USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 990 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 47 CYS SG : rot -68:sc= -5.48! USER MOD Set 1.2: A 51 GLN : amide:sc= -0.193 K(o=-5,f=-7.6) USER MOD Set 1.3: A 106 GLN : amide:sc= 0.676 K(o=-5,f=-12!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0818 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.13) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -0.0427 (180deg=-0.295) USER MOD Single : A 37 SER OG : rot 180:sc= -0.255 USER MOD Single : A 40 ASN : amide:sc= -3.53 K(o=-3.5,f=-20!) USER MOD Single : A 42 THR OG1 : rot 74:sc= 0.86 USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= -1.24 (180deg=-3.6!) USER MOD Single : A 52 GLN : amide:sc= -0.417 K(o=-0.42,f=-3) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00159 USER MOD Single : A 58 THR OG1 : rot -16:sc= 0.065 USER MOD Single : A 59 GLN : amide:sc= 0.567 K(o=0.57,f=-0.53) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.145 F(o=-2.5!,f=-0.15) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.139 F(o=-2.5,f=-0.14) USER MOD Single : A 67 ASN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.66) USER MOD Single : A 74 SER OG : rot -132:sc= -0.0768 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0633 K(o=-0.063,f=-0.73) USER MOD Single : A 79 SER OG : rot -169:sc= 0.534 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 101 MET CE :methyl -131:sc= 0 (180deg=-0.122) USER MOD Single : A 105 GLN : amide:sc= -0.0602 K(o=-0.06,f=-3.6!) USER MOD Single : A 108 GLN : amide:sc= -0.577 K(o=-0.58,f=-4.4!) USER MOD Single : A 111 ASN : amide:sc= -0.926! X(o=-0.93!,f=-0.83) USER MOD Single : A 113 MET CE :methyl -143:sc= -0.291 (180deg=-2.66!) USER MOD Single : A 114 LYS NZ :NH3+ -165:sc= -0.0284 (180deg=-0.281) USER MOD Single : A 117 SER OG : rot 170:sc= -3.08! USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -165:sc= -0.0735 (180deg=-0.321) USER MOD Single : A 124 SER OG : rot -69:sc= 1.24 USER MOD Single : A 127 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 130 CYS SG : rot 59:sc= -1.26! USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -12.927 -2.071 -4.620 1.00 0.00 N ATOM 107 CA VAL A 8 -12.614 -0.694 -4.260 1.00 0.00 C ATOM 108 C VAL A 8 -13.052 -0.383 -2.828 1.00 0.00 C ATOM 109 O VAL A 8 -12.352 0.310 -2.095 1.00 0.00 O ATOM 110 CB VAL A 8 -13.261 0.314 -5.245 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.767 0.071 -6.672 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.786 0.245 -5.183 1.00 0.00 C ATOM 0 HA VAL A 8 -11.531 -0.586 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.958 1.317 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.234 0.789 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.684 0.191 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.030 -0.941 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.212 0.963 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.116 -0.760 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.120 0.483 -4.173 1.00 0.00 H new ATOM 122 N ALA A 9 -14.196 -0.928 -2.421 1.00 0.00 N ATOM 123 CA ALA A 9 -14.726 -0.684 -1.079 1.00 0.00 C ATOM 124 C ALA A 9 -13.907 -1.416 -0.016 1.00 0.00 C ATOM 125 O ALA A 9 -14.089 -1.194 1.183 1.00 0.00 O ATOM 126 CB ALA A 9 -16.190 -1.103 -1.004 1.00 0.00 C ATOM 0 H ALA A 9 -14.773 -1.540 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.654 0.385 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.571 -0.916 -0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.770 -0.528 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.277 -2.165 -1.233 1.00 0.00 H new ATOM 132 N SER A 10 -13.007 -2.288 -0.463 1.00 0.00 N ATOM 133 CA SER A 10 -12.163 -3.056 0.445 1.00 0.00 C ATOM 134 C SER A 10 -10.959 -2.235 0.909 1.00 0.00 C ATOM 135 O SER A 10 -10.269 -2.613 1.859 1.00 0.00 O ATOM 136 CB SER A 10 -11.695 -4.341 -0.242 1.00 0.00 C ATOM 137 OG SER A 10 -12.799 -5.092 -0.722 1.00 0.00 O ATOM 0 H SER A 10 -12.844 -2.480 -1.451 1.00 0.00 H new ATOM 0 HA SER A 10 -12.752 -3.313 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.031 -4.094 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.118 -4.944 0.460 1.00 0.00 H new ATOM 0 HG SER A 10 -12.475 -5.907 -1.158 1.00 0.00 H new ATOM 143 N TRP A 11 -10.713 -1.108 0.243 1.00 0.00 N ATOM 144 CA TRP A 11 -9.586 -0.243 0.588 1.00 0.00 C ATOM 145 C TRP A 11 -9.754 0.317 1.999 1.00 0.00 C ATOM 146 O TRP A 11 -8.783 0.465 2.736 1.00 0.00 O ATOM 147 CB TRP A 11 -9.456 0.911 -0.413 1.00 0.00 C ATOM 148 CG TRP A 11 -9.241 0.471 -1.830 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.711 -0.711 -2.263 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.536 1.230 -3.005 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.666 -0.733 -3.635 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.170 0.449 -4.113 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.081 2.494 -3.219 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.328 0.898 -5.422 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.241 2.941 -4.513 1.00 0.00 C ATOM 156 CH2 TRP A 11 -9.866 2.145 -5.603 1.00 0.00 C ATOM 0 H TRP A 11 -11.278 -0.773 -0.537 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.678 -0.845 0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.358 1.522 -0.366 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.624 1.547 -0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.376 -1.511 -1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.315 -1.503 -4.205 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.373 3.114 -2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.037 0.286 -6.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -10.662 3.920 -4.689 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.004 2.522 -6.606 1.00 0.00 H new ATOM 167 N ALA A 12 -11.001 0.607 2.370 1.00 0.00 N ATOM 168 CA ALA A 12 -11.311 1.155 3.691 1.00 0.00 C ATOM 169 C ALA A 12 -11.176 0.091 4.782 1.00 0.00 C ATOM 170 O ALA A 12 -11.309 0.388 5.972 1.00 0.00 O ATOM 171 CB ALA A 12 -12.716 1.755 3.697 1.00 0.00 C ATOM 0 H ALA A 12 -11.816 0.471 1.772 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.590 1.943 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.935 2.159 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.774 2.554 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.443 0.981 3.453 1.00 0.00 H new ATOM 177 N LEU A 13 -10.919 -1.149 4.372 1.00 0.00 N ATOM 178 CA LEU A 13 -10.767 -2.255 5.314 1.00 0.00 C ATOM 179 C LEU A 13 -9.292 -2.478 5.653 1.00 0.00 C ATOM 180 O LEU A 13 -8.955 -2.828 6.788 1.00 0.00 O ATOM 181 CB LEU A 13 -11.378 -3.540 4.734 1.00 0.00 C ATOM 182 CG LEU A 13 -12.877 -3.462 4.393 1.00 0.00 C ATOM 183 CD1 LEU A 13 -13.366 -4.783 3.804 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.698 -3.083 5.625 1.00 0.00 C ATOM 0 H LEU A 13 -10.812 -1.413 3.393 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.297 -1.997 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.830 -3.807 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.227 -4.349 5.449 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.013 -2.682 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.428 -4.706 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.809 -5.004 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.211 -5.583 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.754 -3.034 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.555 -3.833 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.372 -2.111 5.994 1.00 0.00 H new ATOM 196 N SER A 14 -8.417 -2.268 4.670 1.00 0.00 N ATOM 197 CA SER A 14 -6.984 -2.472 4.860 1.00 0.00 C ATOM 198 C SER A 14 -6.175 -1.571 3.925 1.00 0.00 C ATOM 199 O SER A 14 -6.444 -1.495 2.721 1.00 0.00 O ATOM 200 CB SER A 14 -6.620 -3.942 4.618 1.00 0.00 C ATOM 201 OG SER A 14 -7.389 -4.801 5.443 1.00 0.00 O ATOM 0 H SER A 14 -8.677 -1.957 3.734 1.00 0.00 H new ATOM 0 HA SER A 14 -6.738 -2.209 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.787 -4.193 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.559 -4.095 4.817 1.00 0.00 H new ATOM 0 HG SER A 14 -7.139 -5.732 5.268 1.00 0.00 H new ATOM 207 N PHE A 15 -5.171 -0.908 4.487 1.00 0.00 N ATOM 208 CA PHE A 15 -4.321 0.001 3.725 1.00 0.00 C ATOM 209 C PHE A 15 -3.518 -0.775 2.688 1.00 0.00 C ATOM 210 O PHE A 15 -3.379 -0.340 1.547 1.00 0.00 O ATOM 211 CB PHE A 15 -3.386 0.784 4.660 1.00 0.00 C ATOM 212 CG PHE A 15 -2.506 1.788 3.949 1.00 0.00 C ATOM 213 CD1 PHE A 15 -2.990 2.521 2.874 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.202 2.003 4.364 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.193 3.445 2.230 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.400 2.926 3.720 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.898 3.647 2.652 1.00 0.00 C ATOM 0 H PHE A 15 -4.924 -0.983 5.474 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.958 0.718 3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.987 1.306 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.753 0.079 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.004 2.366 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.808 1.443 5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.584 4.009 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.616 3.084 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.272 4.369 2.148 1.00 0.00 H new ATOM 227 N GLU A 16 -3.000 -1.931 3.095 1.00 0.00 N ATOM 228 CA GLU A 16 -2.268 -2.806 2.188 1.00 0.00 C ATOM 229 C GLU A 16 -3.133 -3.167 0.980 1.00 0.00 C ATOM 230 O GLU A 16 -2.638 -3.258 -0.134 1.00 0.00 O ATOM 231 CB GLU A 16 -1.795 -4.078 2.913 1.00 0.00 C ATOM 232 CG GLU A 16 -0.980 -5.018 2.030 1.00 0.00 C ATOM 233 CD GLU A 16 -0.380 -6.186 2.796 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.114 -7.145 3.113 1.00 0.00 O ATOM 235 OE2 GLU A 16 0.835 -6.153 3.091 1.00 0.00 O ATOM 0 H GLU A 16 -3.075 -2.283 4.050 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.386 -2.270 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.194 -3.792 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.665 -4.614 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.617 -5.403 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.178 -4.454 1.552 1.00 0.00 H new ATOM 242 N ARG A 17 -4.434 -3.343 1.206 1.00 0.00 N ATOM 243 CA ARG A 17 -5.366 -3.656 0.121 1.00 0.00 C ATOM 244 C ARG A 17 -5.390 -2.519 -0.901 1.00 0.00 C ATOM 245 O ARG A 17 -5.389 -2.753 -2.110 1.00 0.00 O ATOM 246 CB ARG A 17 -6.773 -3.914 0.684 1.00 0.00 C ATOM 247 CG ARG A 17 -7.834 -4.201 -0.377 1.00 0.00 C ATOM 248 CD ARG A 17 -7.438 -5.360 -1.286 1.00 0.00 C ATOM 249 NE ARG A 17 -7.175 -6.595 -0.541 1.00 0.00 N ATOM 250 CZ ARG A 17 -6.589 -7.675 -1.068 1.00 0.00 C ATOM 251 NH1 ARG A 17 -6.161 -7.664 -2.324 1.00 0.00 N ATOM 252 NH2 ARG A 17 -6.400 -8.757 -0.326 1.00 0.00 N ATOM 0 H ARG A 17 -4.867 -3.275 2.127 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.028 -4.562 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.727 -4.758 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.083 -3.046 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.781 -4.431 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.995 -3.307 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.234 -5.538 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.548 -5.085 -1.853 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.456 -6.633 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.278 -6.827 -2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.715 -8.492 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.702 -8.766 0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.953 -9.580 -0.729 1.00 0.00 H new ATOM 266 N LEU A 18 -5.404 -1.290 -0.402 1.00 0.00 N ATOM 267 CA LEU A 18 -5.353 -0.107 -1.259 1.00 0.00 C ATOM 268 C LEU A 18 -3.984 0.031 -1.926 1.00 0.00 C ATOM 269 O LEU A 18 -3.879 0.351 -3.111 1.00 0.00 O ATOM 270 CB LEU A 18 -5.641 1.156 -0.430 1.00 0.00 C ATOM 271 CG LEU A 18 -5.393 2.493 -1.157 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.372 2.683 -2.310 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.463 3.665 -0.181 1.00 0.00 C ATOM 0 H LEU A 18 -5.450 -1.083 0.596 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.110 -0.222 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.680 1.127 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.024 1.130 0.468 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.388 2.463 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.173 3.634 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.252 1.870 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.392 2.680 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.285 4.597 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.450 3.695 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.704 3.541 0.592 1.00 0.00 H new ATOM 285 N LEU A 19 -2.943 -0.233 -1.153 1.00 0.00 N ATOM 286 CA LEU A 19 -1.580 0.126 -1.531 1.00 0.00 C ATOM 287 C LEU A 19 -0.881 -0.971 -2.338 1.00 0.00 C ATOM 288 O LEU A 19 0.075 -0.702 -3.062 1.00 0.00 O ATOM 289 CB LEU A 19 -0.784 0.434 -0.259 1.00 0.00 C ATOM 290 CG LEU A 19 0.599 1.058 -0.474 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.492 2.340 -1.295 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.278 1.335 0.861 1.00 0.00 C ATOM 0 H LEU A 19 -3.015 -0.700 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.629 1.002 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.374 1.108 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.661 -0.492 0.303 1.00 0.00 H new ATOM 0 HG LEU A 19 1.210 0.346 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.485 2.766 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.053 2.114 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.139 3.057 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.258 1.778 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.667 2.025 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.395 0.401 1.411 1.00 0.00 H new ATOM 304 N GLN A 20 -1.351 -2.201 -2.212 1.00 0.00 N ATOM 305 CA GLN A 20 -0.680 -3.343 -2.840 1.00 0.00 C ATOM 306 C GLN A 20 -1.342 -3.716 -4.170 1.00 0.00 C ATOM 307 O GLN A 20 -0.700 -4.298 -5.052 1.00 0.00 O ATOM 308 CB GLN A 20 -0.672 -4.538 -1.876 1.00 0.00 C ATOM 309 CG GLN A 20 0.277 -5.662 -2.274 1.00 0.00 C ATOM 310 CD GLN A 20 0.445 -6.688 -1.166 1.00 0.00 C ATOM 311 OE1 GLN A 20 -0.275 -7.687 -1.108 1.00 0.00 O ATOM 312 NE2 GLN A 20 1.385 -6.431 -0.267 1.00 0.00 N ATOM 0 H GLN A 20 -2.190 -2.441 -1.684 1.00 0.00 H new ATOM 0 HA GLN A 20 0.350 -3.060 -3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.400 -4.185 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.683 -4.940 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.101 -6.155 -3.170 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.250 -5.241 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.958 -5.592 -0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.535 -7.073 0.512 1.00 0.00 H new ATOM 321 N ASP A 21 -2.619 -3.373 -4.322 1.00 0.00 N ATOM 322 CA ASP A 21 -3.341 -3.634 -5.569 1.00 0.00 C ATOM 323 C ASP A 21 -3.078 -2.523 -6.587 1.00 0.00 C ATOM 324 O ASP A 21 -3.094 -1.341 -6.239 1.00 0.00 O ATOM 325 CB ASP A 21 -4.853 -3.780 -5.319 1.00 0.00 C ATOM 326 CG ASP A 21 -5.235 -5.186 -4.881 1.00 0.00 C ATOM 327 OD1 ASP A 21 -5.366 -6.066 -5.759 1.00 0.00 O ATOM 328 OD2 ASP A 21 -5.399 -5.421 -3.668 1.00 0.00 O ATOM 0 H ASP A 21 -3.176 -2.915 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.972 -4.576 -5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.163 -3.067 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.395 -3.526 -6.230 1.00 0.00 H new ATOM 333 N PRO A 22 -2.841 -2.893 -7.864 1.00 0.00 N ATOM 334 CA PRO A 22 -2.510 -1.928 -8.925 1.00 0.00 C ATOM 335 C PRO A 22 -3.611 -0.884 -9.125 1.00 0.00 C ATOM 336 O PRO A 22 -3.328 0.305 -9.296 1.00 0.00 O ATOM 337 CB PRO A 22 -2.351 -2.806 -10.182 1.00 0.00 C ATOM 338 CG PRO A 22 -3.053 -4.084 -9.855 1.00 0.00 C ATOM 339 CD PRO A 22 -2.879 -4.277 -8.375 1.00 0.00 C ATOM 0 HA PRO A 22 -1.617 -1.351 -8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.792 -2.327 -11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.300 -2.981 -10.410 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.109 -4.030 -10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.626 -4.918 -10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.703 -4.845 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.962 -4.818 -8.143 1.00 0.00 H new ATOM 347 N LEU A 23 -4.862 -1.343 -9.096 1.00 0.00 N ATOM 348 CA LEU A 23 -6.021 -0.466 -9.264 1.00 0.00 C ATOM 349 C LEU A 23 -6.067 0.545 -8.116 1.00 0.00 C ATOM 350 O LEU A 23 -6.281 1.745 -8.328 1.00 0.00 O ATOM 351 CB LEU A 23 -7.308 -1.319 -9.315 1.00 0.00 C ATOM 352 CG LEU A 23 -8.566 -0.645 -9.911 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.631 -1.693 -10.233 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.139 0.410 -8.969 1.00 0.00 C ATOM 0 H LEU A 23 -5.100 -2.325 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.941 0.086 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.097 -2.218 -9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.543 -1.641 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.265 -0.145 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.510 -1.202 -10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.234 -2.405 -10.957 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.910 -2.220 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.022 0.861 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.415 -0.058 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.390 1.181 -8.787 1.00 0.00 H new ATOM 366 N GLY A 24 -5.834 0.046 -6.904 1.00 0.00 N ATOM 367 CA GLY A 24 -5.818 0.900 -5.734 1.00 0.00 C ATOM 368 C GLY A 24 -4.743 1.962 -5.836 1.00 0.00 C ATOM 369 O GLY A 24 -5.030 3.156 -5.746 1.00 0.00 O ATOM 0 H GLY A 24 -5.655 -0.940 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.791 1.376 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.650 0.295 -4.843 1.00 0.00 H new ATOM 373 N LEU A 25 -3.508 1.517 -6.058 1.00 0.00 N ATOM 374 CA LEU A 25 -2.371 2.421 -6.225 1.00 0.00 C ATOM 375 C LEU A 25 -2.618 3.425 -7.343 1.00 0.00 C ATOM 376 O LEU A 25 -2.178 4.570 -7.255 1.00 0.00 O ATOM 377 CB LEU A 25 -1.081 1.628 -6.506 1.00 0.00 C ATOM 378 CG LEU A 25 -0.152 1.445 -5.297 1.00 0.00 C ATOM 379 CD1 LEU A 25 1.058 0.592 -5.666 1.00 0.00 C ATOM 380 CD2 LEU A 25 0.294 2.805 -4.758 1.00 0.00 C ATOM 0 H LEU A 25 -3.268 0.528 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.252 2.972 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.354 0.644 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.527 2.134 -7.297 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.706 0.926 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.701 0.476 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.723 -0.389 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.616 1.079 -6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.952 2.659 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.828 3.348 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.580 3.379 -4.450 1.00 0.00 H new ATOM 392 N ALA A 26 -3.322 2.992 -8.387 1.00 0.00 N ATOM 393 CA ALA A 26 -3.600 3.853 -9.532 1.00 0.00 C ATOM 394 C ALA A 26 -4.303 5.132 -9.089 1.00 0.00 C ATOM 395 O ALA A 26 -3.741 6.224 -9.190 1.00 0.00 O ATOM 396 CB ALA A 26 -4.432 3.111 -10.576 1.00 0.00 C ATOM 0 H ALA A 26 -3.709 2.051 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.650 4.130 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.628 3.771 -11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.885 2.233 -10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.378 2.799 -10.133 1.00 0.00 H new ATOM 402 N TYR A 27 -5.514 4.988 -8.564 1.00 0.00 N ATOM 403 CA TYR A 27 -6.299 6.145 -8.129 1.00 0.00 C ATOM 404 C TYR A 27 -5.665 6.804 -6.910 1.00 0.00 C ATOM 405 O TYR A 27 -5.699 8.031 -6.763 1.00 0.00 O ATOM 406 CB TYR A 27 -7.737 5.724 -7.808 1.00 0.00 C ATOM 407 CG TYR A 27 -8.530 5.300 -9.026 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.455 4.002 -9.518 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.355 6.204 -9.685 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.178 3.619 -10.631 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.083 5.830 -10.794 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.993 4.535 -11.265 1.00 0.00 C ATOM 413 OH TYR A 27 -10.712 4.152 -12.377 1.00 0.00 O ATOM 0 H TYR A 27 -5.975 4.088 -8.428 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.315 6.869 -8.944 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.715 4.900 -7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.250 6.554 -7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.821 3.282 -9.022 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.427 7.218 -9.321 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.106 2.608 -11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.720 6.546 -11.292 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.237 4.912 -12.705 1.00 0.00 H new ATOM 423 N PHE A 28 -5.078 5.986 -6.043 1.00 0.00 N ATOM 424 CA PHE A 28 -4.482 6.474 -4.808 1.00 0.00 C ATOM 425 C PHE A 28 -3.337 7.439 -5.107 1.00 0.00 C ATOM 426 O PHE A 28 -3.267 8.523 -4.527 1.00 0.00 O ATOM 427 CB PHE A 28 -3.997 5.296 -3.947 1.00 0.00 C ATOM 428 CG PHE A 28 -3.471 5.681 -2.587 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.078 6.687 -1.846 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.375 5.028 -2.045 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.599 7.032 -0.597 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.895 5.368 -0.796 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.507 6.370 -0.072 1.00 0.00 C ATOM 0 H PHE A 28 -5.003 4.977 -6.175 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.242 7.018 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.822 4.595 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.212 4.767 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.934 7.206 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.890 4.243 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.078 7.818 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.041 4.850 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.132 6.637 0.905 1.00 0.00 H new ATOM 443 N THR A 29 -2.458 7.065 -6.040 1.00 0.00 N ATOM 444 CA THR A 29 -1.314 7.905 -6.366 1.00 0.00 C ATOM 445 C THR A 29 -1.766 9.150 -7.129 1.00 0.00 C ATOM 446 O THR A 29 -1.155 10.209 -7.006 1.00 0.00 O ATOM 447 CB THR A 29 -0.228 7.151 -7.182 1.00 0.00 C ATOM 448 OG1 THR A 29 0.977 7.931 -7.229 1.00 0.00 O ATOM 449 CG2 THR A 29 -0.689 6.857 -8.607 1.00 0.00 C ATOM 0 H THR A 29 -2.518 6.198 -6.574 1.00 0.00 H new ATOM 0 HA THR A 29 -0.862 8.198 -5.419 1.00 0.00 H new ATOM 0 HB THR A 29 -0.044 6.201 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.658 7.450 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.100 6.329 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.586 6.238 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.911 7.794 -9.118 1.00 0.00 H new ATOM 457 N GLU A 30 -2.847 9.020 -7.903 1.00 0.00 N ATOM 458 CA GLU A 30 -3.398 10.152 -8.648 1.00 0.00 C ATOM 459 C GLU A 30 -3.892 11.234 -7.689 1.00 0.00 C ATOM 460 O GLU A 30 -3.459 12.387 -7.758 1.00 0.00 O ATOM 461 CB GLU A 30 -4.540 9.691 -9.567 1.00 0.00 C ATOM 462 CG GLU A 30 -4.081 8.795 -10.710 1.00 0.00 C ATOM 463 CD GLU A 30 -5.212 8.404 -11.650 1.00 0.00 C ATOM 464 OE1 GLU A 30 -6.125 7.668 -11.222 1.00 0.00 O ATOM 465 OE2 GLU A 30 -5.194 8.836 -12.825 1.00 0.00 O ATOM 0 H GLU A 30 -3.355 8.145 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.605 10.572 -9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.280 9.156 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.038 10.568 -9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.305 9.309 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.630 7.892 -10.298 1.00 0.00 H new ATOM 472 N PHE A 31 -4.777 10.849 -6.777 1.00 0.00 N ATOM 473 CA PHE A 31 -5.349 11.785 -5.816 1.00 0.00 C ATOM 474 C PHE A 31 -4.272 12.295 -4.854 1.00 0.00 C ATOM 475 O PHE A 31 -4.302 13.447 -4.420 1.00 0.00 O ATOM 476 CB PHE A 31 -6.489 11.116 -5.035 1.00 0.00 C ATOM 477 CG PHE A 31 -7.282 12.074 -4.179 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.335 12.798 -4.723 1.00 0.00 C ATOM 479 CD2 PHE A 31 -6.974 12.260 -2.836 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.061 13.682 -3.952 1.00 0.00 C ATOM 481 CE2 PHE A 31 -7.698 13.147 -2.060 1.00 0.00 C ATOM 482 CZ PHE A 31 -8.743 13.858 -2.619 1.00 0.00 C ATOM 0 H PHE A 31 -5.115 9.891 -6.683 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.753 12.637 -6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.163 10.629 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.073 10.334 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.589 12.667 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.160 11.705 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.878 14.236 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.447 13.284 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.310 14.550 -2.015 1.00 0.00 H new ATOM 492 N LEU A 32 -3.313 11.433 -4.537 1.00 0.00 N ATOM 493 CA LEU A 32 -2.252 11.781 -3.597 1.00 0.00 C ATOM 494 C LEU A 32 -1.217 12.693 -4.272 1.00 0.00 C ATOM 495 O LEU A 32 -0.533 13.476 -3.605 1.00 0.00 O ATOM 496 CB LEU A 32 -1.615 10.495 -3.044 1.00 0.00 C ATOM 497 CG LEU A 32 -0.752 10.642 -1.779 1.00 0.00 C ATOM 498 CD1 LEU A 32 -1.481 11.434 -0.702 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.354 9.266 -1.254 1.00 0.00 C ATOM 0 H LEU A 32 -3.247 10.488 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.670 12.338 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.413 9.784 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.998 10.056 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 32 0.149 11.194 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.845 11.521 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.716 12.429 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.404 10.920 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.257 9.381 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.251 8.696 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.217 8.737 -2.017 1.00 0.00 H new ATOM 511 N LYS A 33 -1.111 12.598 -5.603 1.00 0.00 N ATOM 512 CA LYS A 33 -0.286 13.531 -6.379 1.00 0.00 C ATOM 513 C LYS A 33 -1.022 14.858 -6.561 1.00 0.00 C ATOM 514 O LYS A 33 -0.394 15.906 -6.703 1.00 0.00 O ATOM 515 CB LYS A 33 0.093 12.952 -7.757 1.00 0.00 C ATOM 516 CG LYS A 33 1.292 12.001 -7.744 1.00 0.00 C ATOM 517 CD LYS A 33 2.598 12.720 -7.386 1.00 0.00 C ATOM 518 CE LYS A 33 3.802 11.781 -7.469 1.00 0.00 C ATOM 519 NZ LYS A 33 5.081 12.466 -7.136 1.00 0.00 N ATOM 0 H LYS A 33 -1.584 11.888 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 33 0.635 13.696 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.769 12.422 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.309 13.777 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.111 11.201 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.393 11.534 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.746 13.563 -8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.524 13.129 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.654 10.943 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.867 11.366 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.878 11.829 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.173 13.328 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.086 12.720 -6.128 1.00 0.00 H new ATOM 533 N LYS A 34 -2.355 14.802 -6.549 1.00 0.00 N ATOM 534 CA LYS A 34 -3.193 16.003 -6.639 1.00 0.00 C ATOM 535 C LYS A 34 -2.817 16.993 -5.534 1.00 0.00 C ATOM 536 O LYS A 34 -2.740 18.202 -5.760 1.00 0.00 O ATOM 537 CB LYS A 34 -4.678 15.612 -6.519 1.00 0.00 C ATOM 538 CG LYS A 34 -5.686 16.758 -6.698 1.00 0.00 C ATOM 539 CD LYS A 34 -6.000 17.054 -8.171 1.00 0.00 C ATOM 540 CE LYS A 34 -4.918 17.882 -8.854 1.00 0.00 C ATOM 541 NZ LYS A 34 -4.807 19.246 -8.272 1.00 0.00 N ATOM 0 H LYS A 34 -2.882 13.932 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.028 16.480 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.894 14.844 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.838 15.162 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.610 16.506 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.291 17.659 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.123 16.113 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.950 17.584 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.960 17.371 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.139 17.959 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.299 19.866 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.759 19.629 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.286 19.199 -7.373 1.00 0.00 H new ATOM 555 N GLU A 35 -2.571 16.455 -4.342 1.00 0.00 N ATOM 556 CA GLU A 35 -2.156 17.254 -3.189 1.00 0.00 C ATOM 557 C GLU A 35 -0.631 17.422 -3.171 1.00 0.00 C ATOM 558 O GLU A 35 -0.087 18.173 -2.361 1.00 0.00 O ATOM 559 CB GLU A 35 -2.608 16.565 -1.892 1.00 0.00 C ATOM 560 CG GLU A 35 -4.080 16.161 -1.875 1.00 0.00 C ATOM 561 CD GLU A 35 -5.023 17.348 -1.978 1.00 0.00 C ATOM 562 OE1 GLU A 35 -5.187 18.071 -0.971 1.00 0.00 O ATOM 563 OE2 GLU A 35 -5.610 17.564 -3.057 1.00 0.00 O ATOM 0 H GLU A 35 -2.653 15.457 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.619 18.238 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.997 15.676 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.417 17.235 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.273 15.478 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.291 15.615 -0.955 1.00 0.00 H new ATOM 570 N PHE A 36 0.035 16.716 -4.085 1.00 0.00 N ATOM 571 CA PHE A 36 1.494 16.596 -4.107 1.00 0.00 C ATOM 572 C PHE A 36 1.985 16.067 -2.759 1.00 0.00 C ATOM 573 O PHE A 36 2.579 16.791 -1.958 1.00 0.00 O ATOM 574 CB PHE A 36 2.188 17.925 -4.465 1.00 0.00 C ATOM 575 CG PHE A 36 3.639 17.757 -4.879 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.636 17.541 -3.932 1.00 0.00 C ATOM 577 CD2 PHE A 36 4.002 17.805 -6.218 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.955 17.378 -4.311 1.00 0.00 C ATOM 579 CE2 PHE A 36 5.321 17.646 -6.602 1.00 0.00 C ATOM 580 CZ PHE A 36 6.297 17.432 -5.647 1.00 0.00 C ATOM 0 H PHE A 36 -0.427 16.206 -4.838 1.00 0.00 H new ATOM 0 HA PHE A 36 1.760 15.889 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.640 18.405 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.138 18.595 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.375 17.500 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.244 17.969 -6.970 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.716 17.209 -3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.588 17.689 -7.648 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.327 17.307 -5.946 1.00 0.00 H new ATOM 590 N SER A 37 1.678 14.804 -2.502 1.00 0.00 N ATOM 591 CA SER A 37 2.092 14.140 -1.276 1.00 0.00 C ATOM 592 C SER A 37 2.206 12.633 -1.501 1.00 0.00 C ATOM 593 O SER A 37 2.297 11.857 -0.553 1.00 0.00 O ATOM 594 CB SER A 37 1.094 14.459 -0.153 1.00 0.00 C ATOM 595 OG SER A 37 -0.243 14.270 -0.588 1.00 0.00 O ATOM 0 H SER A 37 1.138 14.214 -3.134 1.00 0.00 H new ATOM 0 HA SER A 37 3.074 14.508 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.293 13.820 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.230 15.489 0.177 1.00 0.00 H new ATOM 0 HG SER A 37 -0.858 14.478 0.146 1.00 0.00 H new ATOM 601 N ALA A 38 2.239 12.232 -2.774 1.00 0.00 N ATOM 602 CA ALA A 38 2.328 10.817 -3.142 1.00 0.00 C ATOM 603 C ALA A 38 3.762 10.329 -3.053 1.00 0.00 C ATOM 604 O ALA A 38 4.062 9.184 -3.378 1.00 0.00 O ATOM 605 CB ALA A 38 1.772 10.589 -4.541 1.00 0.00 C ATOM 0 H ALA A 38 2.205 12.870 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 38 1.727 10.244 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.848 9.532 -4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.726 10.896 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.343 11.176 -5.260 1.00 0.00 H new ATOM 611 N GLU A 39 4.635 11.207 -2.588 1.00 0.00 N ATOM 612 CA GLU A 39 6.054 10.900 -2.460 1.00 0.00 C ATOM 613 C GLU A 39 6.234 9.692 -1.542 1.00 0.00 C ATOM 614 O GLU A 39 7.172 8.904 -1.688 1.00 0.00 O ATOM 615 CB GLU A 39 6.802 12.121 -1.897 1.00 0.00 C ATOM 616 CG GLU A 39 6.316 13.463 -2.454 1.00 0.00 C ATOM 617 CD GLU A 39 6.204 13.484 -3.973 1.00 0.00 C ATOM 618 OE1 GLU A 39 7.241 13.648 -4.649 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.072 13.345 -4.496 1.00 0.00 O ATOM 0 H GLU A 39 4.384 12.149 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 39 6.466 10.662 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.696 12.130 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.865 12.014 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.343 13.696 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.001 14.249 -2.137 1.00 0.00 H new ATOM 626 N ASN A 40 5.295 9.556 -0.613 1.00 0.00 N ATOM 627 CA ASN A 40 5.268 8.446 0.334 1.00 0.00 C ATOM 628 C ASN A 40 5.048 7.107 -0.380 1.00 0.00 C ATOM 629 O ASN A 40 5.746 6.126 -0.106 1.00 0.00 O ATOM 630 CB ASN A 40 4.176 8.690 1.398 1.00 0.00 C ATOM 631 CG ASN A 40 2.840 9.128 0.804 1.00 0.00 C ATOM 632 OD1 ASN A 40 2.490 8.766 -0.313 1.00 0.00 O ATOM 633 ND2 ASN A 40 2.088 9.930 1.543 1.00 0.00 N ATOM 0 H ASN A 40 4.526 10.216 -0.494 1.00 0.00 H new ATOM 0 HA ASN A 40 6.237 8.393 0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.028 7.776 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.523 9.452 2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.192 10.262 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.405 10.215 2.470 1.00 0.00 H new ATOM 640 N VAL A 41 4.093 7.068 -1.309 1.00 0.00 N ATOM 641 CA VAL A 41 3.787 5.838 -2.033 1.00 0.00 C ATOM 642 C VAL A 41 4.811 5.602 -3.134 1.00 0.00 C ATOM 643 O VAL A 41 5.126 4.462 -3.458 1.00 0.00 O ATOM 644 CB VAL A 41 2.355 5.831 -2.634 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.313 6.018 -1.536 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.191 6.890 -3.724 1.00 0.00 C ATOM 0 H VAL A 41 3.522 7.870 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 41 3.834 5.028 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 41 2.199 4.859 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.316 6.011 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.397 5.207 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.481 6.971 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.176 6.852 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.380 7.878 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.900 6.697 -4.529 1.00 0.00 H new ATOM 656 N THR A 42 5.336 6.685 -3.700 1.00 0.00 N ATOM 657 CA THR A 42 6.405 6.588 -4.684 1.00 0.00 C ATOM 658 C THR A 42 7.619 5.902 -4.054 1.00 0.00 C ATOM 659 O THR A 42 8.261 5.048 -4.672 1.00 0.00 O ATOM 660 CB THR A 42 6.797 7.988 -5.216 1.00 0.00 C ATOM 661 OG1 THR A 42 5.630 8.668 -5.703 1.00 0.00 O ATOM 662 CG2 THR A 42 7.829 7.892 -6.336 1.00 0.00 C ATOM 0 H THR A 42 5.038 7.638 -3.493 1.00 0.00 H new ATOM 0 HA THR A 42 6.051 5.995 -5.527 1.00 0.00 H new ATOM 0 HB THR A 42 7.238 8.547 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.083 8.963 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.081 8.893 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.728 7.402 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.417 7.313 -7.162 1.00 0.00 H new ATOM 670 N PHE A 43 7.897 6.265 -2.802 1.00 0.00 N ATOM 671 CA PHE A 43 8.963 5.639 -2.026 1.00 0.00 C ATOM 672 C PHE A 43 8.645 4.164 -1.774 1.00 0.00 C ATOM 673 O PHE A 43 9.480 3.291 -2.008 1.00 0.00 O ATOM 674 CB PHE A 43 9.141 6.381 -0.691 1.00 0.00 C ATOM 675 CG PHE A 43 10.184 5.777 0.219 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.525 6.106 0.077 1.00 0.00 C ATOM 677 CD2 PHE A 43 9.823 4.883 1.221 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.481 5.556 0.908 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.778 4.330 2.054 1.00 0.00 C ATOM 680 CZ PHE A 43 12.107 4.667 1.897 1.00 0.00 C ATOM 0 H PHE A 43 7.392 6.997 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 43 9.892 5.699 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.411 7.417 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.185 6.399 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.825 6.801 -0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.784 4.617 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.521 5.821 0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.484 3.635 2.827 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.854 4.236 2.547 1.00 0.00 H new ATOM 690 N TRP A 44 7.425 3.900 -1.301 1.00 0.00 N ATOM 691 CA TRP A 44 6.983 2.540 -0.982 1.00 0.00 C ATOM 692 C TRP A 44 7.093 1.635 -2.212 1.00 0.00 C ATOM 693 O TRP A 44 7.621 0.524 -2.138 1.00 0.00 O ATOM 694 CB TRP A 44 5.535 2.566 -0.461 1.00 0.00 C ATOM 695 CG TRP A 44 5.050 1.248 0.084 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.191 0.791 1.363 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.341 0.226 -0.630 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.627 -0.458 1.486 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.096 -0.824 0.278 1.00 0.00 C ATOM 700 CE3 TRP A 44 3.893 0.093 -1.947 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.423 -1.986 -0.090 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.224 -1.060 -2.310 1.00 0.00 C ATOM 703 CH2 TRP A 44 2.994 -2.086 -1.385 1.00 0.00 C ATOM 0 H TRP A 44 6.720 4.617 -1.129 1.00 0.00 H new ATOM 0 HA TRP A 44 7.630 2.136 -0.203 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.456 3.321 0.321 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.875 2.876 -1.271 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.675 1.332 2.163 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.608 -1.019 2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.067 0.878 -2.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.246 -2.779 0.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.872 -1.172 -3.325 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.467 -2.974 -1.701 1.00 0.00 H new ATOM 714 N LYS A 45 6.603 2.134 -3.345 1.00 0.00 N ATOM 715 CA LYS A 45 6.622 1.391 -4.604 1.00 0.00 C ATOM 716 C LYS A 45 8.056 1.105 -5.040 1.00 0.00 C ATOM 717 O LYS A 45 8.393 -0.025 -5.398 1.00 0.00 O ATOM 718 CB LYS A 45 5.888 2.179 -5.701 1.00 0.00 C ATOM 719 CG LYS A 45 4.390 2.327 -5.453 1.00 0.00 C ATOM 720 CD LYS A 45 3.715 3.292 -6.435 1.00 0.00 C ATOM 721 CE LYS A 45 3.699 2.772 -7.875 1.00 0.00 C ATOM 722 NZ LYS A 45 5.036 2.837 -8.526 1.00 0.00 N ATOM 0 H LYS A 45 6.183 3.061 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 45 6.110 0.442 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.333 3.171 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.041 1.680 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.916 1.348 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.229 2.681 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.691 3.474 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.233 4.250 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.347 1.740 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.987 3.355 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.936 3.223 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.664 3.452 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.444 1.882 -8.577 1.00 0.00 H new ATOM 736 N ALA A 46 8.895 2.136 -4.999 1.00 0.00 N ATOM 737 CA ALA A 46 10.296 2.002 -5.379 1.00 0.00 C ATOM 738 C ALA A 46 11.000 0.988 -4.481 1.00 0.00 C ATOM 739 O ALA A 46 11.777 0.158 -4.952 1.00 0.00 O ATOM 740 CB ALA A 46 10.991 3.358 -5.320 1.00 0.00 C ATOM 0 H ALA A 46 8.627 3.075 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 46 10.347 1.636 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.037 3.244 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.500 4.048 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.933 3.753 -4.306 1.00 0.00 H new ATOM 746 N CYS A 47 10.695 1.049 -3.188 1.00 0.00 N ATOM 747 CA CYS A 47 11.285 0.141 -2.212 1.00 0.00 C ATOM 748 C CYS A 47 10.826 -1.294 -2.466 1.00 0.00 C ATOM 749 O CYS A 47 11.610 -2.236 -2.354 1.00 0.00 O ATOM 750 CB CYS A 47 10.919 0.573 -0.787 1.00 0.00 C ATOM 751 SG CYS A 47 11.685 -0.429 0.506 1.00 0.00 S ATOM 0 H CYS A 47 10.039 1.722 -2.791 1.00 0.00 H new ATOM 0 HA CYS A 47 12.369 0.181 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.212 1.613 -0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.836 0.529 -0.672 1.00 0.00 H new ATOM 0 HG CYS A 47 11.175 -1.625 0.488 1.00 0.00 H new ATOM 757 N GLU A 48 9.554 -1.455 -2.828 1.00 0.00 N ATOM 758 CA GLU A 48 9.008 -2.774 -3.137 1.00 0.00 C ATOM 759 C GLU A 48 9.681 -3.338 -4.395 1.00 0.00 C ATOM 760 O GLU A 48 9.914 -4.543 -4.507 1.00 0.00 O ATOM 761 CB GLU A 48 7.484 -2.692 -3.312 1.00 0.00 C ATOM 762 CG GLU A 48 6.811 -4.039 -3.574 1.00 0.00 C ATOM 763 CD GLU A 48 7.008 -5.035 -2.436 1.00 0.00 C ATOM 764 OE1 GLU A 48 6.264 -4.962 -1.435 1.00 0.00 O ATOM 765 OE2 GLU A 48 7.900 -5.904 -2.543 1.00 0.00 O ATOM 0 H GLU A 48 8.885 -0.690 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 48 9.214 -3.450 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.050 -2.250 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.260 -2.019 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.744 -3.881 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.209 -4.465 -4.495 1.00 0.00 H new ATOM 772 N ARG A 49 10.027 -2.449 -5.324 1.00 0.00 N ATOM 773 CA ARG A 49 10.748 -2.841 -6.536 1.00 0.00 C ATOM 774 C ARG A 49 12.235 -3.052 -6.239 1.00 0.00 C ATOM 775 O ARG A 49 13.005 -3.456 -7.114 1.00 0.00 O ATOM 776 CB ARG A 49 10.578 -1.789 -7.639 1.00 0.00 C ATOM 777 CG ARG A 49 9.163 -1.692 -8.195 1.00 0.00 C ATOM 778 CD ARG A 49 9.086 -0.714 -9.364 1.00 0.00 C ATOM 779 NE ARG A 49 9.387 0.663 -8.956 1.00 0.00 N ATOM 780 CZ ARG A 49 10.576 1.256 -9.106 1.00 0.00 C ATOM 781 NH1 ARG A 49 11.597 0.598 -9.651 1.00 0.00 N ATOM 782 NH2 ARG A 49 10.738 2.511 -8.714 1.00 0.00 N ATOM 0 H ARG A 49 9.820 -1.452 -5.262 1.00 0.00 H new ATOM 0 HA ARG A 49 10.324 -3.782 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.869 -0.815 -7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.262 -2.020 -8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.831 -2.678 -8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.482 -1.372 -7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.786 -1.022 -10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.088 -0.752 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 49 8.637 1.206 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.476 -0.367 -9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.500 1.059 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.958 3.021 -8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.643 2.968 -8.826 1.00 0.00 H new ATOM 796 N PHE A 50 12.627 -2.766 -5.003 1.00 0.00 N ATOM 797 CA PHE A 50 13.999 -2.967 -4.548 1.00 0.00 C ATOM 798 C PHE A 50 14.116 -4.311 -3.824 1.00 0.00 C ATOM 799 O PHE A 50 15.045 -5.084 -4.062 1.00 0.00 O ATOM 800 CB PHE A 50 14.401 -1.806 -3.626 1.00 0.00 C ATOM 801 CG PHE A 50 15.781 -1.917 -3.025 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.912 -1.863 -3.827 1.00 0.00 C ATOM 803 CD2 PHE A 50 15.945 -2.057 -1.653 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.174 -1.950 -3.274 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.207 -2.146 -1.098 1.00 0.00 C ATOM 806 CZ PHE A 50 18.323 -2.092 -1.910 1.00 0.00 C ATOM 0 H PHE A 50 12.004 -2.389 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 50 14.675 -2.985 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.341 -0.876 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.674 -1.735 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.804 -1.752 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.076 -2.097 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 50 19.046 -1.907 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.321 -2.258 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.310 -2.161 -1.478 1.00 0.00 H new ATOM 816 N GLN A 51 13.147 -4.592 -2.959 1.00 0.00 N ATOM 817 CA GLN A 51 13.133 -5.831 -2.180 1.00 0.00 C ATOM 818 C GLN A 51 12.585 -7.002 -2.998 1.00 0.00 C ATOM 819 O GLN A 51 12.585 -8.145 -2.534 1.00 0.00 O ATOM 820 CB GLN A 51 12.320 -5.635 -0.894 1.00 0.00 C ATOM 821 CG GLN A 51 10.928 -5.066 -1.133 1.00 0.00 C ATOM 822 CD GLN A 51 10.278 -4.555 0.136 1.00 0.00 C ATOM 823 OE1 GLN A 51 10.477 -3.405 0.522 1.00 0.00 O ATOM 824 NE2 GLN A 51 9.481 -5.390 0.786 1.00 0.00 N ATOM 0 H GLN A 51 12.355 -3.976 -2.777 1.00 0.00 H new ATOM 0 HA GLN A 51 14.161 -6.075 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.229 -6.593 -0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.866 -4.968 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.992 -4.253 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.296 -5.837 -1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.340 -6.337 0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.008 -5.086 1.637 1.00 0.00 H new ATOM 833 N GLN A 52 12.110 -6.713 -4.210 1.00 0.00 N ATOM 834 CA GLN A 52 11.673 -7.764 -5.129 1.00 0.00 C ATOM 835 C GLN A 52 12.885 -8.394 -5.803 1.00 0.00 C ATOM 836 O GLN A 52 12.802 -9.488 -6.369 1.00 0.00 O ATOM 837 CB GLN A 52 10.690 -7.203 -6.174 1.00 0.00 C ATOM 838 CG GLN A 52 11.304 -6.266 -7.220 1.00 0.00 C ATOM 839 CD GLN A 52 11.772 -6.982 -8.482 1.00 0.00 C ATOM 840 OE1 GLN A 52 12.923 -7.404 -8.591 1.00 0.00 O ATOM 841 NE2 GLN A 52 10.877 -7.117 -9.449 1.00 0.00 N ATOM 0 H GLN A 52 12.018 -5.766 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 52 11.148 -8.533 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.221 -8.039 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.898 -6.667 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.569 -5.509 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.150 -5.743 -6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.932 -6.755 -9.323 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.133 -7.583 -10.319 1.00 0.00 H new ATOM 850 N ILE A 53 14.005 -7.681 -5.744 1.00 0.00 N ATOM 851 CA ILE A 53 15.261 -8.164 -6.300 1.00 0.00 C ATOM 852 C ILE A 53 15.794 -9.312 -5.437 1.00 0.00 C ATOM 853 O ILE A 53 16.029 -9.126 -4.244 1.00 0.00 O ATOM 854 CB ILE A 53 16.318 -7.027 -6.367 1.00 0.00 C ATOM 855 CG1 ILE A 53 15.739 -5.791 -7.087 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.589 -7.514 -7.066 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.652 -4.576 -7.062 1.00 0.00 C ATOM 0 H ILE A 53 14.067 -6.759 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 53 15.075 -8.517 -7.314 1.00 0.00 H new ATOM 0 HB ILE A 53 16.578 -6.739 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.528 -6.053 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.788 -5.527 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.317 -6.704 -7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.009 -8.354 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.347 -7.831 -8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.173 -3.750 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.843 -4.286 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.595 -4.820 -7.551 1.00 0.00 H new ATOM 869 N PRO A 54 16.003 -10.509 -6.023 1.00 0.00 N ATOM 870 CA PRO A 54 16.410 -11.716 -5.273 1.00 0.00 C ATOM 871 C PRO A 54 17.841 -11.643 -4.714 1.00 0.00 C ATOM 872 O PRO A 54 18.424 -12.674 -4.372 1.00 0.00 O ATOM 873 CB PRO A 54 16.299 -12.849 -6.317 1.00 0.00 C ATOM 874 CG PRO A 54 15.527 -12.267 -7.457 1.00 0.00 C ATOM 875 CD PRO A 54 15.845 -10.799 -7.458 1.00 0.00 C ATOM 0 HA PRO A 54 15.783 -11.856 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 54 17.285 -13.183 -6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.789 -13.718 -5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.814 -12.730 -8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.457 -12.436 -7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.754 -10.581 -8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.044 -10.210 -7.906 1.00 0.00 H new ATOM 883 N ALA A 55 18.396 -10.427 -4.635 1.00 0.00 N ATOM 884 CA ALA A 55 19.748 -10.182 -4.109 1.00 0.00 C ATOM 885 C ALA A 55 20.837 -10.582 -5.113 1.00 0.00 C ATOM 886 O ALA A 55 21.952 -10.056 -5.069 1.00 0.00 O ATOM 887 CB ALA A 55 19.962 -10.892 -2.772 1.00 0.00 C ATOM 0 H ALA A 55 17.917 -9.578 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 55 19.831 -9.108 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.970 -10.691 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.236 -10.526 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 55 19.832 -11.966 -2.905 1.00 0.00 H new ATOM 893 N SER A 56 20.500 -11.496 -6.020 1.00 0.00 N ATOM 894 CA SER A 56 21.442 -12.013 -7.004 1.00 0.00 C ATOM 895 C SER A 56 22.055 -10.890 -7.841 1.00 0.00 C ATOM 896 O SER A 56 23.277 -10.710 -7.855 1.00 0.00 O ATOM 897 CB SER A 56 20.727 -13.028 -7.901 1.00 0.00 C ATOM 898 OG SER A 56 19.465 -12.530 -8.314 1.00 0.00 O ATOM 0 H SER A 56 19.565 -11.898 -6.092 1.00 0.00 H new ATOM 0 HA SER A 56 22.261 -12.504 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.342 -13.245 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.595 -13.967 -7.363 1.00 0.00 H new ATOM 0 HG SER A 56 19.024 -13.191 -8.887 1.00 0.00 H new ATOM 904 N ASP A 57 21.212 -10.132 -8.536 1.00 0.00 N ATOM 905 CA ASP A 57 21.689 -9.030 -9.363 1.00 0.00 C ATOM 906 C ASP A 57 21.971 -7.813 -8.483 1.00 0.00 C ATOM 907 O ASP A 57 21.131 -6.922 -8.330 1.00 0.00 O ATOM 908 CB ASP A 57 20.670 -8.691 -10.461 1.00 0.00 C ATOM 909 CG ASP A 57 21.280 -7.877 -11.591 1.00 0.00 C ATOM 910 OD1 ASP A 57 21.968 -8.471 -12.452 1.00 0.00 O ATOM 911 OD2 ASP A 57 21.073 -6.650 -11.631 1.00 0.00 O ATOM 0 H ASP A 57 20.200 -10.260 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 57 22.614 -9.330 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.256 -9.615 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.841 -8.135 -10.023 1.00 0.00 H new ATOM 916 N THR A 58 23.155 -7.807 -7.881 1.00 0.00 N ATOM 917 CA THR A 58 23.533 -6.790 -6.906 1.00 0.00 C ATOM 918 C THR A 58 23.700 -5.415 -7.558 1.00 0.00 C ATOM 919 O THR A 58 23.479 -4.385 -6.917 1.00 0.00 O ATOM 920 CB THR A 58 24.833 -7.195 -6.174 1.00 0.00 C ATOM 921 OG1 THR A 58 24.668 -8.496 -5.590 1.00 0.00 O ATOM 922 CG2 THR A 58 25.198 -6.193 -5.079 1.00 0.00 C ATOM 0 H THR A 58 23.878 -8.505 -8.054 1.00 0.00 H new ATOM 0 HA THR A 58 22.724 -6.719 -6.179 1.00 0.00 H new ATOM 0 HB THR A 58 25.641 -7.208 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 58 23.715 -8.720 -5.554 1.00 0.00 H new ATOM 0 HG21 THR A 58 26.117 -6.511 -4.587 1.00 0.00 H new ATOM 0 HG22 THR A 58 25.345 -5.208 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.392 -6.145 -4.347 1.00 0.00 H new ATOM 930 N GLN A 59 24.069 -5.400 -8.837 1.00 0.00 N ATOM 931 CA GLN A 59 24.232 -4.143 -9.566 1.00 0.00 C ATOM 932 C GLN A 59 22.913 -3.365 -9.580 1.00 0.00 C ATOM 933 O GLN A 59 22.901 -2.142 -9.422 1.00 0.00 O ATOM 934 CB GLN A 59 24.725 -4.398 -11.000 1.00 0.00 C ATOM 935 CG GLN A 59 23.738 -5.177 -11.859 1.00 0.00 C ATOM 936 CD GLN A 59 24.236 -5.439 -13.268 1.00 0.00 C ATOM 937 OE1 GLN A 59 25.017 -4.666 -13.823 1.00 0.00 O ATOM 938 NE2 GLN A 59 23.765 -6.523 -13.863 1.00 0.00 N ATOM 0 H GLN A 59 24.260 -6.237 -9.387 1.00 0.00 H new ATOM 0 HA GLN A 59 24.986 -3.545 -9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 59 24.933 -3.441 -11.479 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.667 -4.945 -10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 59 23.521 -6.130 -11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 59 22.799 -4.625 -11.911 1.00 0.00 H new ATOM 0 HE21 GLN A 59 23.119 -7.137 -13.367 1.00 0.00 H new ATOM 0 HE22 GLN A 59 24.048 -6.744 -14.818 1.00 0.00 H new ATOM 947 N GLN A 60 21.799 -4.085 -9.742 1.00 0.00 N ATOM 948 CA GLN A 60 20.477 -3.462 -9.754 1.00 0.00 C ATOM 949 C GLN A 60 20.124 -2.952 -8.363 1.00 0.00 C ATOM 950 O GLN A 60 19.446 -1.934 -8.220 1.00 0.00 O ATOM 951 CB GLN A 60 19.415 -4.457 -10.242 1.00 0.00 C ATOM 952 CG GLN A 60 18.055 -3.826 -10.521 1.00 0.00 C ATOM 953 CD GLN A 60 17.090 -4.797 -11.178 1.00 0.00 C ATOM 954 OE1 GLN A 60 16.337 -5.525 -10.371 1.00 0.00 O flip ATOM 955 NE2 GLN A 60 17.026 -4.895 -12.403 1.00 0.00 N flip ATOM 0 H GLN A 60 21.789 -5.097 -9.866 1.00 0.00 H new ATOM 0 HA GLN A 60 20.499 -2.618 -10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.774 -4.939 -11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.294 -5.240 -9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.625 -3.468 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.186 -2.957 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.624 -4.316 -12.993 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.375 -5.555 -12.828 1.00 0.00 H new ATOM 964 N LEU A 61 20.595 -3.665 -7.337 1.00 0.00 N ATOM 965 CA LEU A 61 20.419 -3.228 -5.954 1.00 0.00 C ATOM 966 C LEU A 61 21.027 -1.842 -5.766 1.00 0.00 C ATOM 967 O LEU A 61 20.379 -0.936 -5.247 1.00 0.00 O ATOM 968 CB LEU A 61 21.066 -4.221 -4.974 1.00 0.00 C ATOM 969 CG LEU A 61 20.388 -5.598 -4.875 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.199 -6.533 -3.982 1.00 0.00 C ATOM 971 CD2 LEU A 61 18.962 -5.456 -4.348 1.00 0.00 C ATOM 0 H LEU A 61 21.100 -4.545 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 61 19.351 -3.187 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.105 -4.368 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.076 -3.769 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 61 20.344 -6.031 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.703 -7.502 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.197 -6.661 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.276 -6.105 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.498 -6.440 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.984 -5.001 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.385 -4.826 -5.025 1.00 0.00 H new ATOM 983 N ALA A 62 22.270 -1.685 -6.214 1.00 0.00 N ATOM 984 CA ALA A 62 22.973 -0.410 -6.110 1.00 0.00 C ATOM 985 C ALA A 62 22.237 0.683 -6.886 1.00 0.00 C ATOM 986 O ALA A 62 22.058 1.798 -6.389 1.00 0.00 O ATOM 987 CB ALA A 62 24.407 -0.555 -6.611 1.00 0.00 C ATOM 0 H ALA A 62 22.813 -2.428 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 62 23.000 -0.116 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.920 0.403 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.929 -1.299 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.398 -0.872 -7.654 1.00 0.00 H new ATOM 993 N GLN A 63 21.795 0.342 -8.096 1.00 0.00 N ATOM 994 CA GLN A 63 21.086 1.286 -8.962 1.00 0.00 C ATOM 995 C GLN A 63 19.805 1.796 -8.301 1.00 0.00 C ATOM 996 O GLN A 63 19.606 3.005 -8.160 1.00 0.00 O ATOM 997 CB GLN A 63 20.757 0.632 -10.315 1.00 0.00 C ATOM 998 CG GLN A 63 21.977 0.387 -11.199 1.00 0.00 C ATOM 999 CD GLN A 63 22.686 1.671 -11.612 1.00 0.00 C ATOM 1000 OE1 GLN A 63 21.935 2.751 -11.767 1.00 0.00 O flip ATOM 1001 NE2 GLN A 63 23.899 1.686 -11.808 1.00 0.00 N flip ATOM 0 H GLN A 63 21.916 -0.586 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 63 21.743 2.139 -9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.255 -0.319 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.053 1.268 -10.853 1.00 0.00 H new ATOM 0 HG2 GLN A 63 22.680 -0.254 -10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 63 21.667 -0.153 -12.094 1.00 0.00 H new ATOM 0 HE21 GLN A 63 24.447 0.835 -11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 63 24.358 2.549 -12.100 1.00 0.00 H new ATOM 1010 N GLU A 64 18.946 0.871 -7.883 1.00 0.00 N ATOM 1011 CA GLU A 64 17.659 1.233 -7.301 1.00 0.00 C ATOM 1012 C GLU A 64 17.869 1.932 -5.957 1.00 0.00 C ATOM 1013 O GLU A 64 17.184 2.905 -5.637 1.00 0.00 O ATOM 1014 CB GLU A 64 16.763 -0.007 -7.134 1.00 0.00 C ATOM 1015 CG GLU A 64 15.300 0.325 -6.835 1.00 0.00 C ATOM 1016 CD GLU A 64 14.664 1.210 -7.902 1.00 0.00 C ATOM 1017 OE1 GLU A 64 14.333 0.693 -8.995 1.00 0.00 O ATOM 1018 OE2 GLU A 64 14.494 2.425 -7.658 1.00 0.00 O ATOM 0 H GLU A 64 19.118 -0.133 -7.937 1.00 0.00 H new ATOM 0 HA GLU A 64 17.154 1.921 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.812 -0.604 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.158 -0.624 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.732 -0.601 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.236 0.826 -5.869 1.00 0.00 H new ATOM 1025 N ALA A 65 18.849 1.448 -5.194 1.00 0.00 N ATOM 1026 CA ALA A 65 19.163 2.019 -3.888 1.00 0.00 C ATOM 1027 C ALA A 65 19.575 3.481 -4.016 1.00 0.00 C ATOM 1028 O ALA A 65 19.065 4.338 -3.293 1.00 0.00 O ATOM 1029 CB ALA A 65 20.263 1.222 -3.193 1.00 0.00 C ATOM 0 H ALA A 65 19.439 0.660 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 65 18.260 1.966 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.478 1.669 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.934 0.192 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.164 1.235 -3.806 1.00 0.00 H new ATOM 1035 N ARG A 66 20.489 3.767 -4.942 1.00 0.00 N ATOM 1036 CA ARG A 66 20.985 5.129 -5.123 1.00 0.00 C ATOM 1037 C ARG A 66 19.891 6.016 -5.708 1.00 0.00 C ATOM 1038 O ARG A 66 19.826 7.212 -5.420 1.00 0.00 O ATOM 1039 CB ARG A 66 22.259 5.144 -5.997 1.00 0.00 C ATOM 1040 CG ARG A 66 22.046 4.893 -7.493 1.00 0.00 C ATOM 1041 CD ARG A 66 21.896 6.195 -8.276 1.00 0.00 C ATOM 1042 NE ARG A 66 21.879 5.974 -9.723 1.00 0.00 N ATOM 1043 CZ ARG A 66 22.975 5.828 -10.472 1.00 0.00 C ATOM 1044 NH1 ARG A 66 24.178 5.802 -9.909 1.00 0.00 N ATOM 1045 NH2 ARG A 66 22.866 5.693 -11.785 1.00 0.00 N ATOM 0 H ARG A 66 20.898 3.079 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 66 21.259 5.532 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.748 6.111 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.947 4.389 -5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.889 4.327 -7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 66 21.156 4.280 -7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.974 6.693 -7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 66 22.717 6.865 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 66 20.973 5.929 -10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 66 24.270 5.894 -8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 66 25.010 5.690 -10.488 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.945 5.701 -12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.703 5.581 -12.357 1.00 0.00 H new ATOM 1059 N ASN A 67 19.023 5.414 -6.517 1.00 0.00 N ATOM 1060 CA ASN A 67 17.864 6.114 -7.062 1.00 0.00 C ATOM 1061 C ASN A 67 16.977 6.612 -5.925 1.00 0.00 C ATOM 1062 O ASN A 67 16.787 7.816 -5.756 1.00 0.00 O ATOM 1063 CB ASN A 67 17.071 5.195 -8.007 1.00 0.00 C ATOM 1064 CG ASN A 67 15.702 5.756 -8.370 1.00 0.00 C ATOM 1065 OD1 ASN A 67 15.575 6.593 -9.263 1.00 0.00 O ATOM 1066 ND2 ASN A 67 14.664 5.266 -7.710 1.00 0.00 N ATOM 0 H ASN A 67 19.101 4.440 -6.810 1.00 0.00 H new ATOM 0 HA ASN A 67 18.210 6.972 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.647 5.037 -8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.945 4.220 -7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.721 5.581 -7.936 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.808 4.573 -6.975 1.00 0.00 H new ATOM 1073 N ILE A 68 16.475 5.676 -5.123 1.00 0.00 N ATOM 1074 CA ILE A 68 15.610 6.001 -3.991 1.00 0.00 C ATOM 1075 C ILE A 68 16.327 6.938 -3.014 1.00 0.00 C ATOM 1076 O ILE A 68 15.738 7.892 -2.495 1.00 0.00 O ATOM 1077 CB ILE A 68 15.175 4.713 -3.243 1.00 0.00 C ATOM 1078 CG1 ILE A 68 14.476 3.744 -4.211 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.261 5.050 -2.064 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.102 2.412 -3.591 1.00 0.00 C ATOM 0 H ILE A 68 16.654 4.678 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 68 14.725 6.502 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 68 16.068 4.227 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.574 4.220 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.130 3.565 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.969 4.131 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.791 5.698 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.370 5.561 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.614 1.787 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.002 1.913 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.421 2.578 -2.756 1.00 0.00 H new ATOM 1092 N TYR A 69 17.609 6.663 -2.792 1.00 0.00 N ATOM 1093 CA TYR A 69 18.428 7.438 -1.867 1.00 0.00 C ATOM 1094 C TYR A 69 18.464 8.912 -2.266 1.00 0.00 C ATOM 1095 O TYR A 69 18.043 9.782 -1.509 1.00 0.00 O ATOM 1096 CB TYR A 69 19.856 6.868 -1.823 1.00 0.00 C ATOM 1097 CG TYR A 69 20.799 7.606 -0.885 1.00 0.00 C ATOM 1098 CD1 TYR A 69 20.817 7.325 0.476 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.674 8.579 -1.365 1.00 0.00 C ATOM 1100 CE1 TYR A 69 21.675 7.990 1.332 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.534 9.247 -0.514 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.531 8.951 0.833 1.00 0.00 C ATOM 1103 OH TYR A 69 23.386 9.616 1.687 1.00 0.00 O ATOM 0 H TYR A 69 18.108 5.899 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 69 17.981 7.366 -0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.807 5.822 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.274 6.890 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.149 6.574 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.680 8.815 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.676 7.759 2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.206 9.998 -0.902 1.00 0.00 H new ATOM 0 HH TYR A 69 23.922 10.259 1.178 1.00 0.00 H new ATOM 1113 N GLN A 70 18.941 9.176 -3.471 1.00 0.00 N ATOM 1114 CA GLN A 70 19.168 10.543 -3.933 1.00 0.00 C ATOM 1115 C GLN A 70 17.865 11.334 -4.080 1.00 0.00 C ATOM 1116 O GLN A 70 17.888 12.566 -4.099 1.00 0.00 O ATOM 1117 CB GLN A 70 19.942 10.518 -5.254 1.00 0.00 C ATOM 1118 CG GLN A 70 21.386 10.040 -5.095 1.00 0.00 C ATOM 1119 CD GLN A 70 22.057 9.673 -6.409 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.929 8.805 -6.444 1.00 0.00 O ATOM 1121 NE2 GLN A 70 21.667 10.328 -7.493 1.00 0.00 N ATOM 0 H GLN A 70 19.181 8.458 -4.155 1.00 0.00 H new ATOM 0 HA GLN A 70 19.759 11.057 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.425 9.866 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.942 11.518 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 70 21.967 10.823 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.402 9.173 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN A 70 20.941 11.041 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 70 22.093 10.119 -8.396 1.00 0.00 H new ATOM 1130 N GLU A 71 16.734 10.637 -4.159 1.00 0.00 N ATOM 1131 CA GLU A 71 15.445 11.301 -4.359 1.00 0.00 C ATOM 1132 C GLU A 71 14.742 11.611 -3.033 1.00 0.00 C ATOM 1133 O GLU A 71 14.180 12.697 -2.865 1.00 0.00 O ATOM 1134 CB GLU A 71 14.527 10.442 -5.243 1.00 0.00 C ATOM 1135 CG GLU A 71 15.089 10.141 -6.629 1.00 0.00 C ATOM 1136 CD GLU A 71 15.317 11.389 -7.470 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.326 11.967 -7.962 1.00 0.00 O ATOM 1138 OE2 GLU A 71 16.488 11.780 -7.666 1.00 0.00 O ATOM 0 H GLU A 71 16.682 9.621 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 71 15.650 12.248 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.329 9.500 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.570 10.952 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.032 9.606 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.403 9.477 -7.155 1.00 0.00 H new ATOM 1145 N PHE A 72 14.767 10.662 -2.095 1.00 0.00 N ATOM 1146 CA PHE A 72 14.004 10.799 -0.845 1.00 0.00 C ATOM 1147 C PHE A 72 14.908 10.822 0.393 1.00 0.00 C ATOM 1148 O PHE A 72 14.555 11.407 1.425 1.00 0.00 O ATOM 1149 CB PHE A 72 13.004 9.636 -0.704 1.00 0.00 C ATOM 1150 CG PHE A 72 12.072 9.473 -1.881 1.00 0.00 C ATOM 1151 CD1 PHE A 72 10.910 10.225 -1.977 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.358 8.562 -2.890 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.056 10.075 -3.053 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.507 8.409 -3.967 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.355 9.167 -4.048 1.00 0.00 C ATOM 0 H PHE A 72 15.301 9.796 -2.172 1.00 0.00 H new ATOM 0 HA PHE A 72 13.479 11.752 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.560 8.709 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.410 9.790 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.670 10.937 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.257 7.966 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.155 10.668 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 72 11.742 7.698 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.689 9.049 -4.890 1.00 0.00 H new ATOM 1165 N LEU A 73 16.072 10.189 0.290 1.00 0.00 N ATOM 1166 CA LEU A 73 16.897 9.894 1.466 1.00 0.00 C ATOM 1167 C LEU A 73 18.183 10.724 1.516 1.00 0.00 C ATOM 1168 O LEU A 73 18.919 10.659 2.502 1.00 0.00 O ATOM 1169 CB LEU A 73 17.240 8.399 1.471 1.00 0.00 C ATOM 1170 CG LEU A 73 16.030 7.459 1.307 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.478 6.009 1.145 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.074 7.602 2.489 1.00 0.00 C ATOM 0 H LEU A 73 16.469 9.869 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 73 16.319 10.161 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.949 8.200 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.745 8.159 2.407 1.00 0.00 H new ATOM 0 HG LEU A 73 15.500 7.748 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.603 5.369 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.110 5.920 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.041 5.701 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.226 6.930 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.596 7.348 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.717 8.630 2.546 1.00 0.00 H new ATOM 1184 N SER A 74 18.463 11.497 0.466 1.00 0.00 N ATOM 1185 CA SER A 74 19.686 12.300 0.420 1.00 0.00 C ATOM 1186 C SER A 74 19.589 13.503 1.363 1.00 0.00 C ATOM 1187 O SER A 74 19.371 14.633 0.927 1.00 0.00 O ATOM 1188 CB SER A 74 19.979 12.753 -1.018 1.00 0.00 C ATOM 1189 OG SER A 74 18.859 13.412 -1.590 1.00 0.00 O ATOM 0 H SER A 74 17.866 11.584 -0.357 1.00 0.00 H new ATOM 0 HA SER A 74 20.515 11.678 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.839 13.423 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.245 11.889 -1.627 1.00 0.00 H new ATOM 0 HG SER A 74 18.687 13.048 -2.484 1.00 0.00 H new ATOM 1195 N SER A 75 19.727 13.236 2.662 1.00 0.00 N ATOM 1196 CA SER A 75 19.644 14.265 3.702 1.00 0.00 C ATOM 1197 C SER A 75 18.387 15.133 3.545 1.00 0.00 C ATOM 1198 O SER A 75 17.324 14.794 4.067 1.00 0.00 O ATOM 1199 CB SER A 75 20.912 15.127 3.704 1.00 0.00 C ATOM 1200 OG SER A 75 22.061 14.332 3.944 1.00 0.00 O ATOM 0 H SER A 75 19.900 12.298 3.025 1.00 0.00 H new ATOM 0 HA SER A 75 19.567 13.760 4.665 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.011 15.638 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.832 15.898 4.470 1.00 0.00 H new ATOM 0 HG SER A 75 22.859 14.901 3.940 1.00 0.00 H new ATOM 1206 N GLN A 76 18.503 16.218 2.782 1.00 0.00 N ATOM 1207 CA GLN A 76 17.402 17.155 2.578 1.00 0.00 C ATOM 1208 C GLN A 76 16.954 17.072 1.125 1.00 0.00 C ATOM 1209 O GLN A 76 16.897 18.076 0.409 1.00 0.00 O ATOM 1210 CB GLN A 76 17.836 18.588 2.934 1.00 0.00 C ATOM 1211 CG GLN A 76 18.326 18.754 4.372 1.00 0.00 C ATOM 1212 CD GLN A 76 17.297 18.325 5.409 1.00 0.00 C ATOM 1213 OE1 GLN A 76 17.271 17.173 5.838 1.00 0.00 O ATOM 1214 NE2 GLN A 76 16.440 19.249 5.819 1.00 0.00 N ATOM 0 H GLN A 76 19.360 16.471 2.290 1.00 0.00 H new ATOM 0 HA GLN A 76 16.570 16.892 3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 76 18.630 18.895 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.996 19.262 2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 76 19.236 18.170 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.589 19.798 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 76 16.491 20.195 5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 76 15.730 19.014 6.512 1.00 0.00 H new ATOM 1223 N ALA A 77 16.661 15.846 0.709 1.00 0.00 N ATOM 1224 CA ALA A 77 16.275 15.533 -0.667 1.00 0.00 C ATOM 1225 C ALA A 77 15.072 16.346 -1.150 1.00 0.00 C ATOM 1226 O ALA A 77 14.460 17.098 -0.386 1.00 0.00 O ATOM 1227 CB ALA A 77 15.982 14.046 -0.784 1.00 0.00 C ATOM 0 H ALA A 77 16.684 15.031 1.322 1.00 0.00 H new ATOM 0 HA ALA A 77 17.113 15.806 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.694 13.811 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.873 13.478 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.168 13.781 -0.109 1.00 0.00 H new ATOM 1233 N LEU A 78 14.733 16.164 -2.428 1.00 0.00 N ATOM 1234 CA LEU A 78 13.634 16.893 -3.063 1.00 0.00 C ATOM 1235 C LEU A 78 12.327 16.636 -2.320 1.00 0.00 C ATOM 1236 O LEU A 78 11.612 17.571 -1.950 1.00 0.00 O ATOM 1237 CB LEU A 78 13.488 16.487 -4.545 1.00 0.00 C ATOM 1238 CG LEU A 78 14.654 16.880 -5.477 1.00 0.00 C ATOM 1239 CD1 LEU A 78 15.924 16.094 -5.153 1.00 0.00 C ATOM 1240 CD2 LEU A 78 14.262 16.681 -6.940 1.00 0.00 C ATOM 0 H LEU A 78 15.210 15.510 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 78 13.864 17.958 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.360 15.406 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.573 16.933 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 78 14.867 17.936 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.723 16.398 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.224 16.295 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.733 15.028 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.097 16.963 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.011 15.634 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.398 17.304 -7.173 1.00 0.00 H new ATOM 1252 N SER A 79 12.025 15.363 -2.105 1.00 0.00 N ATOM 1253 CA SER A 79 10.850 14.963 -1.344 1.00 0.00 C ATOM 1254 C SER A 79 11.278 14.042 -0.196 1.00 0.00 C ATOM 1255 O SER A 79 11.297 12.820 -0.339 1.00 0.00 O ATOM 1256 CB SER A 79 9.837 14.265 -2.262 1.00 0.00 C ATOM 1257 OG SER A 79 9.527 15.067 -3.392 1.00 0.00 O ATOM 0 H SER A 79 12.584 14.583 -2.451 1.00 0.00 H new ATOM 0 HA SER A 79 10.368 15.846 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.241 13.308 -2.592 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.925 14.050 -1.704 1.00 0.00 H new ATOM 0 HG SER A 79 8.764 14.679 -3.869 1.00 0.00 H new ATOM 1263 N PRO A 80 11.676 14.627 0.950 1.00 0.00 N ATOM 1264 CA PRO A 80 12.195 13.861 2.086 1.00 0.00 C ATOM 1265 C PRO A 80 11.094 13.119 2.846 1.00 0.00 C ATOM 1266 O PRO A 80 10.213 13.736 3.449 1.00 0.00 O ATOM 1267 CB PRO A 80 12.850 14.936 2.964 1.00 0.00 C ATOM 1268 CG PRO A 80 12.083 16.183 2.669 1.00 0.00 C ATOM 1269 CD PRO A 80 11.648 16.079 1.227 1.00 0.00 C ATOM 0 HA PRO A 80 12.883 13.076 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.791 14.675 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.907 15.054 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.221 16.275 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.701 17.067 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.651 16.495 1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.322 16.625 0.566 1.00 0.00 H new ATOM 1277 N VAL A 81 11.135 11.792 2.786 1.00 0.00 N ATOM 1278 CA VAL A 81 10.213 10.959 3.552 1.00 0.00 C ATOM 1279 C VAL A 81 10.586 10.970 5.037 1.00 0.00 C ATOM 1280 O VAL A 81 11.739 10.714 5.402 1.00 0.00 O ATOM 1281 CB VAL A 81 10.187 9.494 3.042 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.523 9.398 1.671 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.596 8.907 3.001 1.00 0.00 C ATOM 0 H VAL A 81 11.798 11.269 2.214 1.00 0.00 H new ATOM 0 HA VAL A 81 9.218 11.384 3.417 1.00 0.00 H new ATOM 0 HB VAL A 81 9.593 8.909 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.520 8.359 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.497 9.761 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.077 10.005 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.552 7.879 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.218 9.500 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.026 8.922 4.003 1.00 0.00 H new ATOM 1293 N ASN A 82 9.607 11.282 5.882 1.00 0.00 N ATOM 1294 CA ASN A 82 9.811 11.318 7.328 1.00 0.00 C ATOM 1295 C ASN A 82 9.936 9.893 7.870 1.00 0.00 C ATOM 1296 O ASN A 82 8.948 9.165 7.963 1.00 0.00 O ATOM 1297 CB ASN A 82 8.648 12.054 8.017 1.00 0.00 C ATOM 1298 CG ASN A 82 8.911 12.318 9.492 1.00 0.00 C ATOM 1299 OD1 ASN A 82 8.606 11.494 10.357 1.00 0.00 O ATOM 1300 ND2 ASN A 82 9.470 13.481 9.795 1.00 0.00 N ATOM 0 H ASN A 82 8.658 11.515 5.588 1.00 0.00 H new ATOM 0 HA ASN A 82 10.733 11.860 7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.471 13.002 7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.738 11.463 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.660 13.717 10.769 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.710 14.140 9.054 1.00 0.00 H new ATOM 1307 N ILE A 83 11.162 9.495 8.194 1.00 0.00 N ATOM 1308 CA ILE A 83 11.450 8.136 8.658 1.00 0.00 C ATOM 1309 C ILE A 83 12.481 8.163 9.787 1.00 0.00 C ATOM 1310 O ILE A 83 12.702 9.207 10.405 1.00 0.00 O ATOM 1311 CB ILE A 83 11.979 7.242 7.501 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.185 7.907 6.813 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.873 6.938 6.490 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.760 7.095 5.674 1.00 0.00 C ATOM 0 H ILE A 83 11.982 10.099 8.144 1.00 0.00 H new ATOM 0 HA ILE A 83 10.516 7.713 9.027 1.00 0.00 H new ATOM 0 HB ILE A 83 12.308 6.294 7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.883 8.884 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.965 8.080 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.272 6.311 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.057 6.415 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.500 7.871 6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.606 7.627 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.094 6.128 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.995 6.944 4.912 1.00 0.00 H new ATOM 1326 N ASP A 84 13.104 7.009 10.043 1.00 0.00 N ATOM 1327 CA ASP A 84 14.131 6.871 11.080 1.00 0.00 C ATOM 1328 C ASP A 84 15.166 7.985 10.960 1.00 0.00 C ATOM 1329 O ASP A 84 15.526 8.625 11.947 1.00 0.00 O ATOM 1330 CB ASP A 84 14.832 5.509 10.948 1.00 0.00 C ATOM 1331 CG ASP A 84 13.852 4.363 10.763 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.366 4.185 9.624 1.00 0.00 O ATOM 1333 OD2 ASP A 84 13.557 3.654 11.746 1.00 0.00 O ATOM 0 H ASP A 84 12.911 6.144 9.537 1.00 0.00 H new ATOM 0 HA ASP A 84 13.646 6.940 12.054 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.516 5.537 10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.435 5.327 11.838 1.00 0.00 H new ATOM 1338 N ARG A 85 15.645 8.181 9.728 1.00 0.00 N ATOM 1339 CA ARG A 85 16.570 9.263 9.375 1.00 0.00 C ATOM 1340 C ARG A 85 17.835 9.232 10.244 1.00 0.00 C ATOM 1341 O ARG A 85 18.885 8.747 9.814 1.00 0.00 O ATOM 1342 CB ARG A 85 15.868 10.632 9.481 1.00 0.00 C ATOM 1343 CG ARG A 85 16.188 11.575 8.324 1.00 0.00 C ATOM 1344 CD ARG A 85 15.533 11.117 7.021 1.00 0.00 C ATOM 1345 NE ARG A 85 15.901 11.966 5.885 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.334 11.893 4.676 1.00 0.00 C ATOM 1347 NH1 ARG A 85 14.308 11.078 4.458 1.00 0.00 N ATOM 1348 NH2 ARG A 85 15.769 12.666 3.691 1.00 0.00 N ATOM 0 H ARG A 85 15.398 7.585 8.938 1.00 0.00 H new ATOM 0 HA ARG A 85 16.879 9.110 8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.790 10.476 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.158 11.108 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.846 12.580 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.268 11.630 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.825 10.088 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.450 11.123 7.140 1.00 0.00 H new ATOM 0 HE ARG A 85 16.637 12.658 6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.945 10.500 5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.883 11.030 3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.537 13.317 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.336 12.610 2.769 1.00 0.00 H new ATOM 1362 N GLN A 86 17.720 9.727 11.475 1.00 0.00 N ATOM 1363 CA GLN A 86 18.840 9.753 12.414 1.00 0.00 C ATOM 1364 C GLN A 86 19.293 8.332 12.734 1.00 0.00 C ATOM 1365 O GLN A 86 20.486 8.063 12.886 1.00 0.00 O ATOM 1366 CB GLN A 86 18.434 10.470 13.708 1.00 0.00 C ATOM 1367 CG GLN A 86 17.976 11.910 13.505 1.00 0.00 C ATOM 1368 CD GLN A 86 17.555 12.583 14.802 1.00 0.00 C ATOM 1369 OE1 GLN A 86 18.078 12.277 15.873 1.00 0.00 O ATOM 1370 NE2 GLN A 86 16.602 13.499 14.716 1.00 0.00 N ATOM 0 H GLN A 86 16.855 10.119 11.848 1.00 0.00 H new ATOM 0 HA GLN A 86 19.665 10.295 11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.631 9.909 14.185 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.280 10.463 14.395 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.784 12.483 13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 86 17.140 11.925 12.805 1.00 0.00 H new ATOM 0 HE21 GLN A 86 16.193 13.725 13.810 1.00 0.00 H new ATOM 0 HE22 GLN A 86 16.278 13.978 15.556 1.00 0.00 H new ATOM 1379 N ALA A 87 18.324 7.427 12.823 1.00 0.00 N ATOM 1380 CA ALA A 87 18.591 6.025 13.141 1.00 0.00 C ATOM 1381 C ALA A 87 18.759 5.196 11.867 1.00 0.00 C ATOM 1382 O ALA A 87 18.822 3.967 11.919 1.00 0.00 O ATOM 1383 CB ALA A 87 17.463 5.459 14.003 1.00 0.00 C ATOM 0 H ALA A 87 17.337 7.640 12.678 1.00 0.00 H new ATOM 0 HA ALA A 87 19.525 5.972 13.701 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.671 4.414 14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.392 6.029 14.929 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.520 5.530 13.461 1.00 0.00 H new ATOM 1389 N TRP A 88 18.838 5.872 10.721 1.00 0.00 N ATOM 1390 CA TRP A 88 18.982 5.192 9.435 1.00 0.00 C ATOM 1391 C TRP A 88 20.440 4.761 9.236 1.00 0.00 C ATOM 1392 O TRP A 88 21.340 5.314 9.871 1.00 0.00 O ATOM 1393 CB TRP A 88 18.517 6.110 8.294 1.00 0.00 C ATOM 1394 CG TRP A 88 18.157 5.367 7.044 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.179 4.429 6.917 1.00 0.00 C ATOM 1396 CD2 TRP A 88 18.752 5.504 5.749 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.139 3.957 5.632 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.092 4.602 4.893 1.00 0.00 C ATOM 1399 CE3 TRP A 88 19.778 6.293 5.230 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.428 4.469 3.552 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.109 6.160 3.896 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.435 5.255 3.070 1.00 0.00 C ATOM 0 H TRP A 88 18.805 6.889 10.657 1.00 0.00 H new ATOM 0 HA TRP A 88 18.355 4.300 9.427 1.00 0.00 H new ATOM 0 HB2 TRP A 88 17.653 6.684 8.628 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.307 6.826 8.068 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.528 4.104 7.715 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.502 3.241 5.283 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.304 6.995 5.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 17.911 3.769 2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 20.902 6.766 3.483 1.00 0.00 H new ATOM 0 HH2 TRP A 88 19.717 5.176 2.030 1.00 0.00 H new ATOM 1413 N LEU A 89 20.674 3.789 8.351 1.00 0.00 N ATOM 1414 CA LEU A 89 22.014 3.217 8.188 1.00 0.00 C ATOM 1415 C LEU A 89 22.963 4.191 7.481 1.00 0.00 C ATOM 1416 O LEU A 89 24.176 4.145 7.686 1.00 0.00 O ATOM 1417 CB LEU A 89 21.997 1.820 7.495 1.00 0.00 C ATOM 1418 CG LEU A 89 21.050 1.586 6.287 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.587 1.504 6.722 1.00 0.00 C ATOM 1420 CD2 LEU A 89 21.229 2.645 5.206 1.00 0.00 C ATOM 0 H LEU A 89 19.962 3.385 7.742 1.00 0.00 H new ATOM 0 HA LEU A 89 22.401 3.053 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 89 23.013 1.606 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 89 21.748 1.079 8.255 1.00 0.00 H new ATOM 0 HG LEU A 89 21.329 0.624 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.956 1.340 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.461 0.677 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.299 2.437 7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 89 20.547 2.441 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 89 21.013 3.629 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 89 22.256 2.623 4.842 1.00 0.00 H new ATOM 1432 N GLY A 90 22.408 5.093 6.678 1.00 0.00 N ATOM 1433 CA GLY A 90 23.210 6.124 6.037 1.00 0.00 C ATOM 1434 C GLY A 90 23.662 5.757 4.632 1.00 0.00 C ATOM 1435 O GLY A 90 23.017 4.963 3.946 1.00 0.00 O ATOM 0 H GLY A 90 21.413 5.130 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.633 7.048 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.088 6.325 6.651 1.00 0.00 H new ATOM 1439 N GLU A 91 24.790 6.330 4.219 1.00 0.00 N ATOM 1440 CA GLU A 91 25.281 6.207 2.847 1.00 0.00 C ATOM 1441 C GLU A 91 25.987 4.868 2.613 1.00 0.00 C ATOM 1442 O GLU A 91 26.300 4.516 1.475 1.00 0.00 O ATOM 1443 CB GLU A 91 26.220 7.383 2.526 1.00 0.00 C ATOM 1444 CG GLU A 91 26.673 7.448 1.069 1.00 0.00 C ATOM 1445 CD GLU A 91 27.515 8.677 0.769 1.00 0.00 C ATOM 1446 OE1 GLU A 91 28.677 8.734 1.219 1.00 0.00 O ATOM 1447 OE2 GLU A 91 27.020 9.595 0.077 1.00 0.00 O ATOM 0 H GLU A 91 25.389 6.892 4.824 1.00 0.00 H new ATOM 0 HA GLU A 91 24.424 6.237 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 91 25.715 8.315 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.100 7.314 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 91 27.248 6.553 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 91 25.797 7.446 0.420 1.00 0.00 H new ATOM 1454 N GLU A 92 26.218 4.111 3.683 1.00 0.00 N ATOM 1455 CA GLU A 92 26.927 2.835 3.580 1.00 0.00 C ATOM 1456 C GLU A 92 26.173 1.876 2.662 1.00 0.00 C ATOM 1457 O GLU A 92 26.762 0.963 2.077 1.00 0.00 O ATOM 1458 CB GLU A 92 27.120 2.201 4.966 1.00 0.00 C ATOM 1459 CG GLU A 92 25.820 1.911 5.709 1.00 0.00 C ATOM 1460 CD GLU A 92 26.054 1.201 7.032 1.00 0.00 C ATOM 1461 OE1 GLU A 92 26.344 1.879 8.040 1.00 0.00 O ATOM 1462 OE2 GLU A 92 25.958 -0.043 7.072 1.00 0.00 O ATOM 0 H GLU A 92 25.926 4.357 4.629 1.00 0.00 H new ATOM 0 HA GLU A 92 27.910 3.030 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.676 1.270 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.733 2.866 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.292 2.847 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.174 1.298 5.080 1.00 0.00 H new ATOM 1469 N VAL A 93 24.869 2.110 2.521 1.00 0.00 N ATOM 1470 CA VAL A 93 24.022 1.273 1.679 1.00 0.00 C ATOM 1471 C VAL A 93 24.415 1.403 0.201 1.00 0.00 C ATOM 1472 O VAL A 93 24.166 0.503 -0.600 1.00 0.00 O ATOM 1473 CB VAL A 93 22.518 1.610 1.865 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.217 3.051 1.462 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.634 0.638 1.086 1.00 0.00 C ATOM 0 H VAL A 93 24.377 2.875 2.982 1.00 0.00 H new ATOM 0 HA VAL A 93 24.178 0.241 1.992 1.00 0.00 H new ATOM 0 HB VAL A 93 22.289 1.502 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.156 3.254 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.803 3.732 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.477 3.198 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.586 0.899 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.875 0.698 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 93 21.809 -0.378 1.441 1.00 0.00 H new ATOM 1485 N LEU A 94 25.044 2.528 -0.148 1.00 0.00 N ATOM 1486 CA LEU A 94 25.533 2.752 -1.509 1.00 0.00 C ATOM 1487 C LEU A 94 26.725 1.842 -1.795 1.00 0.00 C ATOM 1488 O LEU A 94 26.939 1.416 -2.932 1.00 0.00 O ATOM 1489 CB LEU A 94 25.939 4.225 -1.720 1.00 0.00 C ATOM 1490 CG LEU A 94 24.786 5.239 -1.852 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.841 4.836 -2.977 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.027 5.397 -0.538 1.00 0.00 C ATOM 0 H LEU A 94 25.226 3.299 0.495 1.00 0.00 H new ATOM 0 HA LEU A 94 24.723 2.517 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.568 4.530 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.552 4.285 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 94 25.223 6.207 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 94 23.034 5.565 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 94 24.390 4.802 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.422 3.852 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.221 6.119 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.608 4.435 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.709 5.749 0.236 1.00 0.00 H new ATOM 1504 N ALA A 95 27.496 1.551 -0.751 1.00 0.00 N ATOM 1505 CA ALA A 95 28.675 0.704 -0.874 1.00 0.00 C ATOM 1506 C ALA A 95 28.280 -0.769 -0.853 1.00 0.00 C ATOM 1507 O ALA A 95 28.575 -1.515 -1.790 1.00 0.00 O ATOM 1508 CB ALA A 95 29.668 1.012 0.242 1.00 0.00 C ATOM 0 H ALA A 95 27.323 1.892 0.194 1.00 0.00 H new ATOM 0 HA ALA A 95 29.155 0.914 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.544 0.371 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.973 2.057 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.198 0.828 1.208 1.00 0.00 H new ATOM 1514 N GLU A 96 27.592 -1.172 0.211 1.00 0.00 N ATOM 1515 CA GLU A 96 27.184 -2.562 0.402 1.00 0.00 C ATOM 1516 C GLU A 96 25.662 -2.655 0.545 1.00 0.00 C ATOM 1517 O GLU A 96 25.129 -2.557 1.654 1.00 0.00 O ATOM 1518 CB GLU A 96 27.871 -3.141 1.648 1.00 0.00 C ATOM 1519 CG GLU A 96 29.392 -3.204 1.540 1.00 0.00 C ATOM 1520 CD GLU A 96 29.863 -4.240 0.531 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.929 -5.435 0.893 1.00 0.00 O ATOM 1522 OE2 GLU A 96 30.170 -3.873 -0.624 1.00 0.00 O ATOM 0 H GLU A 96 27.302 -0.547 0.963 1.00 0.00 H new ATOM 0 HA GLU A 96 27.486 -3.141 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.602 -2.536 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.487 -4.145 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.773 -2.224 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.813 -3.437 2.518 1.00 0.00 H new ATOM 1529 N PRO A 97 24.939 -2.818 -0.578 1.00 0.00 N ATOM 1530 CA PRO A 97 23.482 -2.882 -0.576 1.00 0.00 C ATOM 1531 C PRO A 97 22.946 -4.307 -0.427 1.00 0.00 C ATOM 1532 O PRO A 97 23.700 -5.283 -0.490 1.00 0.00 O ATOM 1533 CB PRO A 97 23.140 -2.319 -1.958 1.00 0.00 C ATOM 1534 CG PRO A 97 24.258 -2.788 -2.839 1.00 0.00 C ATOM 1535 CD PRO A 97 25.479 -2.942 -1.949 1.00 0.00 C ATOM 0 HA PRO A 97 23.040 -2.342 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.176 -2.687 -2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.078 -1.231 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.004 -3.735 -3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.449 -2.071 -3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.965 -3.906 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.224 -2.173 -2.156 1.00 0.00 H new ATOM 1543 N ARG A 98 21.638 -4.405 -0.223 1.00 0.00 N ATOM 1544 CA ARG A 98 20.933 -5.681 -0.186 1.00 0.00 C ATOM 1545 C ARG A 98 19.431 -5.400 -0.262 1.00 0.00 C ATOM 1546 O ARG A 98 18.986 -4.334 0.164 1.00 0.00 O ATOM 1547 CB ARG A 98 21.294 -6.490 1.076 1.00 0.00 C ATOM 1548 CG ARG A 98 20.732 -5.925 2.373 1.00 0.00 C ATOM 1549 CD ARG A 98 21.190 -6.733 3.583 1.00 0.00 C ATOM 1550 NE ARG A 98 20.494 -6.329 4.807 1.00 0.00 N ATOM 1551 CZ ARG A 98 21.104 -6.020 5.951 1.00 0.00 C ATOM 1552 NH1 ARG A 98 22.430 -6.038 6.026 1.00 0.00 N ATOM 1553 NH2 ARG A 98 20.383 -5.697 7.019 1.00 0.00 N ATOM 0 H ARG A 98 21.033 -3.597 -0.078 1.00 0.00 H new ATOM 0 HA ARG A 98 21.235 -6.292 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.932 -7.511 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.380 -6.544 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.049 -4.888 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.643 -5.922 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.014 -7.793 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.264 -6.607 3.718 1.00 0.00 H new ATOM 0 HE ARG A 98 19.475 -6.281 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.984 -6.289 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.894 -5.801 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.365 -5.686 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.848 -5.460 7.896 1.00 0.00 H new ATOM 1567 N PRO A 99 18.632 -6.340 -0.796 1.00 0.00 N ATOM 1568 CA PRO A 99 17.220 -6.088 -1.139 1.00 0.00 C ATOM 1569 C PRO A 99 16.368 -5.635 0.053 1.00 0.00 C ATOM 1570 O PRO A 99 15.404 -4.890 -0.114 1.00 0.00 O ATOM 1571 CB PRO A 99 16.733 -7.447 -1.677 1.00 0.00 C ATOM 1572 CG PRO A 99 17.700 -8.443 -1.137 1.00 0.00 C ATOM 1573 CD PRO A 99 19.022 -7.732 -1.090 1.00 0.00 C ATOM 0 HA PRO A 99 17.127 -5.269 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.717 -7.662 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.721 -7.459 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.401 -8.783 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.751 -9.326 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.674 -8.141 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.558 -7.811 -2.036 1.00 0.00 H new ATOM 1581 N ASP A 100 16.738 -6.062 1.253 1.00 0.00 N ATOM 1582 CA ASP A 100 15.923 -5.802 2.444 1.00 0.00 C ATOM 1583 C ASP A 100 16.358 -4.531 3.172 1.00 0.00 C ATOM 1584 O ASP A 100 15.786 -4.183 4.206 1.00 0.00 O ATOM 1585 CB ASP A 100 15.983 -6.999 3.400 1.00 0.00 C ATOM 1586 CG ASP A 100 17.393 -7.285 3.884 1.00 0.00 C ATOM 1587 OD1 ASP A 100 18.212 -7.747 3.066 1.00 0.00 O ATOM 1588 OD2 ASP A 100 17.690 -7.047 5.076 1.00 0.00 O ATOM 0 H ASP A 100 17.593 -6.588 1.433 1.00 0.00 H new ATOM 0 HA ASP A 100 14.897 -5.655 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.339 -6.807 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 100 15.589 -7.882 2.897 1.00 0.00 H new ATOM 1593 N MET A 101 17.349 -3.829 2.620 1.00 0.00 N ATOM 1594 CA MET A 101 17.864 -2.598 3.236 1.00 0.00 C ATOM 1595 C MET A 101 16.741 -1.610 3.541 1.00 0.00 C ATOM 1596 O MET A 101 16.589 -1.160 4.675 1.00 0.00 O ATOM 1597 CB MET A 101 18.906 -1.919 2.329 1.00 0.00 C ATOM 1598 CG MET A 101 20.320 -2.450 2.497 1.00 0.00 C ATOM 1599 SD MET A 101 20.965 -2.174 4.158 1.00 0.00 S ATOM 1600 CE MET A 101 22.629 -2.813 3.998 1.00 0.00 C ATOM 0 H MET A 101 17.812 -4.088 1.749 1.00 0.00 H new ATOM 0 HA MET A 101 18.338 -2.889 4.173 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.604 -2.046 1.289 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.906 -0.848 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 101 20.333 -3.518 2.278 1.00 0.00 H new ATOM 0 HG3 MET A 101 20.975 -1.968 1.771 1.00 0.00 H new ATOM 0 HE1 MET A 101 22.839 -3.492 4.824 1.00 0.00 H new ATOM 0 HE2 MET A 101 22.723 -3.350 3.054 1.00 0.00 H new ATOM 0 HE3 MET A 101 23.340 -1.987 4.018 1.00 0.00 H new ATOM 1610 N PHE A 102 15.955 -1.281 2.522 1.00 0.00 N ATOM 1611 CA PHE A 102 14.932 -0.243 2.646 1.00 0.00 C ATOM 1612 C PHE A 102 13.589 -0.827 3.084 1.00 0.00 C ATOM 1613 O PHE A 102 12.635 -0.084 3.309 1.00 0.00 O ATOM 1614 CB PHE A 102 14.772 0.512 1.313 1.00 0.00 C ATOM 1615 CG PHE A 102 16.013 1.252 0.851 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.138 1.350 1.661 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.049 1.849 -0.403 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.264 2.023 1.231 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.177 2.524 -0.834 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.285 2.610 -0.017 1.00 0.00 C ATOM 0 H PHE A 102 16.005 -1.716 1.601 1.00 0.00 H new ATOM 0 HA PHE A 102 15.260 0.455 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.481 -0.200 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.955 1.227 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.131 0.894 2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.186 1.785 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.130 2.090 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.190 2.984 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.166 3.135 -0.354 1.00 0.00 H new ATOM 1630 N ARG A 103 13.523 -2.153 3.231 1.00 0.00 N ATOM 1631 CA ARG A 103 12.265 -2.827 3.572 1.00 0.00 C ATOM 1632 C ARG A 103 11.712 -2.298 4.894 1.00 0.00 C ATOM 1633 O ARG A 103 10.497 -2.186 5.077 1.00 0.00 O ATOM 1634 CB ARG A 103 12.459 -4.348 3.665 1.00 0.00 C ATOM 1635 CG ARG A 103 11.144 -5.126 3.759 1.00 0.00 C ATOM 1636 CD ARG A 103 11.363 -6.618 3.998 1.00 0.00 C ATOM 1637 NE ARG A 103 11.749 -6.908 5.384 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.740 -7.732 5.737 1.00 0.00 C ATOM 1639 NH1 ARG A 103 13.482 -8.324 4.808 1.00 0.00 N ATOM 1640 NH2 ARG A 103 12.982 -7.971 7.021 1.00 0.00 N ATOM 0 H ARG A 103 14.321 -2.779 3.120 1.00 0.00 H new ATOM 0 HA ARG A 103 11.551 -2.615 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.013 -4.690 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.070 -4.576 4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.540 -4.716 4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.577 -4.988 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.449 -7.161 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.138 -6.982 3.323 1.00 0.00 H new ATOM 0 HE ARG A 103 11.225 -6.449 6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.297 -8.150 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.237 -8.952 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.411 -7.525 7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.739 -8.600 7.289 1.00 0.00 H new ATOM 1654 N ALA A 104 12.616 -1.969 5.811 1.00 0.00 N ATOM 1655 CA ALA A 104 12.232 -1.423 7.105 1.00 0.00 C ATOM 1656 C ALA A 104 11.508 -0.092 6.924 1.00 0.00 C ATOM 1657 O ALA A 104 10.458 0.148 7.525 1.00 0.00 O ATOM 1658 CB ALA A 104 13.458 -1.249 7.996 1.00 0.00 C ATOM 0 H ALA A 104 13.622 -2.072 5.680 1.00 0.00 H new ATOM 0 HA ALA A 104 11.552 -2.124 7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.153 -0.840 8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.938 -2.216 8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.161 -0.567 7.518 1.00 0.00 H new ATOM 1664 N GLN A 105 12.068 0.761 6.069 1.00 0.00 N ATOM 1665 CA GLN A 105 11.500 2.078 5.809 1.00 0.00 C ATOM 1666 C GLN A 105 10.276 1.979 4.902 1.00 0.00 C ATOM 1667 O GLN A 105 9.424 2.871 4.905 1.00 0.00 O ATOM 1668 CB GLN A 105 12.556 3.021 5.213 1.00 0.00 C ATOM 1669 CG GLN A 105 13.621 3.448 6.221 1.00 0.00 C ATOM 1670 CD GLN A 105 14.498 2.297 6.689 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.790 1.375 5.928 1.00 0.00 O ATOM 1672 NE2 GLN A 105 14.891 2.327 7.952 1.00 0.00 N ATOM 0 H GLN A 105 12.919 0.560 5.543 1.00 0.00 H new ATOM 0 HA GLN A 105 11.174 2.498 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.040 2.527 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.060 3.909 4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.250 4.216 5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.134 3.900 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.627 3.110 8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.458 1.567 8.328 1.00 0.00 H new ATOM 1681 N GLN A 106 10.185 0.891 4.137 1.00 0.00 N ATOM 1682 CA GLN A 106 8.992 0.614 3.344 1.00 0.00 C ATOM 1683 C GLN A 106 7.783 0.555 4.270 1.00 0.00 C ATOM 1684 O GLN A 106 6.805 1.289 4.104 1.00 0.00 O ATOM 1685 CB GLN A 106 9.120 -0.727 2.603 1.00 0.00 C ATOM 1686 CG GLN A 106 7.909 -1.056 1.730 1.00 0.00 C ATOM 1687 CD GLN A 106 7.758 -2.537 1.429 1.00 0.00 C ATOM 1688 OE1 GLN A 106 8.132 -3.392 2.235 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.194 -2.848 0.271 1.00 0.00 N ATOM 0 H GLN A 106 10.922 0.191 4.051 1.00 0.00 H new ATOM 0 HA GLN A 106 8.873 1.408 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.013 -0.705 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.260 -1.525 3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.006 -0.702 2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.990 -0.510 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.899 -2.109 -0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.055 -3.826 0.018 1.00 0.00 H new ATOM 1698 N LEU A 107 7.882 -0.319 5.265 1.00 0.00 N ATOM 1699 CA LEU A 107 6.806 -0.517 6.224 1.00 0.00 C ATOM 1700 C LEU A 107 6.690 0.696 7.149 1.00 0.00 C ATOM 1701 O LEU A 107 5.604 1.012 7.637 1.00 0.00 O ATOM 1702 CB LEU A 107 7.046 -1.792 7.044 1.00 0.00 C ATOM 1703 CG LEU A 107 5.818 -2.317 7.804 1.00 0.00 C ATOM 1704 CD1 LEU A 107 4.770 -2.859 6.834 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.223 -3.381 8.826 1.00 0.00 C ATOM 0 H LEU A 107 8.702 -0.904 5.427 1.00 0.00 H new ATOM 0 HA LEU A 107 5.870 -0.629 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.402 -2.575 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.844 -1.600 7.762 1.00 0.00 H new ATOM 0 HG LEU A 107 5.373 -1.483 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.910 -3.225 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.452 -2.063 6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.199 -3.676 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.337 -3.737 9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.700 -4.216 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.921 -2.949 9.543 1.00 0.00 H new ATOM 1717 N GLN A 108 7.817 1.368 7.383 1.00 0.00 N ATOM 1718 CA GLN A 108 7.841 2.591 8.188 1.00 0.00 C ATOM 1719 C GLN A 108 6.891 3.626 7.584 1.00 0.00 C ATOM 1720 O GLN A 108 5.966 4.102 8.247 1.00 0.00 O ATOM 1721 CB GLN A 108 9.269 3.156 8.251 1.00 0.00 C ATOM 1722 CG GLN A 108 9.460 4.323 9.218 1.00 0.00 C ATOM 1723 CD GLN A 108 9.440 3.900 10.681 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.766 2.942 11.061 1.00 0.00 O ATOM 1725 NE2 GLN A 108 10.198 4.601 11.509 1.00 0.00 N ATOM 0 H GLN A 108 8.729 1.085 7.025 1.00 0.00 H new ATOM 0 HA GLN A 108 7.514 2.356 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.949 2.353 8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.560 3.481 7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.409 4.814 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.674 5.059 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.743 5.389 11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.237 4.354 12.498 1.00 0.00 H new ATOM 1734 N ILE A 109 7.117 3.948 6.310 1.00 0.00 N ATOM 1735 CA ILE A 109 6.255 4.876 5.583 1.00 0.00 C ATOM 1736 C ILE A 109 4.834 4.324 5.493 1.00 0.00 C ATOM 1737 O ILE A 109 3.863 5.070 5.625 1.00 0.00 O ATOM 1738 CB ILE A 109 6.807 5.177 4.157 1.00 0.00 C ATOM 1739 CG1 ILE A 109 8.020 6.124 4.233 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.725 5.767 3.250 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.721 7.448 4.908 1.00 0.00 C ATOM 0 H ILE A 109 7.892 3.578 5.760 1.00 0.00 H new ATOM 0 HA ILE A 109 6.239 5.814 6.138 1.00 0.00 H new ATOM 0 HB ILE A 109 7.128 4.231 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.825 5.625 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.384 6.315 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.145 5.965 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.901 5.059 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.357 6.698 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.623 8.060 4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.938 7.969 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.387 7.268 5.930 1.00 0.00 H new ATOM 1753 N PHE A 110 4.722 3.010 5.293 1.00 0.00 N ATOM 1754 CA PHE A 110 3.421 2.347 5.218 1.00 0.00 C ATOM 1755 C PHE A 110 2.560 2.704 6.433 1.00 0.00 C ATOM 1756 O PHE A 110 1.444 3.204 6.290 1.00 0.00 O ATOM 1757 CB PHE A 110 3.603 0.821 5.128 1.00 0.00 C ATOM 1758 CG PHE A 110 2.304 0.057 5.000 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.562 -0.289 6.125 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.820 -0.304 3.752 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.370 -0.976 6.002 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.628 -0.989 3.625 1.00 0.00 C ATOM 1763 CZ PHE A 110 -0.098 -1.324 4.750 1.00 0.00 C ATOM 0 H PHE A 110 5.519 2.383 5.180 1.00 0.00 H new ATOM 0 HA PHE A 110 2.912 2.695 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.235 0.590 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.131 0.475 6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.922 -0.017 7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.383 -0.046 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.195 -1.241 6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.264 -1.263 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.032 -1.858 4.651 1.00 0.00 H new ATOM 1773 N ASN A 111 3.093 2.456 7.627 1.00 0.00 N ATOM 1774 CA ASN A 111 2.356 2.711 8.863 1.00 0.00 C ATOM 1775 C ASN A 111 2.197 4.211 9.105 1.00 0.00 C ATOM 1776 O ASN A 111 1.215 4.645 9.707 1.00 0.00 O ATOM 1777 CB ASN A 111 3.044 2.053 10.071 1.00 0.00 C ATOM 1778 CG ASN A 111 2.958 0.534 10.047 1.00 0.00 C ATOM 1779 OD1 ASN A 111 1.981 -0.053 10.514 1.00 0.00 O ATOM 1780 ND2 ASN A 111 3.986 -0.119 9.526 1.00 0.00 N ATOM 0 H ASN A 111 4.031 2.079 7.765 1.00 0.00 H new ATOM 0 HA ASN A 111 1.367 2.268 8.748 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.092 2.352 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.587 2.423 10.989 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.984 -1.139 9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.780 0.398 9.148 1.00 0.00 H new ATOM 1787 N LEU A 112 3.156 4.995 8.621 1.00 0.00 N ATOM 1788 CA LEU A 112 3.127 6.447 8.793 1.00 0.00 C ATOM 1789 C LEU A 112 1.914 7.051 8.082 1.00 0.00 C ATOM 1790 O LEU A 112 1.178 7.851 8.656 1.00 0.00 O ATOM 1791 CB LEU A 112 4.421 7.074 8.249 1.00 0.00 C ATOM 1792 CG LEU A 112 4.564 8.590 8.472 1.00 0.00 C ATOM 1793 CD1 LEU A 112 4.668 8.914 9.963 1.00 0.00 C ATOM 1794 CD2 LEU A 112 5.772 9.136 7.711 1.00 0.00 C ATOM 0 H LEU A 112 3.965 4.650 8.105 1.00 0.00 H new ATOM 0 HA LEU A 112 3.049 6.664 9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.271 6.574 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.480 6.874 7.179 1.00 0.00 H new ATOM 0 HG LEU A 112 3.669 9.076 8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.768 9.991 10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.770 8.568 10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.540 8.414 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.855 10.209 7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.677 8.641 8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.646 8.947 6.645 1.00 0.00 H new ATOM 1806 N MET A 113 1.707 6.651 6.831 1.00 0.00 N ATOM 1807 CA MET A 113 0.603 7.173 6.021 1.00 0.00 C ATOM 1808 C MET A 113 -0.636 6.288 6.136 1.00 0.00 C ATOM 1809 O MET A 113 -1.664 6.560 5.507 1.00 0.00 O ATOM 1810 CB MET A 113 1.039 7.320 4.556 1.00 0.00 C ATOM 1811 CG MET A 113 1.462 6.021 3.887 1.00 0.00 C ATOM 1812 SD MET A 113 1.918 6.257 2.156 1.00 0.00 S ATOM 1813 CE MET A 113 2.508 4.619 1.727 1.00 0.00 C ATOM 0 H MET A 113 2.290 5.965 6.352 1.00 0.00 H new ATOM 0 HA MET A 113 0.338 8.159 6.403 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.217 7.755 3.988 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.868 8.025 4.507 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.307 5.595 4.428 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.647 5.300 3.950 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.358 4.704 1.049 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.816 4.095 2.632 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.709 4.061 1.239 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.543 5.259 6.974 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.664 4.354 7.234 1.00 0.00 C ATOM 1825 C LYS A 114 -2.846 5.115 7.853 1.00 0.00 C ATOM 1826 O LYS A 114 -3.984 4.645 7.823 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.215 3.220 8.167 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.308 2.204 8.487 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.800 1.092 9.399 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.918 0.136 9.805 1.00 0.00 C ATOM 1831 NZ LYS A 114 -3.998 0.824 10.566 1.00 0.00 N ATOM 0 H LYS A 114 0.306 5.028 7.490 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.992 3.927 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.374 2.700 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.853 3.653 9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.147 2.711 8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.684 1.770 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.013 0.536 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.354 1.530 10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.342 -0.325 8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.503 -0.668 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.597 0.115 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.575 1.448 11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.577 1.389 9.913 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.565 6.293 8.415 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.601 7.137 9.016 1.00 0.00 C ATOM 1847 C PHE A 115 -3.508 8.578 8.499 1.00 0.00 C ATOM 1848 O PHE A 115 -4.061 9.502 9.099 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.500 7.098 10.554 1.00 0.00 C ATOM 1850 CG PHE A 115 -2.165 7.548 11.109 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -1.085 6.676 11.153 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -1.996 8.837 11.597 1.00 0.00 C ATOM 1853 CE1 PHE A 115 0.132 7.080 11.669 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -0.778 9.245 12.113 1.00 0.00 C ATOM 1855 CZ PHE A 115 0.285 8.367 12.149 1.00 0.00 C ATOM 0 H PHE A 115 -1.625 6.685 8.466 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.574 6.742 8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.284 7.729 10.973 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.695 6.080 10.892 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.197 5.669 10.779 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.825 9.529 11.574 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.963 6.390 11.697 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -0.660 10.251 12.487 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.235 8.685 12.552 1.00 0.00 H new ATOM 1865 N ASP A 116 -2.840 8.756 7.358 1.00 0.00 N ATOM 1866 CA ASP A 116 -2.683 10.081 6.746 1.00 0.00 C ATOM 1867 C ASP A 116 -3.216 10.080 5.319 1.00 0.00 C ATOM 1868 O ASP A 116 -4.357 10.484 5.076 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.214 10.540 6.767 1.00 0.00 C ATOM 1870 CG ASP A 116 -0.820 11.180 8.088 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -0.463 10.450 9.029 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -0.868 12.426 8.189 1.00 0.00 O ATOM 0 H ASP A 116 -2.398 7.999 6.837 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.264 10.788 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -0.567 9.684 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.048 11.252 5.959 1.00 0.00 H new ATOM 1877 N SER A 117 -2.402 9.609 4.377 1.00 0.00 N ATOM 1878 CA SER A 117 -2.811 9.536 2.980 1.00 0.00 C ATOM 1879 C SER A 117 -3.973 8.560 2.847 1.00 0.00 C ATOM 1880 O SER A 117 -4.932 8.802 2.110 1.00 0.00 O ATOM 1881 CB SER A 117 -1.631 9.099 2.107 1.00 0.00 C ATOM 1882 OG SER A 117 -1.104 7.861 2.550 1.00 0.00 O ATOM 0 H SER A 117 -1.456 9.273 4.557 1.00 0.00 H new ATOM 0 HA SER A 117 -3.135 10.520 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.954 9.011 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.852 9.861 2.134 1.00 0.00 H new ATOM 0 HG SER A 117 -0.463 7.523 1.890 1.00 0.00 H new ATOM 1888 N TYR A 118 -3.880 7.464 3.598 1.00 0.00 N ATOM 1889 CA TYR A 118 -4.955 6.479 3.667 1.00 0.00 C ATOM 1890 C TYR A 118 -6.242 7.138 4.154 1.00 0.00 C ATOM 1891 O TYR A 118 -7.279 7.068 3.493 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.554 5.336 4.606 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.669 4.348 4.918 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -5.960 3.296 4.056 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.415 4.460 6.086 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -6.958 2.388 4.349 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.410 3.554 6.389 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.679 2.521 5.519 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.659 1.608 5.831 1.00 0.00 O ATOM 0 H TYR A 118 -3.066 7.236 4.169 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.129 6.072 2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.720 4.793 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.193 5.763 5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.396 3.187 3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.212 5.272 6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.173 1.579 3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.975 3.654 7.304 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.068 1.848 6.689 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.147 7.804 5.304 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.304 8.438 5.933 1.00 0.00 C ATOM 1911 C ALA A 119 -7.905 9.516 5.033 1.00 0.00 C ATOM 1912 O ALA A 119 -9.090 9.828 5.131 1.00 0.00 O ATOM 1913 CB ALA A 119 -6.912 9.027 7.283 1.00 0.00 C ATOM 0 H ALA A 119 -5.275 7.919 5.821 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.065 7.673 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.782 9.496 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -6.543 8.233 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.130 9.773 7.141 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.078 10.087 4.166 1.00 0.00 N ATOM 1920 CA ARG A 120 -7.535 11.100 3.221 1.00 0.00 C ATOM 1921 C ARG A 120 -8.298 10.451 2.066 1.00 0.00 C ATOM 1922 O ARG A 120 -9.434 10.830 1.757 1.00 0.00 O ATOM 1923 CB ARG A 120 -6.334 11.890 2.676 1.00 0.00 C ATOM 1924 CG ARG A 120 -6.702 12.967 1.658 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.529 14.090 2.278 1.00 0.00 C ATOM 1926 NE ARG A 120 -7.899 15.105 1.287 1.00 0.00 N ATOM 1927 CZ ARG A 120 -7.067 16.040 0.814 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -5.811 16.121 1.242 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -7.496 16.901 -0.094 1.00 0.00 N ATOM 0 H ARG A 120 -6.085 9.866 4.097 1.00 0.00 H new ATOM 0 HA ARG A 120 -8.206 11.782 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.813 12.358 3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.635 11.193 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.791 13.384 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.263 12.515 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.431 13.673 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.962 14.558 3.083 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.856 15.098 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.467 15.464 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.191 16.840 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.458 16.850 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.865 17.616 -0.457 1.00 0.00 H new ATOM 1943 N PHE A 121 -7.673 9.455 1.446 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.209 8.854 0.231 1.00 0.00 C ATOM 1945 C PHE A 121 -9.533 8.137 0.492 1.00 0.00 C ATOM 1946 O PHE A 121 -10.479 8.278 -0.279 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.196 7.883 -0.383 1.00 0.00 C ATOM 1948 CG PHE A 121 -7.616 7.366 -1.738 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -7.598 8.202 -2.846 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.037 6.054 -1.903 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -7.990 7.739 -4.089 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.430 5.589 -3.142 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.406 6.430 -4.236 1.00 0.00 C ATOM 0 H PHE A 121 -6.794 9.047 1.766 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.399 9.662 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.232 8.383 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.055 7.040 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.274 9.226 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.057 5.389 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.971 8.400 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -8.757 4.566 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.712 6.065 -5.205 1.00 0.00 H new ATOM 1963 N VAL A 122 -9.615 7.386 1.585 1.00 0.00 N ATOM 1964 CA VAL A 122 -10.823 6.613 1.879 1.00 0.00 C ATOM 1965 C VAL A 122 -12.003 7.526 2.240 1.00 0.00 C ATOM 1966 O VAL A 122 -13.136 7.063 2.375 1.00 0.00 O ATOM 1967 CB VAL A 122 -10.586 5.573 3.007 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -9.507 4.572 2.596 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -10.222 6.257 4.323 1.00 0.00 C ATOM 0 H VAL A 122 -8.871 7.294 2.276 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.073 6.070 0.967 1.00 0.00 H new ATOM 0 HB VAL A 122 -11.517 5.029 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.355 3.851 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -9.821 4.048 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -8.574 5.102 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.062 5.502 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -9.310 6.839 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.034 6.918 4.626 1.00 0.00 H new ATOM 1979 N LYS A 123 -11.733 8.825 2.398 1.00 0.00 N ATOM 1980 CA LYS A 123 -12.789 9.816 2.637 1.00 0.00 C ATOM 1981 C LYS A 123 -13.065 10.643 1.378 1.00 0.00 C ATOM 1982 O LYS A 123 -14.115 11.279 1.271 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.417 10.757 3.801 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.829 10.254 5.186 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.069 9.002 5.606 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.455 8.548 7.009 1.00 0.00 C ATOM 1987 NZ LYS A 123 -12.231 9.612 8.026 1.00 0.00 N ATOM 0 H LYS A 123 -10.792 9.216 2.365 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.692 9.267 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -11.338 10.914 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -12.882 11.728 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -12.658 11.041 5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -13.898 10.043 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.270 8.200 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -10.997 9.198 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -13.505 8.254 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.875 7.665 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -12.260 9.194 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.302 10.052 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -12.975 10.334 7.942 1.00 0.00 H new ATOM 2001 N SER A 124 -12.121 10.636 0.434 1.00 0.00 N ATOM 2002 CA SER A 124 -12.235 11.451 -0.778 1.00 0.00 C ATOM 2003 C SER A 124 -13.482 11.080 -1.591 1.00 0.00 C ATOM 2004 O SER A 124 -13.869 9.907 -1.648 1.00 0.00 O ATOM 2005 CB SER A 124 -10.984 11.290 -1.655 1.00 0.00 C ATOM 2006 OG SER A 124 -10.925 10.001 -2.241 1.00 0.00 O ATOM 0 H SER A 124 -11.270 10.076 0.485 1.00 0.00 H new ATOM 0 HA SER A 124 -12.326 12.491 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.987 12.048 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.091 11.459 -1.053 1.00 0.00 H new ATOM 0 HG SER A 124 -10.759 9.332 -1.544 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.126 12.075 -2.238 1.00 0.00 N ATOM 2013 CA PRO A 125 -15.284 11.833 -3.109 1.00 0.00 C ATOM 2014 C PRO A 125 -14.958 10.840 -4.227 1.00 0.00 C ATOM 2015 O PRO A 125 -15.819 10.072 -4.660 1.00 0.00 O ATOM 2016 CB PRO A 125 -15.601 13.223 -3.687 1.00 0.00 C ATOM 2017 CG PRO A 125 -15.019 14.183 -2.704 1.00 0.00 C ATOM 2018 CD PRO A 125 -13.789 13.511 -2.155 1.00 0.00 C ATOM 0 HA PRO A 125 -16.121 11.391 -2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.159 13.351 -4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.675 13.371 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.767 15.129 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.730 14.408 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.902 13.751 -2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.585 13.819 -1.129 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.700 10.860 -4.676 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.229 9.958 -5.728 1.00 0.00 C ATOM 2028 C LEU A 126 -13.465 8.509 -5.303 1.00 0.00 C ATOM 2029 O LEU A 126 -13.986 7.699 -6.074 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.733 10.224 -6.012 1.00 0.00 C ATOM 2031 CG LEU A 126 -11.131 9.558 -7.268 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.816 10.238 -7.650 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -10.899 8.063 -7.049 1.00 0.00 C ATOM 0 H LEU A 126 -12.985 11.497 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.785 10.139 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.590 11.301 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.159 9.895 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.847 9.675 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.403 9.758 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.999 11.292 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.108 10.149 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.475 7.625 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.209 7.920 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.848 7.577 -6.821 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.098 8.206 -4.059 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.294 6.874 -3.495 1.00 0.00 C ATOM 2047 C TYR A 127 -14.759 6.457 -3.604 1.00 0.00 C ATOM 2048 O TYR A 127 -15.072 5.362 -4.066 1.00 0.00 O ATOM 2049 CB TYR A 127 -12.840 6.848 -2.027 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.119 5.539 -1.305 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -12.511 4.355 -1.708 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -13.985 5.490 -0.216 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -12.757 3.165 -1.049 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.235 4.303 0.447 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.618 3.143 0.028 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.858 1.959 0.688 1.00 0.00 O ATOM 0 H TYR A 127 -12.661 8.870 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 127 -12.691 6.165 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -11.770 7.050 -1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -13.337 7.657 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -11.835 4.365 -2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -14.470 6.396 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.276 2.255 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -14.911 4.284 1.289 1.00 0.00 H new ATOM 0 HH TYR A 127 -14.487 2.116 1.423 1.00 0.00 H new ATOM 2066 N ARG A 128 -15.653 7.355 -3.202 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.087 7.076 -3.215 1.00 0.00 C ATOM 2068 C ARG A 128 -17.583 6.846 -4.639 1.00 0.00 C ATOM 2069 O ARG A 128 -18.404 5.962 -4.877 1.00 0.00 O ATOM 2070 CB ARG A 128 -17.859 8.228 -2.555 1.00 0.00 C ATOM 2071 CG ARG A 128 -17.423 8.511 -1.118 1.00 0.00 C ATOM 2072 CD ARG A 128 -17.576 7.283 -0.226 1.00 0.00 C ATOM 2073 NE ARG A 128 -17.068 7.523 1.126 1.00 0.00 N ATOM 2074 CZ ARG A 128 -16.971 6.588 2.073 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -17.356 5.340 1.834 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -16.485 6.901 3.262 1.00 0.00 N ATOM 0 H ARG A 128 -15.410 8.285 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.264 6.165 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -17.727 9.131 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -18.923 7.993 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.383 8.837 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -18.017 9.330 -0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.628 7.001 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.042 6.443 -0.670 1.00 0.00 H new ATOM 0 HE ARG A 128 -16.768 8.469 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -17.730 5.088 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -17.277 4.633 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.185 7.857 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.410 6.187 3.987 1.00 0.00 H new ATOM 2090 N GLU A 129 -17.067 7.630 -5.585 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.451 7.493 -6.990 1.00 0.00 C ATOM 2092 C GLU A 129 -16.993 6.139 -7.536 1.00 0.00 C ATOM 2093 O GLU A 129 -17.633 5.566 -8.418 1.00 0.00 O ATOM 2094 CB GLU A 129 -16.865 8.640 -7.830 1.00 0.00 C ATOM 2095 CG GLU A 129 -17.311 8.619 -9.291 1.00 0.00 C ATOM 2096 CD GLU A 129 -16.746 9.774 -10.106 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -15.619 9.639 -10.634 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -17.429 10.815 -10.233 1.00 0.00 O ATOM 0 H GLU A 129 -16.383 8.365 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.538 7.545 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.156 9.591 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -15.777 8.589 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -17.003 7.677 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.400 8.652 -9.333 1.00 0.00 H new ATOM 2105 N CYS A 130 -15.882 5.631 -6.999 1.00 0.00 N ATOM 2106 CA CYS A 130 -15.382 4.309 -7.374 1.00 0.00 C ATOM 2107 C CYS A 130 -16.315 3.221 -6.844 1.00 0.00 C ATOM 2108 O CYS A 130 -16.454 2.157 -7.450 1.00 0.00 O ATOM 2109 CB CYS A 130 -13.959 4.101 -6.841 1.00 0.00 C ATOM 2110 SG CYS A 130 -12.752 5.282 -7.486 1.00 0.00 S ATOM 0 H CYS A 130 -15.313 6.115 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 130 -15.354 4.244 -8.462 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -13.976 4.172 -5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -13.633 3.091 -7.090 1.00 0.00 H new ATOM 0 HG CYS A 130 -13.121 6.490 -7.180 1.00 0.00 H new