.092 -23.247 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.252 6.314 -23.277 1.00 0.00 H new ATOM 284 N PHE A 19 8.990 10.540 -20.117 1.00 0.00 N ATOM 285 CA PHE A 19 8.931 11.630 -19.153 1.00 0.00 C ATOM 286 C PHE A 19 8.623 11.048 -17.782 1.00 0.00 C ATOM 287 O PHE A 19 7.660 10.293 -17.639 1.00 0.00 O ATOM 288 CB PHE A 19 7.865 12.653 -19.586 1.00 0.00 C ATOM 289 CG PHE A 19 8.030 13.225 -20.985 1.00 0.00 C ATOM 290 CD1 PHE A 19 9.301 13.591 -21.473 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.897 13.412 -21.803 1.00 0.00 C ATOM 292 CE1 PHE A 19 9.439 14.125 -22.763 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.036 13.974 -23.085 1.00 0.00 C ATOM 294 CZ PHE A 19 8.308 14.310 -23.574 1.00 0.00 C ATOM 0 H PHE A 19 8.077 10.134 -20.323 1.00 0.00 H new ATOM 0 HA PHE A 19 9.887 12.152 -19.106 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.885 12.179 -19.520 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.869 13.478 -18.873 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.173 13.460 -20.850 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.920 13.123 -21.444 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.417 14.394 -23.133 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.162 14.147 -23.695 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.416 14.710 -24.571 1.00 0.00 H new ATOM 304 N ARG A 20 9.422 11.385 -16.767 1.00 0.00 N ATOM 305 CA ARG A 20 9.089 11.066 -15.388 1.00 0.00 C ATOM 306 C ARG A 20 8.097 12.083 -14.860 1.00 0.00 C ATOM 307 O ARG A 20 8.138 13.260 -15.221 1.00 0.00 O ATOM 308 CB ARG A 20 10.339 10.945 -14.503 1.00 0.00 C ATOM 309 CG ARG A 20 11.057 9.617 -14.797 1.00 0.00 C ATOM 310 CD ARG A 20 11.435 8.904 -13.500 1.00 0.00 C ATOM 311 NE ARG A 20 12.184 7.657 -13.762 1.00 0.00 N ATOM 312 CZ ARG A 20 13.514 7.527 -13.897 1.00 0.00 C ATOM 313 NH1 ARG A 20 14.317 8.585 -13.816 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.040 6.325 -14.118 1.00 0.00 N ATOM 0 H ARG A 20 10.306 11.881 -16.881 1.00 0.00 H new ATOM 0 HA ARG A 20 8.619 10.083 -15.359 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.011 11.782 -14.691 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.057 10.992 -13.451 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.411 8.974 -15.395 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.953 9.806 -15.387 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.039 9.568 -12.882 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.532 8.675 -12.934 1.00 0.00 H new ATOM 0 HE ARG A 20 11.632 6.804 -13.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.925 9.512 -13.649 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.325 8.469 -13.921 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.434 5.507 -14.184 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.049 6.221 -14.221 1.00 0.00 H new ATOM 328 N ILE A 21 7.237 11.602 -13.978 1.00 0.00 N ATOM 329 CA ILE A 21 6.287 12.364 -13.194 1.00 0.00 C ATOM 330 C ILE A 21 6.651 12.027 -11.760 1.00 0.00 C ATOM 331 O ILE A 21 6.745 10.844 -11.443 1.00 0.00 O ATOM 332 CB ILE A 21 4.838 11.940 -13.494 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.519 11.998 -14.999 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.807 12.687 -12.622 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.503 13.376 -15.655 1.00 0.00 C ATOM 0 H ILE A 21 7.183 10.603 -13.780 1.00 0.00 H new ATOM 0 HA ILE A 21 6.334 13.431 -13.412 1.00 0.00 H new ATOM 0 HB ILE A 21 4.751 10.892 -13.208 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.250 11.382 -15.523 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.543 11.538 -15.156 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.802 12.349 -12.876 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.004 12.482 -11.570 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.886 13.759 -12.804 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.265 13.272 -16.714 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.750 13.999 -15.173 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.483 13.842 -15.547 1.00 0.00 H new ATOM 347 N VAL A 22 6.797 13.014 -10.888 1.00 0.00 N ATOM 348 CA VAL A 22 6.942 12.806 -9.468 1.00 0.00 C ATOM 349 C VAL A 22 5.953 13.746 -8.792 1.00 0.00 C ATOM 350 O VAL A 22 6.030 14.961 -8.950 1.00 0.00 O ATOM 351 CB VAL A 22 8.402 13.012 -9.020 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.558 12.658 -7.538 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.387 12.153 -9.826 1.00 0.00 C ATOM 0 H VAL A 22 6.817 13.997 -11.160 1.00 0.00 H new ATOM 0 HA VAL A 22 6.716 11.779 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 22 8.634 14.063 -9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.594 12.808 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.909 13.298 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.282 11.615 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.402 12.334 -9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.141 11.099 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.319 12.415 -10.882 1.00 0.00 H new ATOM 363 N LEU A 23 5.012 13.182 -8.046 1.00 0.00 N ATOM 364 CA LEU A 23 4.136 13.937 -7.167 1.00 0.00 C ATOM 365 C LEU A 23 4.839 14.061 -5.826 1.00 0.00 C ATOM 366 O LEU A 23 5.148 13.037 -5.218 1.00 0.00 O ATOM 367 CB LEU A 23 2.804 13.187 -7.003 1.00 0.00 C ATOM 368 CG LEU A 23 1.946 13.620 -5.787 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.383 15.035 -5.941 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.811 12.615 -5.576 1.00 0.00 C ATOM 0 H LEU A 23 4.836 12.177 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 23 3.923 14.924 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.215 13.324 -7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.014 12.121 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 23 2.596 13.633 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.790 15.288 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.204 15.744 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.753 15.081 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.209 12.921 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.185 12.581 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.230 11.626 -5.389 1.00 0.00 H new ATOM 382 N GLU A 24 5.070 15.284 -5.363 1.00 0.00 N ATOM 383 CA GLU A 24 5.497 15.552 -4.010 1.00 0.00 C ATOM 384 C GLU A 24 4.209 15.573 -3.195 1.00 0.00 C ATOM 385 O GLU A 24 3.343 16.425 -3.402 1.00 0.00 O ATOM 386 CB GLU A 24 6.275 16.880 -3.968 1.00 0.00 C ATOM 387 CG GLU A 24 7.661 16.611 -3.382 1.00 0.00 C ATOM 388 CD GLU A 24 7.628 16.121 -1.907 1.00 0.00 C ATOM 389 OE1 GLU A 24 6.646 16.422 -1.184 1.00 0.00 O ATOM 390 OE2 GLU A 24 8.595 15.450 -1.471 1.00 0.00 O ATOM 0 H GLU A 24 4.962 16.124 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 24 6.182 14.807 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.362 17.300 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.742 17.612 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.166 15.863 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.254 17.524 -3.440 1.00 0.00 H new ATOM 397 N LYS A 25 4.049 14.594 -2.311 1.00 0.00 N ATOM 398 CA LYS A 25 2.797 14.325 -1.609 1.00 0.00 C ATOM 399 C LYS A 25 2.492 15.388 -0.556 1.00 0.00 C ATOM 400 O LYS A 25 1.319 15.664 -0.305 1.00 0.00 O ATOM 401 CB LYS A 25 2.860 12.931 -0.980 1.00 0.00 C ATOM 402 CG LYS A 25 2.835 11.849 -2.072 1.00 0.00 C ATOM 403 CD LYS A 25 3.215 10.464 -1.540 1.00 0.00 C ATOM 404 CE LYS A 25 2.241 9.959 -0.456 1.00 0.00 C ATOM 405 NZ LYS A 25 2.550 8.572 0.001 1.00 0.00 N ATOM 0 H LYS A 25 4.800 13.952 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 25 1.982 14.360 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.768 12.835 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.018 12.792 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.838 11.804 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.522 12.128 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.233 9.754 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.224 10.501 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.275 10.634 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.224 9.990 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.864 8.285 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.491 7.919 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.510 8.544 0.400 1.00 0.00 H new ATOM 419 N ASP A 26 3.521 15.983 0.055 1.00 0.00 N ATOM 420 CA ASP A 26 3.330 16.965 1.118 1.00 0.00 C ATOM 421 C ASP A 26 2.765 18.265 0.543 1.00 0.00 C ATOM 422 O ASP A 26 1.792 18.814 1.067 1.00 0.00 O ATOM 423 CB ASP A 26 4.643 17.252 1.849 1.00 0.00 C ATOM 424 CG ASP A 26 4.409 18.293 2.955 1.00 0.00 C ATOM 425 OD1 ASP A 26 3.825 17.938 4.007 1.00 0.00 O ATOM 426 OD2 ASP A 26 4.821 19.467 2.789 1.00 0.00 O ATOM 0 H ASP A 26 4.498 15.798 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 26 2.622 16.548 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.038 16.332 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.389 17.619 1.144 1.00 0.00 H new ATOM 431 N ALA A 27 3.357 18.731 -0.563 1.00 0.00 N ATOM 432 CA ALA A 27 2.979 19.965 -1.230 1.00 0.00 C ATOM 433 C ALA A 27 1.843 19.763 -2.244 1.00 0.00 C ATOM 434 O ALA A 27 1.213 20.743 -2.650 1.00 0.00 O ATOM 435 CB ALA A 27 4.221 20.545 -1.919 1.00 0.00 C ATOM 0 H ALA A 27 4.127 18.245 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 27 2.599 20.660 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.956 21.473 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.990 20.746 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.600 19.829 -2.648 1.00 0.00 H new ATOM 441 N MET A 28 1.589 18.513 -2.655 1.00 0.00 N ATOM 442 CA MET A 28 0.710 18.152 -3.767 1.00 0.00 C ATOM 443 C MET A 28 1.130 18.914 -5.034 1.00 0.00 C ATOM 444 O MET A 28 0.294 19.438 -5.776 1.00 0.00 O ATOM 445 CB MET A 28 -0.784 18.224 -3.407 1.00 0.00 C ATOM 446 CG MET A 28 -1.129 17.295 -2.234 1.00 0.00 C ATOM 447 SD MET A 28 -2.880 16.833 -2.106 1.00 0.00 S ATOM 448 CE MET A 28 -2.961 15.573 -3.414 1.00 0.00 C ATOM 0 H MET A 28 2.007 17.699 -2.204 1.00 0.00 H new ATOM 0 HA MET A 28 0.840 17.094 -3.995 1.00 0.00 H new ATOM 0 HB2 MET A 28 -1.047 19.250 -3.149 1.00 0.00 H new ATOM 0 HB3 MET A 28 -1.382 17.950 -4.276 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.535 16.386 -2.324 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.829 17.781 -1.306 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.950 15.115 -3.417 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.775 16.040 -4.381 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.207 14.808 -3.229 1.00 0.00 H new ATOM 458 N ASP A 29 2.447 18.994 -5.259 1.00 0.00 N ATOM 459 CA ASP A 29 3.062 19.634 -6.417 1.00 0.00 C ATOM 460 C ASP A 29 3.592 18.539 -7.333 1.00 0.00 C ATOM 461 O ASP A 29 4.030 17.496 -6.835 1.00 0.00 O ATOM 462 CB ASP A 29 4.185 20.595 -5.997 1.00 0.00 C ATOM 463 CG ASP A 29 4.514 21.649 -7.073 1.00 0.00 C ATOM 464 OD1 ASP A 29 4.019 21.566 -8.222 1.00 0.00 O ATOM 465 OD2 ASP A 29 5.255 22.603 -6.739 1.00 0.00 O ATOM 0 H ASP A 29 3.133 18.600 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 29 2.320 20.235 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.895 21.102 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.083 20.019 -5.774 1.00 0.00 H new ATOM 470 N VAL A 30 3.548 18.738 -8.648 1.00 0.00 N ATOM 471 CA VAL A 30 3.950 17.732 -9.612 1.00 0.00 C ATOM 472 C VAL A 30 5.194 18.213 -10.370 1.00 0.00 C ATOM 473 O VAL A 30 5.181 19.233 -11.066 1.00 0.00 O ATOM 474 CB VAL A 30 2.738 17.309 -10.469 1.00 0.00 C ATOM 475 CG1 VAL A 30 2.374 18.259 -11.615 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.958 15.888 -11.003 1.00 0.00 C ATOM 0 H VAL A 30 3.229 19.609 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 30 4.267 16.808 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 30 1.880 17.349 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.510 17.867 -12.152 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.135 19.242 -11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.218 18.344 -12.299 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.102 15.590 -11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.860 15.865 -11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.069 15.198 -10.166 1.00 0.00 H new ATOM 486 N TRP A 31 6.289 17.475 -10.204 1.00 0.00 N ATOM 487 CA TRP A 31 7.503 17.602 -10.976 1.00 0.00 C ATOM 488 C TRP A 31 7.281 16.739 -12.220 1.00 0.00 C ATOM 489 O TRP A 31 7.222 15.514 -12.098 1.00 0.00 O ATOM 490 CB TRP A 31 8.694 17.098 -10.133 1.00 0.00 C ATOM 491 CG TRP A 31 8.737 17.465 -8.672 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.423 16.669 -7.622 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.184 18.710 -8.066 1.00 0.00 C ATOM 494 NE1 TRP A 31 8.666 17.324 -6.437 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.151 18.591 -6.647 1.00 0.00 C ATOM 496 CE3 TRP A 31 9.631 19.931 -8.590 1.00 0.00 C ATOM 497 CZ2 TRP A 31 9.564 19.625 -5.792 1.00 0.00 C ATOM 498 CZ3 TRP A 31 10.075 20.969 -7.750 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.041 20.821 -6.353 1.00 0.00 C ATOM 0 H TRP A 31 6.348 16.744 -9.495 1.00 0.00 H new ATOM 0 HA TRP A 31 7.728 18.631 -11.257 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.716 16.011 -10.204 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.609 17.466 -10.596 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.037 15.664 -7.704 1.00 0.00 H new ATOM 0 HE1 TRP A 31 8.505 16.918 -5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.635 20.078 -9.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.516 19.503 -4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.445 21.887 -8.183 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.380 21.623 -5.714 1.00 0.00 H new ATOM 510 N CYS A 32 7.149 17.326 -13.407 1.00 0.00 N ATOM 511 CA CYS A 32 7.062 16.581 -14.659 1.00 0.00 C ATOM 512 C CYS A 32 8.304 16.929 -15.476 1.00 0.00 C ATOM 513 O CYS A 32 8.610 18.108 -15.643 1.00 0.00 O ATOM 514 CB CYS A 32 5.763 16.933 -15.383 1.00 0.00 C ATOM 515 SG CYS A 32 4.346 16.556 -14.308 1.00 0.00 S ATOM 0 H CYS A 32 7.099 18.338 -13.527 1.00 0.00 H new ATOM 0 HA CYS A 32 7.036 15.504 -14.491 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.759 17.990 -15.651 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.688 16.368 -16.312 1.00 0.00 H new ATOM 0 HG CYS A 32 3.242 16.858 -14.924 1.00 0.00 H new ATOM 521 N ASN A 33 9.041 15.914 -15.940 1.00 0.00 N ATOM 522 CA ASN A 33 10.353 16.075 -16.590 1.00 0.00 C ATOM 523 C ASN A 33 11.290 16.983 -15.763 1.00 0.00 C ATOM 524 O ASN A 33 12.051 17.787 -16.298 1.00 0.00 O ATOM 525 CB ASN A 33 10.166 16.486 -18.066 1.00 0.00 C ATOM 526 CG ASN A 33 11.472 16.481 -18.867 1.00 0.00 C ATOM 527 OD1 ASN A 33 11.924 17.514 -19.356 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.092 15.320 -19.056 1.00 0.00 N ATOM 0 H ASN A 33 8.741 14.941 -15.875 1.00 0.00 H new ATOM 0 HA ASN A 33 10.874 15.118 -16.616 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.456 15.807 -18.538 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.728 17.483 -18.105 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.948 15.283 -19.610 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.712 14.466 -18.647 1.00 0.00 H new ATOM 535 N GLY A 34 11.207 16.870 -14.430 1.00 0.00 N ATOM 536 CA GLY A 34 12.060 17.594 -13.485 1.00 0.00 C ATOM 537 C GLY A 34 11.691 19.067 -13.268 1.00 0.00 C ATOM 538 O GLY A 34 12.427 19.757 -12.558 1.00 0.00 O ATOM 0 H GLY A 34 10.530 16.260 -13.972 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.026 17.082 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.090 17.542 -13.837 1.00 0.00 H new ATOM 542 N LYS A 35 10.582 19.569 -13.834 1.00 0.00 N ATOM 543 CA LYS A 35 10.131 20.960 -13.672 1.00 0.00 C ATOM 544 C LYS A 35 8.727 20.970 -13.074 1.00 0.00 C ATOM 545 O LYS A 35 7.939 20.065 -13.347 1.00 0.00 O ATOM 546 CB LYS A 35 10.140 21.688 -15.034 1.00 0.00 C ATOM 547 CG LYS A 35 11.506 21.774 -15.735 1.00 0.00 C ATOM 548 CD LYS A 35 12.541 22.615 -14.965 1.00 0.00 C ATOM 549 CE LYS A 35 13.905 22.681 -15.677 1.00 0.00 C ATOM 550 NZ LYS A 35 13.877 23.487 -16.929 1.00 0.00 N ATOM 0 H LYS A 35 9.965 19.012 -14.425 1.00 0.00 H new ATOM 0 HA LYS A 35 10.811 21.483 -13.000 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.442 21.182 -15.700 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.763 22.700 -14.887 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.899 20.767 -15.873 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.369 22.201 -16.728 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.156 23.626 -14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.676 22.194 -13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.642 23.106 -14.996 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.234 21.669 -15.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.824 23.492 -17.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.196 23.070 -17.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.592 24.462 -16.708 1.00 0.00 H new ATOM 564 N LYS A 36 8.384 21.986 -12.274 1.00 0.00 N ATOM 565 CA LYS A 36 7.002 22.185 -11.844 1.00 0.00 C ATOM 566 C LYS A 36 6.182 22.624 -13.055 1.00 0.00 C ATOM 567 O LYS A 36 6.684 23.386 -13.888 1.00 0.00 O ATOM 568 CB LYS A 36 6.912 23.246 -10.736 1.00 0.00 C ATOM 569 CG LYS A 36 7.685 22.867 -9.463 1.00 0.00 C ATOM 570 CD LYS A 36 8.359 24.079 -8.808 1.00 0.00 C ATOM 571 CE LYS A 36 7.402 25.205 -8.373 1.00 0.00 C ATOM 572 NZ LYS A 36 6.697 24.903 -7.101 1.00 0.00 N ATOM 0 H LYS A 36 9.042 22.677 -11.915 1.00 0.00 H new ATOM 0 HA LYS A 36 6.613 21.251 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.296 24.192 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.864 23.407 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.002 22.405 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.442 22.122 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.914 23.738 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.087 24.492 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.966 26.131 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.666 25.374 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.093 25.708 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.109 24.054 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.395 24.735 -6.349 1.00 0.00 H new ATOM 586 N LEU A 37 4.924 22.194 -13.140 1.00 0.00 N ATOM 587 CA LEU A 37 3.951 22.687 -14.104 1.00 0.00 C ATOM 588 C LEU A 37 2.607 22.933 -13.422 1.00 0.00 C ATOM 589 O LEU A 37 2.404 22.539 -12.270 1.00 0.00 O ATOM 590 CB LEU A 37 3.887 21.802 -15.351 1.00 0.00 C ATOM 591 CG LEU A 37 3.567 20.320 -15.140 1.00 0.00 C ATOM 592 CD1 LEU A 37 2.137 20.025 -14.685 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.821 19.593 -16.466 1.00 0.00 C ATOM 0 H LEU A 37 4.547 21.475 -12.523 1.00 0.00 H new ATOM 0 HA LEU A 37 4.276 23.657 -14.481 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.136 22.218 -16.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.846 21.871 -15.864 1.00 0.00 H new ATOM 0 HG LEU A 37 4.210 19.974 -14.331 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.008 18.949 -14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.948 20.523 -13.734 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.434 20.392 -15.433 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.601 18.532 -16.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.178 20.012 -17.240 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.865 19.717 -16.755 1.00 0.00 H new ATOM 605 N GLU A 38 1.712 23.634 -14.113 1.00 0.00 N ATOM 606 CA GLU A 38 0.436 24.060 -13.572 1.00 0.00 C ATOM 607 C GLU A 38 -0.482 22.860 -13.311 1.00 0.00 C ATOM 608 O GLU A 38 -0.549 21.918 -14.103 1.00 0.00 O ATOM 609 CB GLU A 38 -0.232 25.145 -14.438 1.00 0.00 C ATOM 610 CG GLU A 38 -0.389 24.818 -15.935 1.00 0.00 C ATOM 611 CD GLU A 38 0.821 25.282 -16.772 1.00 0.00 C ATOM 612 OE1 GLU A 38 1.859 24.579 -16.791 1.00 0.00 O ATOM 613 OE2 GLU A 38 0.737 26.356 -17.417 1.00 0.00 O ATOM 0 H GLU A 38 1.861 23.924 -15.080 1.00 0.00 H new ATOM 0 HA GLU A 38 0.628 24.529 -12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.220 25.351 -14.027 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.349 26.062 -14.347 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.520 23.743 -16.057 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.293 25.294 -16.315 1.00 0.00 H new ATOM 620 N THR A 39 -1.208 22.922 -12.197 1.00 0.00 N ATOM 621 CA THR A 39 -2.138 21.905 -11.724 1.00 0.00 C ATOM 622 C THR A 39 -3.408 22.604 -11.221 1.00 0.00 C ATOM 623 O THR A 39 -3.355 23.752 -10.762 1.00 0.00 O ATOM 624 CB THR A 39 -1.476 21.033 -10.636 1.00 0.00 C ATOM 625 OG1 THR A 39 -0.559 21.750 -9.818 1.00 0.00 O ATOM 626 CG2 THR A 39 -0.749 19.827 -11.243 1.00 0.00 C ATOM 0 H THR A 39 -1.159 23.725 -11.570 1.00 0.00 H new ATOM 0 HA THR A 39 -2.412 21.231 -12.535 1.00 0.00 H new ATOM 0 HB THR A 39 -2.300 20.695 -10.008 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.175 21.145 -9.149 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.296 19.237 -10.447 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.462 19.210 -11.791 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.028 20.175 -11.924 1.00 0.00 H new ATOM 634 N ALA A 40 -4.545 21.910 -11.293 1.00 0.00 N ATOM 635 CA ALA A 40 -5.808 22.316 -10.684 1.00 0.00 C ATOM 636 C ALA A 40 -6.350 21.105 -9.943 1.00 0.00 C ATOM 637 O ALA A 40 -6.292 20.002 -10.483 1.00 0.00 O ATOM 638 CB ALA A 40 -6.794 22.802 -11.750 1.00 0.00 C ATOM 0 H ALA A 40 -4.612 21.023 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.659 23.149 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.728 23.099 -11.273 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.368 23.656 -12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.989 21.998 -12.459 1.00 0.00 H new ATOM 644 N GLY A 41 -6.843 21.290 -8.721 1.00 0.00 N ATOM 645 CA GLY A 41 -7.297 20.215 -7.856 1.00 0.00 C ATOM 646 C GLY A 41 -8.810 20.217 -7.910 1.00 0.00 C ATOM 647 O GLY A 41 -9.448 21.013 -7.215 1.00 0.00 O ATOM 0 H GLY A 41 -6.938 22.214 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.900 19.257 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.947 20.367 -6.835 1.00 0.00 H new ATOM 651 N GLU A 42 -9.383 19.380 -8.772 1.00 0.00 N ATOM 652 CA GLU A 42 -10.817 19.234 -8.881 1.00 0.00 C ATOM 653 C GLU A 42 -11.280 18.239 -7.819 1.00 0.00 C ATOM 654 O GLU A 42 -10.578 17.268 -7.526 1.00 0.00 O ATOM 655 CB GLU A 42 -11.161 18.769 -10.299 1.00 0.00 C ATOM 656 CG GLU A 42 -12.655 18.641 -10.584 1.00 0.00 C ATOM 657 CD GLU A 42 -13.421 19.960 -10.362 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.770 20.271 -9.197 1.00 0.00 O ATOM 659 OE2 GLU A 42 -13.679 20.693 -11.349 1.00 0.00 O ATOM 0 H GLU A 42 -8.857 18.786 -9.413 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.331 20.180 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.728 19.471 -11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.687 17.803 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.797 18.313 -11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.078 17.868 -9.942 1.00 0.00 H new ATOM 666 N PHE A 43 -12.467 18.449 -7.263 1.00 0.00 N ATOM 667 CA PHE A 43 -13.046 17.571 -6.254 1.00 0.00 C ATOM 668 C PHE A 43 -14.188 16.781 -6.882 1.00 0.00 C ATOM 669 O PHE A 43 -15.002 17.335 -7.627 1.00 0.00 O ATOM 670 CB PHE A 43 -13.488 18.367 -5.022 1.00 0.00 C ATOM 671 CG PHE A 43 -12.335 19.011 -4.271 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.474 18.216 -3.487 1.00 0.00 C ATOM 673 CD2 PHE A 43 -12.105 20.397 -4.366 1.00 0.00 C ATOM 674 CE1 PHE A 43 -10.394 18.803 -2.804 1.00 0.00 C ATOM 675 CE2 PHE A 43 -11.025 20.982 -3.682 1.00 0.00 C ATOM 676 CZ PHE A 43 -10.168 20.186 -2.901 1.00 0.00 C ATOM 0 H PHE A 43 -13.061 19.243 -7.503 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.295 16.863 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -14.188 19.143 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -14.027 17.704 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.645 17.152 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -12.760 21.012 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.738 18.190 -2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.853 22.046 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.338 20.637 -2.377 1.00 0.00 H new ATOM 686 N VAL A 44 -14.243 15.485 -6.583 1.00 0.00 N ATOM 687 CA VAL A 44 -15.149 14.528 -7.185 1.00 0.00 C ATOM 688 C VAL A 44 -15.757 13.636 -6.106 1.00 0.00 C ATOM 689 O VAL A 44 -15.268 13.576 -4.976 1.00 0.00 O ATOM 690 CB VAL A 44 -14.397 13.704 -8.251 1.00 0.00 C ATOM 691 CG1 VAL A 44 -14.389 14.447 -9.587 1.00 0.00 C ATOM 692 CG2 VAL A 44 -12.974 13.288 -7.851 1.00 0.00 C ATOM 0 H VAL A 44 -13.630 15.063 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.967 15.052 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.951 12.770 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.855 13.854 -10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.414 14.608 -9.920 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.892 15.409 -9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.522 12.713 -8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.375 14.178 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.014 12.677 -6.949 1.00 0.00 H new ATOM 702 N ASP A 45 -16.795 12.890 -6.488 1.00 0.00 N ATOM 703 CA ASP A 45 -17.492 11.914 -5.644 1.00 0.00 C ATOM 704 C ASP A 45 -16.676 10.612 -5.537 1.00 0.00 C ATOM 705 O ASP A 45 -17.140 9.506 -5.823 1.00 0.00 O ATOM 706 CB ASP A 45 -18.930 11.697 -6.139 1.00 0.00 C ATOM 707 CG ASP A 45 -19.735 10.767 -5.210 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.628 10.899 -3.964 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.528 9.936 -5.719 1.00 0.00 O ATOM 0 H ASP A 45 -17.189 12.950 -7.427 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.576 12.307 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.436 12.660 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.906 11.272 -7.143 1.00 0.00 H new ATOM 714 N ASP A 46 -15.394 10.782 -5.222 1.00 0.00 N ATOM 715 CA ASP A 46 -14.332 9.782 -5.238 1.00 0.00 C ATOM 716 C ASP A 46 -13.154 10.252 -4.372 1.00 0.00 C ATOM 717 O ASP A 46 -12.533 9.451 -3.669 1.00 0.00 O ATOM 718 CB ASP A 46 -13.858 9.607 -6.687 1.00 0.00 C ATOM 719 CG ASP A 46 -12.606 8.725 -6.787 1.00 0.00 C ATOM 720 OD1 ASP A 46 -12.757 7.493 -6.956 1.00 0.00 O ATOM 721 OD2 ASP A 46 -11.483 9.282 -6.763 1.00 0.00 O ATOM 0 H ASP A 46 -15.045 11.694 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.706 8.838 -4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.660 9.165 -7.278 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.646 10.585 -7.118 1.00 0.00 H new ATOM 726 N GLY A 47 -12.870 11.557 -4.380 1.00 0.00 N ATOM 727 CA GLY A 47 -11.713 12.149 -3.740 1.00 0.00 C ATOM 728 C GLY A 47 -11.346 13.402 -4.526 1.00 0.00 C ATOM 729 O GLY A 47 -12.210 14.258 -4.746 1.00 0.00 O ATOM 0 H GLY A 47 -13.462 12.243 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.935 12.398 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.880 11.446 -3.728 1.00 0.00 H new ATOM 733 N THR A 48 -10.106 13.485 -5.001 1.00 0.00 N ATOM 734 CA THR A 48 -9.600 14.642 -5.720 1.00 0.00 C ATOM 735 C THR A 48 -9.003 14.146 -7.036 1.00 0.00 C ATOM 736 O THR A 48 -8.508 13.020 -7.115 1.00 0.00 O ATOM 737 CB THR A 48 -8.576 15.417 -4.862 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.943 15.407 -3.484 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.400 16.877 -5.291 1.00 0.00 C ATOM 0 H THR A 48 -9.419 12.739 -4.894 1.00 0.00 H new ATOM 0 HA THR A 48 -10.403 15.347 -5.935 1.00 0.00 H new ATOM 0 HB THR A 48 -7.631 14.896 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.277 15.903 -2.964 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.667 17.360 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.054 16.914 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.354 17.398 -5.209 1.00 0.00 H new ATOM 747 N GLU A 49 -9.027 14.983 -8.064 1.00 0.00 N ATOM 748 CA GLU A 49 -8.382 14.752 -9.337 1.00 0.00 C ATOM 749 C GLU A 49 -7.561 16.003 -9.634 1.00 0.00 C ATOM 750 O GLU A 49 -8.112 17.065 -9.922 1.00 0.00 O ATOM 751 CB GLU A 49 -9.407 14.391 -10.428 1.00 0.00 C ATOM 752 CG GLU A 49 -9.880 12.940 -10.230 1.00 0.00 C ATOM 753 CD GLU A 49 -10.976 12.451 -11.203 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.463 13.208 -12.078 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.377 11.269 -11.061 1.00 0.00 O ATOM 0 H GLU A 49 -9.518 15.876 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.717 13.888 -9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.257 15.071 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.959 14.507 -11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.017 12.281 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.252 12.835 -9.211 1.00 0.00 H new ATOM 762 N THR A 50 -6.238 15.898 -9.502 1.00 0.00 N ATOM 763 CA THR A 50 -5.331 16.996 -9.806 1.00 0.00 C ATOM 764 C THR A 50 -5.028 16.921 -11.300 1.00 0.00 C ATOM 765 O THR A 50 -4.251 16.061 -11.706 1.00 0.00 O ATOM 766 CB THR A 50 -4.088 16.925 -8.907 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.457 17.200 -7.567 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.987 17.906 -9.331 1.00 0.00 C ATOM 0 H THR A 50 -5.770 15.050 -9.182 1.00 0.00 H new ATOM 0 HA THR A 50 -5.773 17.970 -9.594 1.00 0.00 H new ATOM 0 HB THR A 50 -3.684 15.917 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.664 17.153 -6.993 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.135 17.809 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.672 17.681 -10.350 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.371 18.925 -9.286 1.00 0.00 H new ATOM 776 N HIS A 51 -5.667 17.764 -12.109 1.00 0.00 N ATOM 777 CA HIS A 51 -5.575 17.751 -13.565 1.00 0.00 C ATOM 778 C HIS A 51 -4.366 18.562 -14.034 1.00 0.00 C ATOM 779 O HIS A 51 -4.033 19.579 -13.420 1.00 0.00 O ATOM 780 CB HIS A 51 -6.866 18.313 -14.183 1.00 0.00 C ATOM 781 CG HIS A 51 -8.079 17.431 -14.009 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.447 16.388 -14.833 1.00 0.00 N ATOM 783 CD2 HIS A 51 -9.059 17.553 -13.056 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.605 15.883 -14.371 1.00 0.00 C ATOM 785 NE2 HIS A 51 -10.029 16.570 -13.296 1.00 0.00 N ATOM 0 H HIS A 51 -6.282 18.497 -11.757 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.447 16.720 -13.895 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.073 19.286 -13.738 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.702 18.478 -15.248 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.079 18.281 -12.258 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.123 15.041 -14.805 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.884 16.409 -12.763 1.00 0.00 H new ATOM 793 N PHE A 52 -3.736 18.123 -15.125 1.00 0.00 N ATOM 794 CA PHE A 52 -2.702 18.828 -15.881 1.00 0.00 C ATOM 795 C PHE A 52 -2.676 18.254 -17.313 1.00 0.00 C ATOM 796 O PHE A 52 -3.497 17.400 -17.650 1.00 0.00 O ATOM 797 CB PHE A 52 -1.338 18.736 -15.167 1.00 0.00 C ATOM 798 CG PHE A 52 -0.832 17.360 -14.772 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.314 16.756 -13.594 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.187 16.727 -15.512 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.782 15.537 -13.151 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.725 15.505 -15.055 1.00 0.00 C ATOM 803 CZ PHE A 52 0.248 14.917 -13.874 1.00 0.00 C ATOM 0 H PHE A 52 -3.948 17.210 -15.528 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.928 19.893 -15.941 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.590 19.193 -15.815 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.392 19.344 -14.264 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.099 17.236 -13.028 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.554 17.175 -16.424 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.165 15.075 -12.253 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.509 15.020 -15.618 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.673 13.989 -13.522 1.00 0.00 H new ATOM 813 N SER A 53 -1.748 18.706 -18.159 1.00 0.00 N ATOM 814 CA SER A 53 -1.552 18.199 -19.516 1.00 0.00 C ATOM 815 C SER A 53 -0.069 18.270 -19.866 1.00 0.00 C ATOM 816 O SER A 53 0.649 19.134 -19.352 1.00 0.00 O ATOM 817 CB SER A 53 -2.365 18.993 -20.556 1.00 0.00 C ATOM 818 OG SER A 53 -3.751 19.044 -20.234 1.00 0.00 O ATOM 0 H SER A 53 -1.098 19.452 -17.912 1.00 0.00 H new ATOM 0 HA SER A 53 -1.904 17.168 -19.543 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.972 20.008 -20.623 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.239 18.537 -21.538 1.00 0.00 H new ATOM 0 HG SER A 53 -4.227 19.558 -20.919 1.00 0.00 H new ATOM 824 N ILE A 54 0.383 17.361 -20.730 1.00 0.00 N ATOM 825 CA ILE A 54 1.751 17.263 -21.220 1.00 0.00 C ATOM 826 C ILE A 54 1.601 16.988 -22.716 1.00 0.00 C ATOM 827 O ILE A 54 0.926 16.032 -23.108 1.00 0.00 O ATOM 828 CB ILE A 54 2.522 16.152 -20.460 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.583 16.453 -18.944 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.952 16.002 -21.017 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.031 15.275 -18.085 1.00 0.00 C ATOM 0 H ILE A 54 -0.225 16.642 -21.123 1.00 0.00 H new ATOM 0 HA ILE A 54 2.339 18.165 -21.054 1.00 0.00 H new ATOM 0 HB ILE A 54 1.982 15.217 -20.608 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.265 17.287 -18.779 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.597 16.776 -18.610 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.475 15.218 -20.470 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.905 15.738 -22.074 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.488 16.944 -20.902 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.045 15.574 -17.037 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.337 14.444 -18.216 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.031 14.964 -18.387 1.00 0.00 H new ATOM 843 N GLY A 55 2.186 17.846 -23.556 1.00 0.00 N ATOM 844 CA GLY A 55 1.932 17.809 -24.990 1.00 0.00 C ATOM 845 C GLY A 55 0.431 17.983 -25.233 1.00 0.00 C ATOM 846 O GLY A 55 -0.203 18.863 -24.641 1.00 0.00 O ATOM 0 H GLY A 55 2.838 18.573 -23.263 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.489 18.600 -25.492 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.274 16.863 -25.409 1.00 0.00 H new ATOM 850 N ASN A 56 -0.145 17.116 -26.068 1.00 0.00 N ATOM 851 CA ASN A 56 -1.575 17.100 -26.379 1.00 0.00 C ATOM 852 C ASN A 56 -2.384 16.247 -25.384 1.00 0.00 C ATOM 853 O ASN A 56 -3.610 16.188 -25.483 1.00 0.00 O ATOM 854 CB ASN A 56 -1.751 16.598 -27.825 1.00 0.00 C ATOM 855 CG ASN A 56 -3.196 16.678 -28.316 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.849 15.659 -28.535 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.720 17.879 -28.538 1.00 0.00 N ATOM 0 H ASN A 56 0.380 16.391 -26.557 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.968 18.112 -26.286 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.116 17.186 -28.487 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.409 15.565 -27.889 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.672 17.962 -28.893 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.170 18.718 -28.353 1.00 0.00 H new ATOM 864 N HIS A 57 -1.728 15.567 -24.435 1.00 0.00 N ATOM 865 CA HIS A 57 -2.354 14.561 -23.581 1.00 0.00 C ATOM 866 C HIS A 57 -2.712 15.187 -22.238 1.00 0.00 C ATOM 867 O HIS A 57 -1.859 15.821 -21.616 1.00 0.00 O ATOM 868 CB HIS A 57 -1.411 13.364 -23.382 1.00 0.00 C ATOM 869 CG HIS A 57 -0.854 12.801 -24.667 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.524 12.026 -25.591 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.412 12.997 -25.147 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.676 11.762 -26.602 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.524 12.333 -26.379 1.00 0.00 N ATOM 0 H HIS A 57 -0.736 15.705 -24.240 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.264 14.200 -24.061 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.583 13.669 -22.742 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.948 12.576 -22.854 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.192 13.565 -24.661 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.923 11.173 -27.473 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.346 12.291 -26.982 1.00 0.00 H new ATOM 881 N ASP A 58 -3.946 15.003 -21.772 1.00 0.00 N ATOM 882 CA ASP A 58 -4.307 15.371 -20.407 1.00 0.00 C ATOM 883 C ASP A 58 -3.882 14.255 -19.458 1.00 0.00 C ATOM 884 O ASP A 58 -3.821 13.073 -19.831 1.00 0.00 O ATOM 885 CB ASP A 58 -5.786 15.722 -20.236 1.00 0.00 C ATOM 886 CG ASP A 58 -6.648 14.491 -19.896 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.076 13.778 -20.833 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.919 14.257 -18.695 1.00 0.00 O ATOM 0 H ASP A 58 -4.709 14.603 -22.318 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.771 16.288 -20.162 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.891 16.465 -19.445 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.156 16.179 -21.154 1.00 0.00 H new ATOM 893 N CYS A 59 -3.585 14.640 -18.224 1.00 0.00 N ATOM 894 CA CYS A 59 -3.189 13.768 -17.138 1.00 0.00 C ATOM 895 C CYS A 59 -3.963 14.203 -15.900 1.00 0.00 C ATOM 896 O CYS A 59 -4.261 15.390 -15.749 1.00 0.00 O ATOM 897 CB CYS A 59 -1.694 13.899 -16.823 1.00 0.00 C ATOM 898 SG CYS A 59 -0.673 14.048 -18.318 1.00 0.00 S ATOM 0 H CYS A 59 -3.617 15.620 -17.944 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.394 12.736 -17.422 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.535 14.773 -16.191 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.370 13.029 -16.252 1.00 0.00 H new ATOM 0 HG CYS A 59 0.164 15.033 -18.176 1.00 0.00 H new ATOM 904 N TYR A 60 -4.248 13.287 -14.983 1.00 0.00 N ATOM 905 CA TYR A 60 -4.756 13.673 -13.687 1.00 0.00 C ATOM 906 C TYR A 60 -4.239 12.721 -12.632 1.00 0.00 C ATOM 907 O TYR A 60 -4.157 11.521 -12.865 1.00 0.00 O ATOM 908 CB TYR A 60 -6.278 13.851 -13.688 1.00 0.00 C ATOM 909 CG TYR A 60 -7.151 12.620 -13.859 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.304 11.700 -12.806 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.886 12.442 -15.046 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.182 10.611 -12.933 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.817 11.391 -15.157 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.975 10.472 -14.094 1.00 0.00 C ATOM 915 OH TYR A 60 -9.838 9.416 -14.185 1.00 0.00 O ATOM 0 H TYR A 60 -4.135 12.282 -15.117 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.376 14.663 -13.433 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.557 14.327 -12.748 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.530 14.549 -14.486 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.742 11.832 -11.893 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.735 13.115 -15.877 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.251 9.879 -12.142 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.410 11.287 -16.054 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.315 9.456 -15.040 1.00 0.00 H new ATOM 925 N ILE A 61 -3.882 13.236 -11.459 1.00 0.00 N ATOM 926 CA ILE A 61 -3.585 12.386 -10.319 1.00 0.00 C ATOM 927 C ILE A 61 -4.928 12.175 -9.639 1.00 0.00 C ATOM 928 O ILE A 61 -5.514 13.134 -9.141 1.00 0.00 O ATOM 929 CB ILE A 61 -2.506 13.020 -9.426 1.00 0.00 C ATOM 930 CG1 ILE A 61 -1.142 12.942 -10.148 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.420 12.343 -8.045 1.00 0.00 C ATOM 932 CD1 ILE A 61 -0.171 14.020 -9.659 1.00 0.00 C ATOM 0 H ILE A 61 -3.793 14.236 -11.277 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.152 11.424 -10.592 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.779 14.061 -9.251 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.702 11.958 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.294 13.051 -11.222 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.644 12.826 -7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.378 12.436 -7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.177 11.288 -8.171 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.774 13.928 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.598 15.006 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.003 13.895 -8.590 1.00 0.00 H new ATOM 944 N LYS A 62 -5.423 10.942 -9.642 1.00 0.00 N ATOM 945 CA LYS A 62 -6.583 10.545 -8.861 1.00 0.00 C ATOM 946 C LYS A 62 -6.062 10.361 -7.450 1.00 0.00 C ATOM 947 O LYS A 62 -5.092 9.630 -7.259 1.00 0.00 O ATOM 948 CB LYS A 62 -7.166 9.242 -9.445 1.00 0.00 C ATOM 949 CG LYS A 62 -8.687 9.128 -9.287 1.00 0.00 C ATOM 950 CD LYS A 62 -9.193 7.841 -9.967 1.00 0.00 C ATOM 951 CE LYS A 62 -10.724 7.716 -9.931 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.411 8.527 -10.978 1.00 0.00 N ATOM 0 H LYS A 62 -5.023 10.183 -10.194 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.390 11.277 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.913 9.183 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.693 8.390 -8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.951 9.118 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.173 9.998 -9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.855 7.825 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.750 6.976 -9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.998 6.668 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.083 8.025 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.430 8.320 -10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.261 9.538 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.022 8.289 -11.913 1.00 0.00 H new ATOM 966 N ALA A 63 -6.664 11.026 -6.480 1.00 0.00 N ATOM 967 CA ALA A 63 -6.337 10.906 -5.080 1.00 0.00 C ATOM 968 C ALA A 63 -7.632 10.487 -4.400 1.00 0.00 C ATOM 969 O ALA A 63 -8.468 11.320 -4.054 1.00 0.00 O ATOM 970 CB ALA A 63 -5.796 12.237 -4.561 1.00 0.00 C ATOM 0 H ALA A 63 -7.420 11.687 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.555 10.173 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.550 12.142 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.900 12.508 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.552 13.012 -4.690 1.00 0.00 H new ATOM 976 N VAL A 64 -7.834 9.182 -4.302 1.00 0.00 N ATOM 977 CA VAL A 64 -9.072 8.589 -3.841 1.00 0.00 C ATOM 978 C VAL A 64 -9.054 8.663 -2.326 1.00 0.00 C ATOM 979 O VAL A 64 -8.144 8.096 -1.732 1.00 0.00 O ATOM 980 CB VAL A 64 -9.179 7.113 -4.293 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.615 6.609 -4.119 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.720 6.887 -5.747 1.00 0.00 C ATOM 0 H VAL A 64 -7.123 8.493 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.928 9.121 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.502 6.545 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.677 5.569 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.902 6.682 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.289 7.216 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.820 5.832 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.337 7.482 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.677 7.187 -5.850 1.00 0.00 H new ATOM 992 N SER A 65 -10.036 9.291 -1.688 1.00 0.00 N ATOM 993 CA SER A 65 -10.115 9.436 -0.236 1.00 0.00 C ATOM 994 C SER A 65 -10.630 8.157 0.442 1.00 0.00 C ATOM 995 O SER A 65 -11.495 8.194 1.322 1.00 0.00 O ATOM 996 CB SER A 65 -10.895 10.703 0.136 1.00 0.00 C ATOM 997 OG SER A 65 -10.432 11.813 -0.624 1.00 0.00 O ATOM 0 H SER A 65 -10.819 9.725 -2.177 1.00 0.00 H new ATOM 0 HA SER A 65 -9.108 9.571 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.959 10.549 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.779 10.909 1.200 1.00 0.00 H new ATOM 0 HG SER A 65 -10.940 12.614 -0.377 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.500 7.876 1.581 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.762 8.434 0.259 1.00 0.00 C ATOM 1113 C ILE A 73 -4.884 7.646 -0.733 1.00 0.00 C ATOM 1114 O ILE A 73 -3.663 7.591 -0.560 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.498 9.963 0.213 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.454 10.846 1.053 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.618 10.498 -1.226 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.577 10.525 2.535 1.00 0.00 C ATOM 0 HA ILE A 73 -6.814 8.330 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.495 10.041 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.128 11.882 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.448 10.783 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.429 11.571 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.888 9.997 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.622 10.304 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.277 11.219 3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.941 9.505 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.601 10.621 3.010 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.483 7.056 -1.771 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.766 6.290 -2.789 1.00 0.00 C ATOM 1132 C ILE A 74 -4.440 7.269 -3.911 1.00 0.00 C ATOM 1133 O ILE A 74 -5.362 7.794 -4.535 1.00 0.00 O ATOM 1134 CB ILE A 74 -5.592 5.070 -3.263 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -5.954 4.126 -2.097 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -4.875 4.299 -4.386 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -4.775 3.490 -1.345 1.00 0.00 C ATOM 0 H ILE A 74 -6.490 7.098 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.845 5.860 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.524 5.465 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.556 4.684 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.583 3.326 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.486 3.450 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.719 4.960 -5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.911 3.941 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.154 2.849 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.180 2.895 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.153 4.274 -0.913 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.156 7.516 -4.164 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.715 8.388 -5.246 1.00 0.00 C ATOM 1151 C HIS A 75 -2.355 7.524 -6.456 1.00 0.00 C ATOM 1152 O HIS A 75 -1.528 6.617 -6.336 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.535 9.256 -4.787 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.918 10.263 -3.731 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.953 10.060 -2.368 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.293 11.560 -3.954 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.328 11.214 -1.788 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.557 12.158 -2.717 1.00 0.00 N ATOM 0 H HIS A 75 -2.391 7.115 -3.621 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.516 9.070 -5.532 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.747 8.611 -4.397 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.121 9.781 -5.648 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.733 9.189 -1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.372 12.039 -4.919 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.431 11.362 -0.723 1.00 0.00 H new ATOM 1166 N THR A 76 -2.937 7.834 -7.615 1.00 0.00 N ATOM 1167 CA THR A 76 -2.658 7.164 -8.883 1.00 0.00 C ATOM 1168 C THR A 76 -2.510 8.223 -9.965 1.00 0.00 C ATOM 1169 O THR A 76 -3.250 9.205 -9.943 1.00 0.00 O ATOM 1170 CB THR A 76 -3.799 6.197 -9.264 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.280 5.474 -8.140 1.00 0.00 O ATOM 1172 CG2 THR A 76 -3.322 5.200 -10.318 1.00 0.00 C ATOM 0 H THR A 76 -3.632 8.576 -7.699 1.00 0.00 H new ATOM 0 HA THR A 76 -1.741 6.583 -8.784 1.00 0.00 H new ATOM 0 HB THR A 76 -4.611 6.807 -9.660 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.002 4.874 -8.421 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.138 4.525 -10.576 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.001 5.739 -11.210 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.486 4.624 -9.922 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.616 8.028 -10.935 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.575 8.879 -12.111 1.00 0.00 C ATOM 1182 C LEU A 77 -2.465 8.254 -13.168 1.00 0.00 C ATOM 1183 O LEU A 77 -2.365 7.061 -13.438 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.136 9.050 -12.607 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.035 9.856 -13.913 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.410 11.328 -13.700 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.385 9.771 -14.470 1.00 0.00 C ATOM 0 H LEU A 77 -0.914 7.288 -10.924 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.941 9.878 -11.873 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.451 9.548 -11.835 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.308 8.066 -12.760 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.740 9.423 -14.623 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.327 11.865 -14.645 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.435 11.393 -13.335 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.265 11.773 -12.969 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.448 10.344 -15.395 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.086 10.178 -13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.635 8.729 -14.671 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.322 9.052 -13.780 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.091 8.713 -14.953 1.00 0.00 C ATOM 1201 C ILE A 78 -3.530 9.602 -16.071 1.00 0.00 C ATOM 1202 O ILE A 78 -3.227 10.775 -15.829 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.601 8.915 -14.684 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.280 7.709 -13.998 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.364 9.225 -15.975 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -5.721 7.378 -12.618 1.00 0.00 C ATOM 0 H ILE A 78 -3.506 10.000 -13.452 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.005 7.665 -15.239 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.647 9.762 -14.000 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.347 7.911 -13.906 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.175 6.834 -14.640 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.422 9.361 -15.749 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.968 10.137 -16.421 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.246 8.398 -16.675 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.252 6.520 -12.207 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.660 7.142 -12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.851 8.236 -11.958 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.414 9.086 -17.294 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.032 9.837 -18.480 1.00 0.00 C ATOM 1220 C VAL A 79 -3.923 9.368 -19.623 1.00 0.00 C ATOM 1221 O VAL A 79 -4.099 8.163 -19.790 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.537 9.652 -18.798 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.099 10.520 -19.987 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.664 9.977 -17.580 1.00 0.00 C ATOM 0 H VAL A 79 -3.590 8.100 -17.488 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.172 10.906 -18.320 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.401 8.603 -19.063 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.038 10.362 -20.181 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.675 10.244 -20.871 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.273 11.571 -19.754 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.386 9.837 -17.837 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.829 11.012 -17.280 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.928 9.314 -16.756 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.503 10.294 -20.391 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.445 9.994 -21.478 1.00 0.00 C ATOM 1236 C ASP A 80 -6.570 9.047 -21.016 1.00 0.00 C ATOM 1237 O ASP A 80 -6.990 8.133 -21.728 1.00 0.00 O ATOM 1238 CB ASP A 80 -4.695 9.523 -22.736 1.00 0.00 C ATOM 1239 CG ASP A 80 -5.623 9.388 -23.959 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.471 10.285 -24.197 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -5.461 8.411 -24.728 1.00 0.00 O ATOM 0 H ASP A 80 -4.329 11.292 -20.274 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.957 10.913 -21.763 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.897 10.229 -22.965 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.222 8.562 -22.535 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.023 9.237 -19.768 1.00 0.00 N ATOM 1247 CA ASN A 81 -7.999 8.410 -19.045 1.00 0.00 C ATOM 1248 C ASN A 81 -7.575 6.947 -18.789 1.00 0.00 C ATOM 1249 O ASN A 81 -8.390 6.144 -18.336 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.405 8.535 -19.668 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.520 8.116 -18.703 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.472 8.401 -17.508 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.569 7.475 -19.201 1.00 0.00 N ATOM 0 H ASN A 81 -6.697 10.021 -19.202 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.037 8.828 -18.039 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.569 9.566 -19.980 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.456 7.918 -20.565 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.344 7.215 -18.591 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.601 7.243 -20.194 1.00 0.00 H new ATOM 1260 N ARG A 82 -6.313 6.570 -19.047 1.00 0.00 N ATOM 1261 CA ARG A 82 -5.743 5.277 -18.689 1.00 0.00 C ATOM 1262 C ARG A 82 -5.039 5.391 -17.354 1.00 0.00 C ATOM 1263 O ARG A 82 -4.478 6.437 -17.041 1.00 0.00 O ATOM 1264 CB ARG A 82 -4.755 4.801 -19.767 1.00 0.00 C ATOM 1265 CG ARG A 82 -5.490 4.200 -20.961 1.00 0.00 C ATOM 1266 CD ARG A 82 -6.192 5.207 -21.877 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.755 4.561 -23.076 1.00 0.00 N ATOM 1268 CZ ARG A 82 -7.580 5.151 -23.955 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -7.936 6.424 -23.794 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -8.055 4.457 -24.988 1.00 0.00 N ATOM 0 H ARG A 82 -5.648 7.179 -19.524 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.547 4.545 -18.617 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.142 5.639 -20.098 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.078 4.060 -19.342 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.776 3.630 -21.556 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.232 3.493 -20.590 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.989 5.705 -21.325 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.483 5.978 -22.179 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.498 3.590 -23.252 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.581 6.956 -22.999 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.563 6.867 -24.465 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.792 3.479 -25.110 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.682 4.903 -25.657 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.049 4.312 -16.581 1.00 0.00 N ATOM 1285 CA GLU A 83 -4.472 4.270 -15.250 1.00 0.00 C ATOM 1286 C GLU A 83 -3.008 3.829 -15.326 1.00 0.00 C ATOM 1287 O GLU A 83 -2.689 2.853 -16.011 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.337 3.373 -14.358 1.00 0.00 C ATOM 1289 CG GLU A 83 -4.799 3.276 -12.933 1.00 0.00 C ATOM 1290 CD GLU A 83 -5.721 2.417 -12.050 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -6.714 2.953 -11.500 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -5.453 1.200 -11.894 1.00 0.00 O ATOM 0 H GLU A 83 -5.467 3.427 -16.870 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.465 5.262 -14.798 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.355 3.763 -14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.389 2.375 -14.793 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.798 2.844 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.709 4.275 -12.506 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.130 4.542 -14.616 1.00 0.00 N ATOM 1300 CA ILE A 84 -0.681 4.380 -14.628 1.00 0.00 C ATOM 1301 C ILE A 84 -0.244 4.016 -13.192 1.00 0.00 C ATOM 1302 O ILE A 84 -0.383 4.846 -12.287 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.016 5.684 -15.147 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.618 6.242 -16.455 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.500 5.506 -15.306 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -0.568 5.309 -17.672 1.00 0.00 C ATOM 0 H ILE A 84 -2.430 5.286 -13.986 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.366 3.583 -15.301 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.228 6.426 -14.377 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.659 6.507 -16.268 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.095 7.164 -16.708 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.939 6.435 -15.671 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.940 5.251 -14.342 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.700 4.706 -16.019 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.018 5.807 -18.531 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.469 5.062 -17.899 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.119 4.395 -17.452 1.00 0.00 H new ATOM 1318 N PRO A 85 0.275 2.799 -12.946 1.00 0.00 N ATOM 1319 CA PRO A 85 0.794 2.399 -11.638 1.00 0.00 C ATOM 1320 C PRO A 85 2.177 3.020 -11.376 1.00 0.00 C ATOM 1321 O PRO A 85 2.903 3.343 -12.320 1.00 0.00 O ATOM 1322 CB PRO A 85 0.847 0.870 -11.682 1.00 0.00 C ATOM 1323 CG PRO A 85 1.114 0.574 -13.159 1.00 0.00 C ATOM 1324 CD PRO A 85 0.361 1.690 -13.885 1.00 0.00 C ATOM 0 HA PRO A 85 0.165 2.749 -10.820 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.637 0.476 -11.043 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.089 0.424 -11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.180 0.594 -13.387 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.746 -0.411 -13.445 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.887 1.988 -14.792 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.632 1.357 -14.187 1.00 0.00 H new ATOM 1332 N GLU A 86 2.543 3.176 -10.094 1.00 0.00 N ATOM 1333 CA GLU A 86 3.843 3.712 -9.677 1.00 0.00 C ATOM 1334 C GLU A 86 4.996 2.854 -10.238 1.00 0.00 C ATOM 1335 O GLU A 86 4.811 1.690 -10.621 1.00 0.00 O ATOM 1336 CB GLU A 86 3.913 3.869 -8.150 1.00 0.00 C ATOM 1337 CG GLU A 86 4.340 2.608 -7.401 1.00 0.00 C ATOM 1338 CD GLU A 86 4.159 2.764 -5.879 1.00 0.00 C ATOM 1339 OE1 GLU A 86 5.089 3.259 -5.195 1.00 0.00 O ATOM 1340 OE2 GLU A 86 3.090 2.370 -5.350 1.00 0.00 O ATOM 0 H GLU A 86 1.936 2.930 -9.312 1.00 0.00 H new ATOM 0 HA GLU A 86 3.957 4.711 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.611 4.671 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.934 4.179 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.754 1.759 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.384 2.388 -7.623 1.00 0.00 H new