USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 150:sc= 0.36 USER MOD Set 1.2: A 60 CYS SG : rot -129:sc= -0.611 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -2.95 K(o=-7,f=-7.6) USER MOD Set 1.4: A 74 THR OG1 : rot 74:sc= 0.97 USER MOD Set 1.5: A 78 HIS : no HE2:sc= -4.8! C(o=-7!,f=-7.7!) USER MOD Set 2.1: A 52 GLN : amide:sc= -0.193 K(o=-4.4,f=-5.9) USER MOD Set 2.2: A 63 GLN : amide:sc= -4.2 K(o=-4.4,f=-9.2!) USER MOD Set 3.1: A 27 CYS SG : rot 132:sc= 0.466 USER MOD Set 3.2: A 30 CYS SG : rot -89:sc= -0.431 USER MOD Set 3.3: A 44 HIS :FLIP no HD1:sc= -1.62 F(o=-2.5,f=-1.3) USER MOD Set 3.4: A 48 CYS SG : rot 171:sc= 0.263 USER MOD Single : A 14 GLN : amide:sc= -0.063 K(o=-0.063,f=-1.6!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.682 X(o=-0.68,f=-1) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.78 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 87:sc= -0.617 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0313) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -149:sc= -3.54 (180deg=-6.06!) USER MOD Single : A 49 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.45) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -112:sc= 0.191 (180deg=-0.227) USER MOD Single : A 58 GLN : amide:sc= -0.0941 X(o=-0.094,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -168:sc= 0 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -4.324 15.947 -6.863 1.00 0.00 N ATOM 95 CA PRO A 11 -4.547 15.424 -8.213 1.00 0.00 C ATOM 96 C PRO A 11 -3.269 15.398 -9.044 1.00 0.00 C ATOM 97 O PRO A 11 -2.956 14.396 -9.687 1.00 0.00 O ATOM 98 CB PRO A 11 -5.555 16.407 -8.813 1.00 0.00 C ATOM 99 CG PRO A 11 -5.340 17.675 -8.062 1.00 0.00 C ATOM 100 CD PRO A 11 -4.943 17.269 -6.669 1.00 0.00 C ATOM 0 HA PRO A 11 -4.896 14.391 -8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.385 16.546 -9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.577 16.046 -8.697 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.562 18.278 -8.529 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.247 18.279 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.244 17.979 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.806 17.215 -6.005 1.00 0.00 H new ATOM 108 N GLU A 12 -2.534 16.505 -9.025 1.00 0.00 N ATOM 109 CA GLU A 12 -1.289 16.608 -9.777 1.00 0.00 C ATOM 110 C GLU A 12 -0.180 17.207 -8.916 1.00 0.00 C ATOM 111 O GLU A 12 0.201 18.363 -9.094 1.00 0.00 O ATOM 112 CB GLU A 12 -1.494 17.462 -11.031 1.00 0.00 C ATOM 113 CG GLU A 12 -2.360 16.795 -12.086 1.00 0.00 C ATOM 114 CD GLU A 12 -1.555 15.938 -13.045 1.00 0.00 C ATOM 115 OE1 GLU A 12 -0.319 16.110 -13.098 1.00 0.00 O ATOM 116 OE2 GLU A 12 -2.161 15.097 -13.741 1.00 0.00 O ATOM 0 H GLU A 12 -2.779 17.343 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.991 15.603 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.950 18.410 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.522 17.695 -11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.112 16.177 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.894 17.560 -12.649 1.00 0.00 H new ATOM 123 N GLU A 13 0.332 16.411 -7.983 1.00 0.00 N ATOM 124 CA GLU A 13 1.395 16.863 -7.094 1.00 0.00 C ATOM 125 C GLU A 13 2.766 16.499 -7.656 1.00 0.00 C ATOM 126 O GLU A 13 3.546 17.374 -8.031 1.00 0.00 O ATOM 127 CB GLU A 13 1.223 16.248 -5.703 1.00 0.00 C ATOM 128 CG GLU A 13 0.306 17.048 -4.793 1.00 0.00 C ATOM 129 CD GLU A 13 0.952 18.325 -4.291 1.00 0.00 C ATOM 130 OE1 GLU A 13 1.584 19.031 -5.104 1.00 0.00 O ATOM 131 OE2 GLU A 13 0.825 18.618 -3.084 1.00 0.00 O ATOM 0 H GLU A 13 0.028 15.451 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 13 1.330 17.948 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.826 15.238 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.201 16.158 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.609 17.295 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.018 16.432 -3.941 1.00 0.00 H new ATOM 138 N GLN A 14 3.052 15.202 -7.711 1.00 0.00 N ATOM 139 CA GLN A 14 4.329 14.723 -8.226 1.00 0.00 C ATOM 140 C GLN A 14 4.443 14.981 -9.725 1.00 0.00 C ATOM 141 O GLN A 14 5.503 15.364 -10.220 1.00 0.00 O ATOM 142 CB GLN A 14 4.490 13.229 -7.940 1.00 0.00 C ATOM 143 CG GLN A 14 4.412 12.881 -6.463 1.00 0.00 C ATOM 144 CD GLN A 14 4.936 11.490 -6.163 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.554 10.850 -7.014 1.00 0.00 O ATOM 146 NE2 GLN A 14 4.692 11.015 -4.947 1.00 0.00 N ATOM 0 H GLN A 14 2.417 14.465 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 14 5.124 15.270 -7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.716 12.679 -8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.449 12.893 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.984 13.612 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.377 12.955 -6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.176 11.580 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.021 10.085 -4.687 1.00 0.00 H new ATOM 155 N TRP A 15 3.345 14.768 -10.442 1.00 0.00 N ATOM 156 CA TRP A 15 3.322 14.978 -11.885 1.00 0.00 C ATOM 157 C TRP A 15 3.603 16.436 -12.228 1.00 0.00 C ATOM 158 O TRP A 15 4.382 16.731 -13.134 1.00 0.00 O ATOM 159 CB TRP A 15 1.969 14.557 -12.460 1.00 0.00 C ATOM 160 CG TRP A 15 1.743 13.075 -12.426 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.689 12.099 -12.564 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.493 12.403 -12.244 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.101 10.860 -12.479 1.00 0.00 N ATOM 164 CE2 TRP A 15 0.755 11.019 -12.282 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.822 12.834 -12.052 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.251 10.067 -12.135 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.819 11.889 -11.906 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.529 10.518 -11.948 1.00 0.00 C ATOM 0 H TRP A 15 2.460 14.450 -10.048 1.00 0.00 H new ATOM 0 HA TRP A 15 4.105 14.363 -12.329 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.175 15.051 -11.900 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.896 14.905 -13.491 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.743 12.275 -12.717 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.588 9.967 -12.551 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.055 13.888 -12.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.030 9.010 -12.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.839 12.212 -11.757 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.330 9.804 -11.830 1.00 0.00 H new ATOM 179 N GLN A 16 2.964 17.345 -11.498 1.00 0.00 N ATOM 180 CA GLN A 16 3.145 18.774 -11.727 1.00 0.00 C ATOM 181 C GLN A 16 4.497 19.242 -11.198 1.00 0.00 C ATOM 182 O GLN A 16 5.079 20.197 -11.713 1.00 0.00 O ATOM 183 CB GLN A 16 2.021 19.566 -11.059 1.00 0.00 C ATOM 184 CG GLN A 16 2.138 21.069 -11.252 1.00 0.00 C ATOM 185 CD GLN A 16 1.146 21.845 -10.408 1.00 0.00 C ATOM 186 OE1 GLN A 16 1.348 22.035 -9.208 1.00 0.00 O ATOM 187 NE2 GLN A 16 0.065 22.299 -11.032 1.00 0.00 N ATOM 0 H GLN A 16 2.317 17.117 -10.743 1.00 0.00 H new ATOM 0 HA GLN A 16 3.114 18.951 -12.802 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.064 19.230 -11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.016 19.344 -9.992 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.150 21.386 -11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.981 21.310 -12.303 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.063 22.119 -12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.638 22.828 -10.515 1.00 0.00 H new ATOM 196 N ARG A 17 4.991 18.563 -10.168 1.00 0.00 N ATOM 197 CA ARG A 17 6.274 18.911 -9.568 1.00 0.00 C ATOM 198 C ARG A 17 7.416 18.675 -10.552 1.00 0.00 C ATOM 199 O ARG A 17 8.329 19.492 -10.666 1.00 0.00 O ATOM 200 CB ARG A 17 6.505 18.093 -8.296 1.00 0.00 C ATOM 201 CG ARG A 17 6.016 18.782 -7.032 1.00 0.00 C ATOM 202 CD ARG A 17 6.590 18.129 -5.785 1.00 0.00 C ATOM 203 NE ARG A 17 8.026 18.364 -5.655 1.00 0.00 N ATOM 204 CZ ARG A 17 8.546 19.496 -5.193 1.00 0.00 C ATOM 205 NH1 ARG A 17 7.752 20.490 -4.818 1.00 0.00 N ATOM 206 NH2 ARG A 17 9.862 19.635 -5.105 1.00 0.00 N ATOM 0 H ARG A 17 4.523 17.769 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 17 6.251 19.970 -9.311 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.999 17.132 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.570 17.884 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.300 19.834 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.927 18.746 -6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.078 18.517 -4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.400 17.056 -5.817 1.00 0.00 H new ATOM 0 HE ARG A 17 8.664 17.619 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.739 20.386 -4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.154 21.358 -4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.476 18.873 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.260 20.504 -4.750 1.00 0.00 H new ATOM 220 N ALA A 18 7.357 17.552 -11.260 1.00 0.00 N ATOM 221 CA ALA A 18 8.385 17.209 -12.235 1.00 0.00 C ATOM 222 C ALA A 18 8.253 18.059 -13.494 1.00 0.00 C ATOM 223 O ALA A 18 9.220 18.241 -14.235 1.00 0.00 O ATOM 224 CB ALA A 18 8.308 15.730 -12.585 1.00 0.00 C ATOM 0 H ALA A 18 6.608 16.864 -11.177 1.00 0.00 H new ATOM 0 HA ALA A 18 9.358 17.416 -11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.081 15.488 -13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.459 15.135 -11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.328 15.507 -13.008 1.00 0.00 H new ATOM 230 N ILE A 19 7.053 18.577 -13.729 1.00 0.00 N ATOM 231 CA ILE A 19 6.796 19.409 -14.899 1.00 0.00 C ATOM 232 C ILE A 19 7.602 20.702 -14.841 1.00 0.00 C ATOM 233 O ILE A 19 8.219 21.106 -15.828 1.00 0.00 O ATOM 234 CB ILE A 19 5.301 19.755 -15.026 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.535 18.584 -15.647 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.118 21.015 -15.859 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.037 18.788 -15.672 1.00 0.00 C ATOM 0 H ILE A 19 6.243 18.436 -13.125 1.00 0.00 H new ATOM 0 HA ILE A 19 7.102 18.831 -15.771 1.00 0.00 H new ATOM 0 HB ILE A 19 4.900 19.940 -14.029 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.889 18.428 -16.666 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.761 17.676 -15.088 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.056 21.247 -15.940 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.635 21.846 -15.380 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.531 20.856 -16.855 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.559 17.920 -16.125 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.670 18.914 -14.653 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.801 19.678 -16.255 1.00 0.00 H new ATOM 249 N HIS A 20 7.595 21.346 -13.679 1.00 0.00 N ATOM 250 CA HIS A 20 8.328 22.593 -13.491 1.00 0.00 C ATOM 251 C HIS A 20 9.781 22.318 -13.118 1.00 0.00 C ATOM 252 O HIS A 20 10.685 23.046 -13.527 1.00 0.00 O ATOM 253 CB HIS A 20 7.662 23.443 -12.408 1.00 0.00 C ATOM 254 CG HIS A 20 8.201 23.190 -11.034 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.126 24.012 -10.425 1.00 0.00 N ATOM 256 CD2 HIS A 20 7.939 22.200 -10.148 1.00 0.00 C ATOM 257 CE1 HIS A 20 9.411 23.538 -9.225 1.00 0.00 C ATOM 258 NE2 HIS A 20 8.704 22.440 -9.032 1.00 0.00 N ATOM 0 H HIS A 20 7.090 21.025 -12.853 1.00 0.00 H new ATOM 0 HA HIS A 20 8.311 23.141 -14.433 1.00 0.00 H new ATOM 0 HB2 HIS A 20 7.793 24.497 -12.653 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.590 23.246 -12.411 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.256 21.376 -10.292 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.105 23.975 -8.522 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.723 21.863 -8.191 1.00 0.00 H new ATOM 266 N GLU A 21 9.997 21.264 -12.338 1.00 0.00 N ATOM 267 CA GLU A 21 11.341 20.895 -11.909 1.00 0.00 C ATOM 268 C GLU A 21 12.191 20.455 -13.098 1.00 0.00 C ATOM 269 O GLU A 21 13.273 20.993 -13.333 1.00 0.00 O ATOM 270 CB GLU A 21 11.279 19.773 -10.870 1.00 0.00 C ATOM 271 CG GLU A 21 11.011 20.265 -9.458 1.00 0.00 C ATOM 272 CD GLU A 21 11.351 19.229 -8.404 1.00 0.00 C ATOM 273 OE1 GLU A 21 10.548 18.291 -8.215 1.00 0.00 O ATOM 274 OE2 GLU A 21 12.419 19.355 -7.770 1.00 0.00 O ATOM 0 H GLU A 21 9.260 20.651 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 21 11.804 21.773 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.497 19.069 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.221 19.226 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.593 21.168 -9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.960 20.540 -9.366 1.00 0.00 H new ATOM 281 N ARG A 22 11.692 19.474 -13.843 1.00 0.00 N ATOM 282 CA ARG A 22 12.406 18.960 -15.006 1.00 0.00 C ATOM 283 C ARG A 22 11.920 19.637 -16.284 1.00 0.00 C ATOM 284 O ARG A 22 12.631 20.445 -16.880 1.00 0.00 O ATOM 285 CB ARG A 22 12.221 17.445 -15.116 1.00 0.00 C ATOM 286 CG ARG A 22 13.126 16.652 -14.188 1.00 0.00 C ATOM 287 CD ARG A 22 13.194 15.188 -14.594 1.00 0.00 C ATOM 288 NE ARG A 22 14.090 14.975 -15.727 1.00 0.00 N ATOM 289 CZ ARG A 22 14.680 13.814 -15.989 1.00 0.00 C ATOM 290 NH1 ARG A 22 14.470 12.767 -15.204 1.00 0.00 N ATOM 291 NH2 ARG A 22 15.483 13.699 -17.040 1.00 0.00 N ATOM 0 H ARG A 22 10.797 19.019 -13.662 1.00 0.00 H new ATOM 0 HA ARG A 22 13.466 19.181 -14.878 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.183 17.197 -14.896 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.411 17.138 -16.145 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.128 17.081 -14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.758 16.730 -13.165 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.533 14.592 -13.747 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.195 14.836 -14.851 1.00 0.00 H new ATOM 0 HE ARG A 22 14.273 15.761 -16.351 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.854 12.851 -14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.925 11.877 -15.408 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.647 14.502 -17.647 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.936 12.807 -17.241 1.00 0.00 H new ATOM 305 N GLY A 23 10.703 19.301 -16.700 1.00 0.00 N ATOM 306 CA GLY A 23 10.143 19.884 -17.905 1.00 0.00 C ATOM 307 C GLY A 23 8.706 19.464 -18.140 1.00 0.00 C ATOM 308 O GLY A 23 7.819 20.308 -18.264 1.00 0.00 O ATOM 0 H GLY A 23 10.095 18.635 -16.224 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.194 20.971 -17.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.749 19.590 -18.762 1.00 0.00 H new ATOM 312 N GLU A 24 8.475 18.156 -18.202 1.00 0.00 N ATOM 313 CA GLU A 24 7.135 17.627 -18.425 1.00 0.00 C ATOM 314 C GLU A 24 6.975 16.258 -17.771 1.00 0.00 C ATOM 315 O GLU A 24 7.959 15.593 -17.449 1.00 0.00 O ATOM 316 CB GLU A 24 6.847 17.525 -19.925 1.00 0.00 C ATOM 317 CG GLU A 24 7.736 16.529 -20.649 1.00 0.00 C ATOM 318 CD GLU A 24 7.558 16.575 -22.154 1.00 0.00 C ATOM 319 OE1 GLU A 24 6.686 15.845 -22.672 1.00 0.00 O ATOM 320 OE2 GLU A 24 8.290 17.342 -22.815 1.00 0.00 O ATOM 0 H GLU A 24 9.198 17.444 -18.101 1.00 0.00 H new ATOM 0 HA GLU A 24 6.420 18.313 -17.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.805 17.240 -20.068 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.973 18.508 -20.378 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.778 16.733 -20.404 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.515 15.523 -20.291 1.00 0.00 H new ATOM 327 N ALA A 25 5.727 15.844 -17.578 1.00 0.00 N ATOM 328 CA ALA A 25 5.437 14.554 -16.964 1.00 0.00 C ATOM 329 C ALA A 25 4.699 13.638 -17.934 1.00 0.00 C ATOM 330 O ALA A 25 3.471 13.548 -17.907 1.00 0.00 O ATOM 331 CB ALA A 25 4.623 14.746 -15.693 1.00 0.00 C ATOM 0 H ALA A 25 4.901 16.383 -17.838 1.00 0.00 H new ATOM 0 HA ALA A 25 6.384 14.080 -16.708 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.414 13.775 -15.245 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.187 15.357 -14.988 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.684 15.244 -15.934 1.00 0.00 H new ATOM 337 N VAL A 26 5.455 12.959 -18.791 1.00 0.00 N ATOM 338 CA VAL A 26 4.872 12.049 -19.770 1.00 0.00 C ATOM 339 C VAL A 26 4.500 10.717 -19.128 1.00 0.00 C ATOM 340 O VAL A 26 5.102 10.302 -18.138 1.00 0.00 O ATOM 341 CB VAL A 26 5.839 11.790 -20.940 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.195 13.094 -21.637 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.091 11.078 -20.450 1.00 0.00 C ATOM 0 H VAL A 26 6.472 13.022 -18.827 1.00 0.00 H new ATOM 0 HA VAL A 26 3.971 12.529 -20.152 1.00 0.00 H new ATOM 0 HB VAL A 26 5.342 11.144 -21.663 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.879 12.891 -22.461 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.288 13.559 -22.024 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.673 13.768 -20.926 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.763 10.903 -21.290 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.594 11.696 -19.706 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.815 10.124 -20.002 1.00 0.00 H new ATOM 353 N CYS A 27 3.503 10.049 -19.700 1.00 0.00 N ATOM 354 CA CYS A 27 3.049 8.763 -19.185 1.00 0.00 C ATOM 355 C CYS A 27 4.234 7.879 -18.808 1.00 0.00 C ATOM 356 O CYS A 27 5.066 7.524 -19.644 1.00 0.00 O ATOM 357 CB CYS A 27 2.179 8.053 -20.224 1.00 0.00 C ATOM 358 SG CYS A 27 0.970 6.891 -19.512 1.00 0.00 S ATOM 0 H CYS A 27 2.994 10.378 -20.521 1.00 0.00 H new ATOM 0 HA CYS A 27 2.456 8.947 -18.289 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.646 8.802 -20.809 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.825 7.511 -20.914 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.198 7.102 -20.041 1.00 0.00 H new ATOM 363 N PRO A 28 4.314 7.514 -17.520 1.00 0.00 N ATOM 364 CA PRO A 28 5.392 6.666 -17.003 1.00 0.00 C ATOM 365 C PRO A 28 5.292 5.230 -17.506 1.00 0.00 C ATOM 366 O PRO A 28 6.049 4.357 -17.079 1.00 0.00 O ATOM 367 CB PRO A 28 5.188 6.717 -15.487 1.00 0.00 C ATOM 368 CG PRO A 28 3.740 7.022 -15.310 1.00 0.00 C ATOM 369 CD PRO A 28 3.357 7.900 -16.469 1.00 0.00 C ATOM 0 HA PRO A 28 6.374 7.013 -17.326 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.453 5.769 -15.020 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.813 7.484 -15.029 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.147 6.108 -15.301 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.561 7.528 -14.361 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.327 7.728 -16.781 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.441 8.957 -16.217 1.00 0.00 H new ATOM 377 N THR A 29 4.353 4.990 -18.416 1.00 0.00 N ATOM 378 CA THR A 29 4.154 3.659 -18.976 1.00 0.00 C ATOM 379 C THR A 29 4.660 3.586 -20.412 1.00 0.00 C ATOM 380 O THR A 29 5.399 2.670 -20.774 1.00 0.00 O ATOM 381 CB THR A 29 2.668 3.254 -18.946 1.00 0.00 C ATOM 382 OG1 THR A 29 2.195 3.225 -17.595 1.00 0.00 O ATOM 383 CG2 THR A 29 2.466 1.890 -19.588 1.00 0.00 C ATOM 0 H THR A 29 3.718 5.700 -18.781 1.00 0.00 H new ATOM 0 HA THR A 29 4.724 2.967 -18.357 1.00 0.00 H new ATOM 0 HB THR A 29 2.102 3.993 -19.513 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.249 2.968 -17.585 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.409 1.625 -19.555 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.800 1.923 -20.625 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.044 1.143 -19.044 1.00 0.00 H new ATOM 391 N CYS A 30 4.258 4.556 -21.226 1.00 0.00 N ATOM 392 CA CYS A 30 4.671 4.602 -22.624 1.00 0.00 C ATOM 393 C CYS A 30 5.459 5.875 -22.916 1.00 0.00 C ATOM 394 O CYS A 30 6.300 5.905 -23.814 1.00 0.00 O ATOM 395 CB CYS A 30 3.449 4.523 -23.541 1.00 0.00 C ATOM 396 SG CYS A 30 1.987 5.405 -22.909 1.00 0.00 S ATOM 0 H CYS A 30 3.646 5.321 -20.942 1.00 0.00 H new ATOM 0 HA CYS A 30 5.316 3.745 -22.815 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.713 4.932 -24.516 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.190 3.475 -23.694 1.00 0.00 H new ATOM 0 HG CYS A 30 1.285 4.603 -22.164 1.00 0.00 H new ATOM 401 N ASN A 31 5.181 6.926 -22.151 1.00 0.00 N ATOM 402 CA ASN A 31 5.863 8.202 -22.328 1.00 0.00 C ATOM 403 C ASN A 31 5.371 8.913 -23.585 1.00 0.00 C ATOM 404 O ASN A 31 6.130 9.615 -24.253 1.00 0.00 O ATOM 405 CB ASN A 31 7.376 7.989 -22.410 1.00 0.00 C ATOM 406 CG ASN A 31 7.877 6.998 -21.376 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.678 7.184 -20.175 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.531 5.940 -21.839 1.00 0.00 N ATOM 0 H ASN A 31 4.488 6.919 -21.403 1.00 0.00 H new ATOM 0 HA ASN A 31 5.636 8.828 -21.465 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.637 7.633 -23.407 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.883 8.944 -22.270 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.892 5.240 -21.191 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.672 5.827 -22.843 1.00 0.00 H new ATOM 415 N VAL A 32 4.093 8.726 -23.901 1.00 0.00 N ATOM 416 CA VAL A 32 3.497 9.350 -25.077 1.00 0.00 C ATOM 417 C VAL A 32 2.098 9.872 -24.772 1.00 0.00 C ATOM 418 O VAL A 32 1.146 9.100 -24.662 1.00 0.00 O ATOM 419 CB VAL A 32 3.420 8.364 -26.257 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.813 8.039 -26.774 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.686 7.097 -25.845 1.00 0.00 C ATOM 0 H VAL A 32 3.451 8.148 -23.359 1.00 0.00 H new ATOM 0 HA VAL A 32 4.141 10.185 -25.353 1.00 0.00 H new ATOM 0 HB VAL A 32 2.860 8.835 -27.065 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.738 7.341 -27.608 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.299 8.955 -27.110 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.402 7.588 -25.975 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.641 6.411 -26.691 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.216 6.621 -25.020 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.674 7.349 -25.528 1.00 0.00 H new ATOM 431 N VAL A 33 1.979 11.189 -24.637 1.00 0.00 N ATOM 432 CA VAL A 33 0.695 11.816 -24.346 1.00 0.00 C ATOM 433 C VAL A 33 0.725 13.305 -24.670 1.00 0.00 C ATOM 434 O VAL A 33 1.718 13.821 -25.185 1.00 0.00 O ATOM 435 CB VAL A 33 0.302 11.631 -22.869 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.584 10.406 -22.701 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.544 11.524 -21.997 1.00 0.00 C ATOM 0 H VAL A 33 2.757 11.843 -24.725 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.047 11.325 -24.976 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.264 12.506 -22.550 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.851 10.292 -21.651 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.490 10.528 -23.295 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.046 9.519 -23.037 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.248 11.394 -20.956 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.139 10.668 -22.315 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.136 12.434 -22.094 1.00 0.00 H new ATOM 447 N THR A 34 -0.371 13.994 -24.366 1.00 0.00 N ATOM 448 CA THR A 34 -0.472 15.424 -24.625 1.00 0.00 C ATOM 449 C THR A 34 0.861 16.122 -24.380 1.00 0.00 C ATOM 450 O THR A 34 1.593 15.776 -23.452 1.00 0.00 O ATOM 451 CB THR A 34 -1.552 16.080 -23.743 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.796 15.388 -23.897 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.732 17.546 -24.109 1.00 0.00 C ATOM 0 H THR A 34 -1.202 13.583 -23.940 1.00 0.00 H new ATOM 0 HA THR A 34 -0.751 15.537 -25.673 1.00 0.00 H new ATOM 0 HB THR A 34 -1.229 16.019 -22.704 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.531 15.967 -23.606 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.499 17.988 -23.473 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.791 18.076 -23.963 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.035 17.626 -25.153 1.00 0.00 H new ATOM 461 N ARG A 35 1.170 17.107 -25.217 1.00 0.00 N ATOM 462 CA ARG A 35 2.416 17.854 -25.091 1.00 0.00 C ATOM 463 C ARG A 35 2.655 18.274 -23.643 1.00 0.00 C ATOM 464 O ARG A 35 3.784 18.242 -23.154 1.00 0.00 O ATOM 465 CB ARG A 35 2.388 19.089 -25.993 1.00 0.00 C ATOM 466 CG ARG A 35 2.828 18.810 -27.421 1.00 0.00 C ATOM 467 CD ARG A 35 1.737 18.104 -28.211 1.00 0.00 C ATOM 468 NE ARG A 35 0.603 18.983 -28.485 1.00 0.00 N ATOM 469 CZ ARG A 35 0.541 19.797 -29.533 1.00 0.00 C ATOM 470 NH1 ARG A 35 1.542 19.844 -30.401 1.00 0.00 N ATOM 471 NH2 ARG A 35 -0.525 20.567 -29.714 1.00 0.00 N ATOM 0 H ARG A 35 0.575 17.406 -25.989 1.00 0.00 H new ATOM 0 HA ARG A 35 3.233 17.203 -25.402 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.377 19.496 -26.006 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.035 19.855 -25.566 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.087 19.748 -27.913 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.728 18.196 -27.412 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.149 17.740 -29.152 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.393 17.232 -27.655 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.184 18.971 -27.836 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.363 19.254 -30.265 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.491 20.470 -31.205 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.297 20.534 -29.048 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.572 21.192 -30.519 1.00 0.00 H new ATOM 485 N LYS A 36 1.583 18.668 -22.963 1.00 0.00 N ATOM 486 CA LYS A 36 1.674 19.093 -21.571 1.00 0.00 C ATOM 487 C LYS A 36 1.654 17.891 -20.632 1.00 0.00 C ATOM 488 O LYS A 36 2.109 17.974 -19.491 1.00 0.00 O ATOM 489 CB LYS A 36 0.521 20.040 -21.229 1.00 0.00 C ATOM 490 CG LYS A 36 0.784 21.484 -21.619 1.00 0.00 C ATOM 491 CD LYS A 36 0.764 21.667 -23.127 1.00 0.00 C ATOM 492 CE LYS A 36 1.253 23.051 -23.527 1.00 0.00 C ATOM 493 NZ LYS A 36 0.899 23.378 -24.936 1.00 0.00 N ATOM 0 H LYS A 36 0.641 18.702 -23.353 1.00 0.00 H new ATOM 0 HA LYS A 36 2.620 19.619 -21.439 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.383 19.695 -21.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.328 19.991 -20.157 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.031 22.128 -21.164 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.751 21.797 -21.226 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.392 20.909 -23.595 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.249 21.516 -23.500 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.818 23.796 -22.861 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.335 23.104 -23.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.249 24.329 -25.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.334 22.682 -25.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.135 23.352 -25.049 1.00 0.00 H new ATOM 507 N THR A 37 1.126 16.773 -21.121 1.00 0.00 N ATOM 508 CA THR A 37 1.048 15.554 -20.326 1.00 0.00 C ATOM 509 C THR A 37 0.386 15.818 -18.978 1.00 0.00 C ATOM 510 O THR A 37 0.851 15.340 -17.942 1.00 0.00 O ATOM 511 CB THR A 37 2.443 14.947 -20.089 1.00 0.00 C ATOM 512 OG1 THR A 37 3.134 15.686 -19.076 1.00 0.00 O ATOM 513 CG2 THR A 37 3.260 14.951 -21.373 1.00 0.00 C ATOM 0 H THR A 37 0.746 16.687 -22.064 1.00 0.00 H new ATOM 0 HA THR A 37 0.443 14.846 -20.893 1.00 0.00 H new ATOM 0 HB THR A 37 2.315 13.915 -19.761 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.905 15.325 -18.194 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.242 14.518 -21.181 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.746 14.363 -22.133 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.378 15.976 -21.726 1.00 0.00 H new ATOM 521 N LEU A 38 -0.701 16.582 -18.997 1.00 0.00 N ATOM 522 CA LEU A 38 -1.428 16.909 -17.776 1.00 0.00 C ATOM 523 C LEU A 38 -2.881 16.456 -17.869 1.00 0.00 C ATOM 524 O LEU A 38 -3.297 15.522 -17.183 1.00 0.00 O ATOM 525 CB LEU A 38 -1.367 18.414 -17.510 1.00 0.00 C ATOM 526 CG LEU A 38 -1.387 18.838 -16.041 1.00 0.00 C ATOM 527 CD1 LEU A 38 -2.568 18.207 -15.320 1.00 0.00 C ATOM 528 CD2 LEU A 38 -0.080 18.462 -15.360 1.00 0.00 C ATOM 0 H LEU A 38 -1.098 16.986 -19.845 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.955 16.381 -16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.460 18.807 -17.968 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.210 18.886 -18.015 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.498 19.921 -15.996 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.566 18.520 -14.276 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.496 18.527 -15.793 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.489 17.121 -15.374 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.112 18.771 -14.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.061 17.383 -15.415 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.749 18.962 -15.861 1.00 0.00 H new ATOM 540 N VAL A 39 -3.650 17.123 -18.724 1.00 0.00 N ATOM 541 CA VAL A 39 -5.057 16.787 -18.910 1.00 0.00 C ATOM 542 C VAL A 39 -5.212 15.451 -19.627 1.00 0.00 C ATOM 543 O VAL A 39 -5.995 14.599 -19.210 1.00 0.00 O ATOM 544 CB VAL A 39 -5.793 17.877 -19.712 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.816 19.186 -18.938 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.143 18.065 -21.074 1.00 0.00 C ATOM 0 H VAL A 39 -3.322 17.899 -19.299 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.500 16.716 -17.917 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.823 17.557 -19.867 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.340 19.944 -19.520 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.330 19.038 -17.988 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.794 19.515 -18.750 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.675 18.839 -21.628 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.103 18.363 -20.943 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.184 17.128 -21.629 1.00 0.00 H new ATOM 556 N GLY A 40 -4.460 15.275 -20.709 1.00 0.00 N ATOM 557 CA GLY A 40 -4.529 14.040 -21.468 1.00 0.00 C ATOM 558 C GLY A 40 -3.848 12.886 -20.759 1.00 0.00 C ATOM 559 O GLY A 40 -4.256 11.732 -20.901 1.00 0.00 O ATOM 0 H GLY A 40 -3.804 15.966 -21.074 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.573 13.786 -21.649 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.064 14.189 -22.442 1.00 0.00 H new ATOM 563 N LEU A 41 -2.807 13.195 -19.995 1.00 0.00 N ATOM 564 CA LEU A 41 -2.066 12.174 -19.262 1.00 0.00 C ATOM 565 C LEU A 41 -2.989 11.393 -18.332 1.00 0.00 C ATOM 566 O LEU A 41 -2.840 10.182 -18.164 1.00 0.00 O ATOM 567 CB LEU A 41 -0.936 12.816 -18.455 1.00 0.00 C ATOM 568 CG LEU A 41 -0.329 11.955 -17.347 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.567 10.877 -17.938 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.451 12.819 -16.366 1.00 0.00 C ATOM 0 H LEU A 41 -2.456 14.144 -19.867 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.639 11.481 -19.987 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.140 13.100 -19.144 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.313 13.736 -18.008 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.141 11.468 -16.807 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.990 10.274 -17.134 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.019 10.239 -18.600 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.373 11.344 -18.504 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.876 12.189 -15.584 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.254 13.334 -16.893 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.217 13.553 -15.917 1.00 0.00 H new ATOM 582 N LYS A 42 -3.945 12.093 -17.731 1.00 0.00 N ATOM 583 CA LYS A 42 -4.896 11.467 -16.821 1.00 0.00 C ATOM 584 C LYS A 42 -5.910 10.624 -17.588 1.00 0.00 C ATOM 585 O LYS A 42 -5.995 9.411 -17.398 1.00 0.00 O ATOM 586 CB LYS A 42 -5.622 12.532 -15.996 1.00 0.00 C ATOM 587 CG LYS A 42 -4.785 13.098 -14.862 1.00 0.00 C ATOM 588 CD LYS A 42 -5.482 14.267 -14.186 1.00 0.00 C ATOM 589 CE LYS A 42 -5.026 14.429 -12.744 1.00 0.00 C ATOM 590 NZ LYS A 42 -5.639 13.407 -11.850 1.00 0.00 N ATOM 0 H LYS A 42 -4.082 13.096 -17.858 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.340 10.813 -16.149 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.924 13.346 -16.655 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.534 12.101 -15.583 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.588 12.316 -14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.819 13.423 -15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.277 15.184 -14.739 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.561 14.114 -14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.940 14.349 -12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.289 15.426 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.427 13.641 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.669 13.396 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.249 12.470 -12.075 1.00 0.00 H new ATOM 604 N LYS A 43 -6.676 11.275 -18.457 1.00 0.00 N ATOM 605 CA LYS A 43 -7.682 10.586 -19.256 1.00 0.00 C ATOM 606 C LYS A 43 -7.051 9.468 -20.081 1.00 0.00 C ATOM 607 O LYS A 43 -7.720 8.505 -20.454 1.00 0.00 O ATOM 608 CB LYS A 43 -8.394 11.576 -20.181 1.00 0.00 C ATOM 609 CG LYS A 43 -9.612 12.229 -19.550 1.00 0.00 C ATOM 610 CD LYS A 43 -9.224 13.426 -18.698 1.00 0.00 C ATOM 611 CE LYS A 43 -9.054 14.680 -19.543 1.00 0.00 C ATOM 612 NZ LYS A 43 -8.929 15.902 -18.702 1.00 0.00 N ATOM 0 H LYS A 43 -6.619 12.279 -18.626 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.410 10.145 -18.575 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.690 12.352 -20.480 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.700 11.057 -21.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.302 12.546 -20.332 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.140 11.500 -18.936 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.988 13.598 -17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.294 13.213 -18.171 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.168 14.578 -20.170 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.908 14.785 -20.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.815 16.735 -19.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.785 16.013 -18.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.100 15.813 -18.081 1.00 0.00 H new ATOM 626 N HIS A 44 -5.758 9.603 -20.360 1.00 0.00 N ATOM 627 CA HIS A 44 -5.036 8.603 -21.139 1.00 0.00 C ATOM 628 C HIS A 44 -4.722 7.376 -20.289 1.00 0.00 C ATOM 629 O HIS A 44 -5.211 6.280 -20.560 1.00 0.00 O ATOM 630 CB HIS A 44 -3.742 9.197 -21.697 1.00 0.00 C ATOM 631 CG HIS A 44 -2.771 8.166 -22.184 1.00 0.00 C ATOM 632 ND1 HIS A 44 -1.963 7.319 -21.504 1.00 0.00 N flip ATOM 633 CD2 HIS A 44 -2.546 7.917 -23.521 1.00 0.00 C flip ATOM 634 CE1 HIS A 44 -1.273 6.581 -22.433 1.00 0.00 C flip ATOM 635 NE2 HIS A 44 -1.643 6.960 -23.643 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.189 10.394 -20.059 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.672 8.295 -21.969 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.986 9.871 -22.518 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.264 9.797 -20.923 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.032 8.425 -24.341 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.545 5.815 -22.211 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.292 6.579 -24.522 1.00 0.00 H new ATOM 643 N MET A 45 -3.902 7.568 -19.261 1.00 0.00 N ATOM 644 CA MET A 45 -3.523 6.477 -18.371 1.00 0.00 C ATOM 645 C MET A 45 -4.726 5.595 -18.049 1.00 0.00 C ATOM 646 O MET A 45 -4.575 4.416 -17.733 1.00 0.00 O ATOM 647 CB MET A 45 -2.920 7.030 -17.079 1.00 0.00 C ATOM 648 CG MET A 45 -3.953 7.604 -16.123 1.00 0.00 C ATOM 649 SD MET A 45 -3.373 7.649 -14.417 1.00 0.00 S ATOM 650 CE MET A 45 -1.952 8.728 -14.571 1.00 0.00 C ATOM 0 H MET A 45 -3.487 8.469 -19.024 1.00 0.00 H new ATOM 0 HA MET A 45 -2.775 5.869 -18.880 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.372 6.235 -16.574 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.197 7.806 -17.328 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.214 8.614 -16.440 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.863 7.007 -16.177 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.201 8.448 -13.833 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.530 8.634 -15.572 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.259 9.760 -14.402 1.00 0.00 H new ATOM 660 N GLU A 46 -5.919 6.176 -18.132 1.00 0.00 N ATOM 661 CA GLU A 46 -7.146 5.443 -17.847 1.00 0.00 C ATOM 662 C GLU A 46 -7.141 4.084 -18.542 1.00 0.00 C ATOM 663 O GLU A 46 -7.282 3.044 -17.898 1.00 0.00 O ATOM 664 CB GLU A 46 -8.365 6.252 -18.294 1.00 0.00 C ATOM 665 CG GLU A 46 -8.485 7.602 -17.607 1.00 0.00 C ATOM 666 CD GLU A 46 -8.241 7.519 -16.113 1.00 0.00 C ATOM 667 OE1 GLU A 46 -7.082 7.276 -15.714 1.00 0.00 O ATOM 668 OE2 GLU A 46 -9.207 7.698 -15.342 1.00 0.00 O ATOM 0 H GLU A 46 -6.061 7.151 -18.394 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.201 5.282 -16.770 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.313 6.406 -19.372 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.267 5.672 -18.098 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.771 8.296 -18.050 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.480 8.010 -17.787 1.00 0.00 H new ATOM 675 N VAL A 47 -6.979 4.101 -19.861 1.00 0.00 N ATOM 676 CA VAL A 47 -6.955 2.872 -20.645 1.00 0.00 C ATOM 677 C VAL A 47 -5.544 2.300 -20.728 1.00 0.00 C ATOM 678 O VAL A 47 -5.352 1.084 -20.699 1.00 0.00 O ATOM 679 CB VAL A 47 -7.487 3.105 -22.071 1.00 0.00 C ATOM 680 CG1 VAL A 47 -8.918 3.619 -22.030 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.586 4.071 -22.824 1.00 0.00 C ATOM 0 H VAL A 47 -6.862 4.953 -20.409 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.603 2.159 -20.135 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.484 2.153 -22.601 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.277 3.778 -23.047 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.553 2.887 -21.531 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.951 4.561 -21.483 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.977 4.224 -23.830 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.555 5.025 -22.298 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.579 3.657 -22.885 1.00 0.00 H new ATOM 691 N CYS A 48 -4.558 3.185 -20.830 1.00 0.00 N ATOM 692 CA CYS A 48 -3.163 2.770 -20.917 1.00 0.00 C ATOM 693 C CYS A 48 -2.931 1.476 -20.143 1.00 0.00 C ATOM 694 O CYS A 48 -2.572 0.451 -20.722 1.00 0.00 O ATOM 695 CB CYS A 48 -2.247 3.871 -20.378 1.00 0.00 C ATOM 696 SG CYS A 48 -0.472 3.557 -20.642 1.00 0.00 S ATOM 0 H CYS A 48 -4.699 4.195 -20.854 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.928 2.592 -21.966 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.513 4.815 -20.854 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.429 3.990 -19.310 1.00 0.00 H new ATOM 0 HG CYS A 48 0.208 4.619 -20.326 1.00 0.00 H new ATOM 701 N GLN A 49 -3.140 1.532 -18.831 1.00 0.00 N ATOM 702 CA GLN A 49 -2.953 0.365 -17.978 1.00 0.00 C ATOM 703 C GLN A 49 -3.822 -0.797 -18.447 1.00 0.00 C ATOM 704 O GLN A 49 -3.378 -1.945 -18.481 1.00 0.00 O ATOM 705 CB GLN A 49 -3.285 0.710 -16.525 1.00 0.00 C ATOM 706 CG GLN A 49 -2.579 -0.177 -15.512 1.00 0.00 C ATOM 707 CD GLN A 49 -1.079 -0.224 -15.723 1.00 0.00 C ATOM 708 OE1 GLN A 49 -0.392 0.791 -15.606 1.00 0.00 O ATOM 709 NE2 GLN A 49 -0.561 -1.406 -16.036 1.00 0.00 N ATOM 0 H GLN A 49 -3.439 2.373 -18.337 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.908 0.063 -18.043 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.015 1.749 -16.336 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.362 0.629 -16.378 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.789 0.188 -14.507 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.983 -1.187 -15.576 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.167 -2.222 -16.123 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.443 -1.498 -16.190 1.00 0.00 H new ATOM 718 N LYS A 50 -5.064 -0.493 -18.809 1.00 0.00 N ATOM 719 CA LYS A 50 -5.997 -1.511 -19.278 1.00 0.00 C ATOM 720 C LYS A 50 -5.451 -2.221 -20.513 1.00 0.00 C ATOM 721 O LYS A 50 -5.624 -3.429 -20.674 1.00 0.00 O ATOM 722 CB LYS A 50 -7.354 -0.880 -19.597 1.00 0.00 C ATOM 723 CG LYS A 50 -8.311 -1.823 -20.306 1.00 0.00 C ATOM 724 CD LYS A 50 -9.270 -1.067 -21.211 1.00 0.00 C ATOM 725 CE LYS A 50 -9.679 -1.904 -22.413 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.031 -1.533 -22.914 1.00 0.00 N ATOM 0 H LYS A 50 -5.448 0.452 -18.786 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.123 -2.247 -18.484 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.814 -0.539 -18.669 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.198 0.002 -20.219 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.744 -2.543 -20.896 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.877 -2.391 -19.568 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.157 -0.782 -20.646 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.800 -0.145 -21.552 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.948 -1.775 -23.211 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.670 -2.959 -22.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.272 -2.126 -23.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.733 -1.681 -22.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.033 -0.533 -23.198 1.00 0.00 H new ATOM 740 N LEU A 51 -4.791 -1.463 -21.382 1.00 0.00 N ATOM 741 CA LEU A 51 -4.219 -2.020 -22.603 1.00 0.00 C ATOM 742 C LEU A 51 -2.993 -2.872 -22.290 1.00 0.00 C ATOM 743 O LEU A 51 -2.989 -4.080 -22.526 1.00 0.00 O ATOM 744 CB LEU A 51 -3.840 -0.898 -23.571 1.00 0.00 C ATOM 745 CG LEU A 51 -4.947 -0.420 -24.511 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.508 0.826 -25.264 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.334 -1.525 -25.484 1.00 0.00 C ATOM 0 H LEU A 51 -4.639 -0.461 -21.264 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.971 -2.655 -23.070 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.492 -0.045 -22.989 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.998 -1.236 -24.176 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.822 -0.167 -23.912 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.309 1.151 -25.928 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.282 1.620 -24.553 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.618 0.601 -25.852 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.123 -1.167 -26.145 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.464 -1.809 -26.077 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.692 -2.391 -24.927 1.00 0.00 H new ATOM 759 N GLN A 52 -1.956 -2.235 -21.756 1.00 0.00 N ATOM 760 CA GLN A 52 -0.726 -2.935 -21.409 1.00 0.00 C ATOM 761 C GLN A 52 -1.022 -4.354 -20.935 1.00 0.00 C ATOM 762 O GLN A 52 -0.380 -5.311 -21.370 1.00 0.00 O ATOM 763 CB GLN A 52 0.033 -2.170 -20.323 1.00 0.00 C ATOM 764 CG GLN A 52 0.670 -0.882 -20.819 1.00 0.00 C ATOM 765 CD GLN A 52 1.879 -1.130 -21.700 1.00 0.00 C ATOM 766 OE1 GLN A 52 1.782 -1.109 -22.927 1.00 0.00 O ATOM 767 NE2 GLN A 52 3.027 -1.367 -21.077 1.00 0.00 N ATOM 0 H GLN A 52 -1.944 -1.235 -21.554 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.106 -2.992 -22.304 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.652 -1.936 -19.508 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.810 -2.815 -19.911 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.069 -0.307 -21.377 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.967 -0.275 -19.964 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.062 -1.375 -20.058 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.874 -1.541 -21.618 1.00 0.00 H new ATOM 776 N ASP A 53 -1.997 -4.483 -20.042 1.00 0.00 N ATOM 777 CA ASP A 53 -2.379 -5.785 -19.509 1.00 0.00 C ATOM 778 C ASP A 53 -2.832 -6.718 -20.627 1.00 0.00 C ATOM 779 O ASP A 53 -2.293 -7.812 -20.794 1.00 0.00 O ATOM 780 CB ASP A 53 -3.494 -5.630 -18.474 1.00 0.00 C ATOM 781 CG ASP A 53 -3.704 -6.888 -17.655 1.00 0.00 C ATOM 782 OD1 ASP A 53 -2.724 -7.375 -17.053 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.848 -7.386 -17.617 1.00 0.00 O ATOM 0 H ASP A 53 -2.537 -3.701 -19.672 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.505 -6.223 -19.026 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.254 -4.802 -17.807 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.423 -5.371 -18.982 1.00 0.00 H new ATOM 788 N ALA A 54 -3.827 -6.279 -21.391 1.00 0.00 N ATOM 789 CA ALA A 54 -4.353 -7.074 -22.493 1.00 0.00 C ATOM 790 C ALA A 54 -3.252 -7.428 -23.488 1.00 0.00 C ATOM 791 O ALA A 54 -2.921 -8.600 -23.671 1.00 0.00 O ATOM 792 CB ALA A 54 -5.478 -6.326 -23.193 1.00 0.00 C ATOM 0 H ALA A 54 -4.285 -5.376 -21.266 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.749 -8.003 -22.082 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.862 -6.931 -24.014 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.280 -6.128 -22.482 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.099 -5.382 -23.585 1.00 0.00 H new ATOM 798 N LEU A 55 -2.688 -6.410 -24.127 1.00 0.00 N ATOM 799 CA LEU A 55 -1.624 -6.614 -25.104 1.00 0.00 C ATOM 800 C LEU A 55 -0.560 -7.561 -24.560 1.00 0.00 C ATOM 801 O LEU A 55 -0.037 -8.407 -25.285 1.00 0.00 O ATOM 802 CB LEU A 55 -0.987 -5.275 -25.481 1.00 0.00 C ATOM 803 CG LEU A 55 -1.682 -4.492 -26.595 1.00 0.00 C ATOM 804 CD1 LEU A 55 -1.041 -3.123 -26.765 1.00 0.00 C ATOM 805 CD2 LEU A 55 -1.636 -5.269 -27.903 1.00 0.00 C ATOM 0 H LEU A 55 -2.950 -5.434 -23.986 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.063 -7.064 -25.994 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.953 -4.648 -24.590 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.045 -5.458 -25.782 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.726 -4.351 -26.316 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.549 -2.580 -27.562 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.126 -2.563 -25.834 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.012 -3.243 -27.021 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.136 -4.696 -28.684 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.598 -5.442 -28.187 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.142 -6.226 -27.776 1.00 0.00 H new ATOM 817 N LYS A 56 -0.245 -7.415 -23.277 1.00 0.00 N ATOM 818 CA LYS A 56 0.754 -8.259 -22.633 1.00 0.00 C ATOM 819 C LYS A 56 0.357 -9.730 -22.713 1.00 0.00 C ATOM 820 O LYS A 56 -0.654 -10.142 -22.143 1.00 0.00 O ATOM 821 CB LYS A 56 0.933 -7.847 -21.170 1.00 0.00 C ATOM 822 CG LYS A 56 1.989 -8.654 -20.436 1.00 0.00 C ATOM 823 CD LYS A 56 2.270 -8.082 -19.056 1.00 0.00 C ATOM 824 CE LYS A 56 3.450 -8.777 -18.394 1.00 0.00 C ATOM 825 NZ LYS A 56 4.731 -8.482 -19.093 1.00 0.00 N ATOM 0 H LYS A 56 -0.668 -6.719 -22.663 1.00 0.00 H new ATOM 0 HA LYS A 56 1.699 -8.127 -23.160 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.201 -6.791 -21.129 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.020 -7.955 -20.652 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.657 -9.688 -20.341 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.909 -8.667 -21.020 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.475 -7.015 -19.138 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.385 -8.190 -18.429 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.522 -8.459 -17.354 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.280 -9.854 -18.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.084 -9.347 -19.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.572 -7.749 -19.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.433 -8.144 -18.404 1.00 0.00 H new ATOM 839 N CYS A 57 1.160 -10.517 -23.421 1.00 0.00 N ATOM 840 CA CYS A 57 0.893 -11.942 -23.575 1.00 0.00 C ATOM 841 C CYS A 57 0.694 -12.607 -22.216 1.00 0.00 C ATOM 842 O CYS A 57 0.748 -11.949 -21.178 1.00 0.00 O ATOM 843 CB CYS A 57 2.043 -12.619 -24.323 1.00 0.00 C ATOM 844 SG CYS A 57 1.538 -14.064 -25.311 1.00 0.00 S ATOM 0 H CYS A 57 2.001 -10.192 -23.897 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.024 -12.055 -24.153 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.514 -11.889 -24.981 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.798 -12.931 -23.601 1.00 0.00 H new ATOM 0 HG CYS A 57 2.326 -14.185 -26.338 1.00 0.00 H new ATOM 849 N GLN A 58 0.465 -13.917 -22.232 1.00 0.00 N ATOM 850 CA GLN A 58 0.258 -14.671 -21.002 1.00 0.00 C ATOM 851 C GLN A 58 1.213 -15.857 -20.923 1.00 0.00 C ATOM 852 O GLN A 58 1.691 -16.212 -19.845 1.00 0.00 O ATOM 853 CB GLN A 58 -1.189 -15.159 -20.916 1.00 0.00 C ATOM 854 CG GLN A 58 -2.168 -14.087 -20.465 1.00 0.00 C ATOM 855 CD GLN A 58 -3.590 -14.371 -20.907 1.00 0.00 C ATOM 856 OE1 GLN A 58 -4.492 -14.514 -20.082 1.00 0.00 O ATOM 857 NE2 GLN A 58 -3.797 -14.454 -22.216 1.00 0.00 N ATOM 0 H GLN A 58 0.418 -14.477 -23.083 1.00 0.00 H new ATOM 0 HA GLN A 58 0.461 -14.008 -20.161 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.496 -15.532 -21.893 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.239 -15.999 -20.224 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.139 -14.008 -19.378 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.854 -13.122 -20.864 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.020 -14.329 -22.864 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.733 -14.643 -22.573 1.00 0.00 H new ATOM 866 N HIS A 59 1.487 -16.467 -22.072 1.00 0.00 N ATOM 867 CA HIS A 59 2.386 -17.615 -22.133 1.00 0.00 C ATOM 868 C HIS A 59 3.843 -17.167 -22.066 1.00 0.00 C ATOM 869 O HIS A 59 4.669 -17.804 -21.412 1.00 0.00 O ATOM 870 CB HIS A 59 2.143 -18.412 -23.415 1.00 0.00 C ATOM 871 CG HIS A 59 0.699 -18.718 -23.665 1.00 0.00 C ATOM 872 ND1 HIS A 59 0.119 -19.927 -23.344 1.00 0.00 N ATOM 873 CD2 HIS A 59 -0.285 -17.964 -24.209 1.00 0.00 C ATOM 874 CE1 HIS A 59 -1.158 -19.904 -23.680 1.00 0.00 C ATOM 875 NE2 HIS A 59 -1.429 -18.724 -24.206 1.00 0.00 N ATOM 0 H HIS A 59 1.100 -16.186 -22.973 1.00 0.00 H new ATOM 0 HA HIS A 59 2.181 -18.253 -21.274 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.539 -17.852 -24.262 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.700 -19.347 -23.363 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.188 -16.953 -24.577 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.861 -20.713 -23.547 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.340 -18.425 -24.554 1.00 0.00 H new ATOM 883 N CYS A 60 4.151 -16.068 -22.747 1.00 0.00 N ATOM 884 CA CYS A 60 5.508 -15.536 -22.766 1.00 0.00 C ATOM 885 C CYS A 60 5.623 -14.308 -21.868 1.00 0.00 C ATOM 886 O CYS A 60 6.724 -13.894 -21.502 1.00 0.00 O ATOM 887 CB CYS A 60 5.917 -15.176 -24.196 1.00 0.00 C ATOM 888 SG CYS A 60 5.259 -13.580 -24.778 1.00 0.00 S ATOM 0 H CYS A 60 3.479 -15.529 -23.293 1.00 0.00 H new ATOM 0 HA CYS A 60 6.179 -16.306 -22.386 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.005 -15.152 -24.256 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.578 -15.964 -24.869 1.00 0.00 H new ATOM 0 HG CYS A 60 4.683 -13.743 -25.932 1.00 0.00 H new ATOM 893 N ARG A 61 4.480 -13.729 -21.517 1.00 0.00 N ATOM 894 CA ARG A 61 4.452 -12.548 -20.662 1.00 0.00 C ATOM 895 C ARG A 61 5.307 -11.430 -21.252 1.00 0.00 C ATOM 896 O ARG A 61 6.181 -10.883 -20.580 1.00 0.00 O ATOM 897 CB ARG A 61 4.947 -12.897 -19.257 1.00 0.00 C ATOM 898 CG ARG A 61 3.981 -13.768 -18.470 1.00 0.00 C ATOM 899 CD ARG A 61 2.891 -12.936 -17.812 1.00 0.00 C ATOM 900 NE ARG A 61 3.378 -12.235 -16.627 1.00 0.00 N ATOM 901 CZ ARG A 61 3.478 -12.799 -15.429 1.00 0.00 C ATOM 902 NH1 ARG A 61 3.128 -14.067 -15.258 1.00 0.00 N ATOM 903 NH2 ARG A 61 3.930 -12.095 -14.399 1.00 0.00 N ATOM 0 H ARG A 61 3.561 -14.058 -21.811 1.00 0.00 H new ATOM 0 HA ARG A 61 3.421 -12.199 -20.600 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.905 -13.411 -19.336 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.125 -11.975 -18.704 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.528 -14.503 -19.135 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.528 -14.322 -17.707 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.505 -12.211 -18.529 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.059 -13.583 -17.534 1.00 0.00 H new ATOM 0 HE ARG A 61 3.657 -11.259 -16.725 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.781 -14.611 -16.048 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.206 -14.498 -14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.201 -11.120 -14.527 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.007 -12.529 -13.479 1.00 0.00 H new ATOM 917 N LYS A 62 5.049 -11.097 -22.512 1.00 0.00 N ATOM 918 CA LYS A 62 5.794 -10.045 -23.193 1.00 0.00 C ATOM 919 C LYS A 62 4.847 -9.052 -23.860 1.00 0.00 C ATOM 920 O LYS A 62 3.947 -9.443 -24.603 1.00 0.00 O ATOM 921 CB LYS A 62 6.733 -10.651 -24.239 1.00 0.00 C ATOM 922 CG LYS A 62 7.844 -9.712 -24.675 1.00 0.00 C ATOM 923 CD LYS A 62 8.668 -10.310 -25.803 1.00 0.00 C ATOM 924 CE LYS A 62 9.587 -9.274 -26.432 1.00 0.00 C ATOM 925 NZ LYS A 62 10.762 -8.976 -25.567 1.00 0.00 N ATOM 0 H LYS A 62 4.329 -11.541 -23.082 1.00 0.00 H new ATOM 0 HA LYS A 62 6.385 -9.513 -22.448 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.176 -11.561 -23.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.150 -10.942 -25.113 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.414 -8.764 -25.000 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.492 -9.494 -23.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.262 -11.140 -25.421 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.003 -10.718 -26.564 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.932 -9.635 -27.401 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.028 -8.356 -26.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.363 -8.266 -26.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.434 -8.607 -24.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.310 -9.847 -25.414 1.00 0.00 H new ATOM 939 N GLN A 63 5.057 -7.768 -23.590 1.00 0.00 N ATOM 940 CA GLN A 63 4.221 -6.720 -24.165 1.00 0.00 C ATOM 941 C GLN A 63 4.530 -6.530 -25.647 1.00 0.00 C ATOM 942 O GLN A 63 5.608 -6.891 -26.118 1.00 0.00 O ATOM 943 CB GLN A 63 4.430 -5.404 -23.415 1.00 0.00 C ATOM 944 CG GLN A 63 3.204 -4.504 -23.414 1.00 0.00 C ATOM 945 CD GLN A 63 3.069 -3.701 -24.693 1.00 0.00 C ATOM 946 OE1 GLN A 63 4.009 -3.605 -25.482 1.00 0.00 O ATOM 947 NE2 GLN A 63 1.894 -3.119 -24.905 1.00 0.00 N ATOM 0 H GLN A 63 5.798 -7.428 -22.977 1.00 0.00 H new ATOM 0 HA GLN A 63 3.179 -7.025 -24.066 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.711 -5.623 -22.385 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.265 -4.867 -23.866 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.311 -5.113 -23.276 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.259 -3.822 -22.565 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.142 -3.225 -24.224 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.744 -2.566 -25.749 1.00 0.00 H new ATOM 956 N PHE A 64 3.576 -5.961 -26.376 1.00 0.00 N ATOM 957 CA PHE A 64 3.745 -5.723 -27.805 1.00 0.00 C ATOM 958 C PHE A 64 3.371 -4.289 -28.166 1.00 0.00 C ATOM 959 O PHE A 64 2.402 -3.737 -27.644 1.00 0.00 O ATOM 960 CB PHE A 64 2.891 -6.704 -28.611 1.00 0.00 C ATOM 961 CG PHE A 64 3.479 -8.083 -28.694 1.00 0.00 C ATOM 962 CD1 PHE A 64 3.681 -8.835 -27.548 1.00 0.00 C ATOM 963 CD2 PHE A 64 3.830 -8.628 -29.919 1.00 0.00 C ATOM 964 CE1 PHE A 64 4.221 -10.105 -27.621 1.00 0.00 C ATOM 965 CE2 PHE A 64 4.370 -9.898 -29.998 1.00 0.00 C ATOM 966 CZ PHE A 64 4.567 -10.637 -28.848 1.00 0.00 C ATOM 0 H PHE A 64 2.678 -5.656 -26.001 1.00 0.00 H new ATOM 0 HA PHE A 64 4.795 -5.878 -28.052 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.901 -6.767 -28.160 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.758 -6.313 -29.620 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.413 -8.424 -26.586 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.680 -8.054 -30.822 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.372 -10.681 -26.720 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.638 -10.312 -30.959 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.991 -11.629 -28.908 1.00 0.00 H new ATOM 976 N LYS A 65 4.147 -3.689 -29.063 1.00 0.00 N ATOM 977 CA LYS A 65 3.899 -2.319 -29.496 1.00 0.00 C ATOM 978 C LYS A 65 2.730 -2.261 -30.475 1.00 0.00 C ATOM 979 O LYS A 65 2.048 -1.243 -30.582 1.00 0.00 O ATOM 980 CB LYS A 65 5.153 -1.734 -30.148 1.00 0.00 C ATOM 981 CG LYS A 65 5.081 -0.232 -30.367 1.00 0.00 C ATOM 982 CD LYS A 65 6.459 0.405 -30.324 1.00 0.00 C ATOM 983 CE LYS A 65 6.377 1.891 -30.010 1.00 0.00 C ATOM 984 NZ LYS A 65 6.004 2.691 -31.209 1.00 0.00 N ATOM 0 H LYS A 65 4.954 -4.131 -29.504 1.00 0.00 H new ATOM 0 HA LYS A 65 3.644 -1.727 -28.617 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.017 -1.961 -29.523 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.316 -2.225 -31.107 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.614 -0.026 -31.330 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.447 0.218 -29.603 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.068 -0.094 -29.570 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.957 0.262 -31.283 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.643 2.056 -29.221 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.338 2.235 -29.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.959 3.698 -30.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.717 2.554 -31.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.075 2.380 -31.558 1.00 0.00 H new ATOM 998 N SER A 66 2.504 -3.362 -31.185 1.00 0.00 N ATOM 999 CA SER A 66 1.419 -3.435 -32.157 1.00 0.00 C ATOM 1000 C SER A 66 0.640 -4.738 -32.004 1.00 0.00 C ATOM 1001 O SER A 66 1.180 -5.825 -32.210 1.00 0.00 O ATOM 1002 CB SER A 66 1.971 -3.320 -33.579 1.00 0.00 C ATOM 1003 OG SER A 66 2.503 -2.029 -33.817 1.00 0.00 O ATOM 0 H SER A 66 3.057 -4.215 -31.105 1.00 0.00 H new ATOM 0 HA SER A 66 0.740 -2.603 -31.971 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.747 -4.070 -33.733 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.179 -3.528 -34.298 1.00 0.00 H new ATOM 0 HG SER A 66 2.851 -1.982 -34.732 1.00 0.00 H new ATOM 1009 N LYS A 67 -0.633 -4.620 -31.642 1.00 0.00 N ATOM 1010 CA LYS A 67 -1.488 -5.787 -31.463 1.00 0.00 C ATOM 1011 C LYS A 67 -1.367 -6.739 -32.649 1.00 0.00 C ATOM 1012 O LYS A 67 -1.552 -7.947 -32.508 1.00 0.00 O ATOM 1013 CB LYS A 67 -2.946 -5.354 -31.289 1.00 0.00 C ATOM 1014 CG LYS A 67 -3.537 -4.698 -32.526 1.00 0.00 C ATOM 1015 CD LYS A 67 -5.038 -4.915 -32.609 1.00 0.00 C ATOM 1016 CE LYS A 67 -5.802 -3.807 -31.900 1.00 0.00 C ATOM 1017 NZ LYS A 67 -5.901 -2.579 -32.737 1.00 0.00 N ATOM 0 H LYS A 67 -1.095 -3.728 -31.467 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.161 -6.311 -30.565 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.546 -6.225 -31.028 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.013 -4.659 -30.452 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.323 -3.629 -32.509 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.060 -5.105 -33.418 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.343 -4.957 -33.655 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.293 -5.877 -32.163 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.803 -4.158 -31.650 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.305 -3.567 -30.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.428 -1.847 -32.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.946 -2.229 -32.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.398 -2.802 -33.623 1.00 0.00 H new ATOM 1031 N ALA A 68 -1.054 -6.185 -33.816 1.00 0.00 N ATOM 1032 CA ALA A 68 -0.904 -6.985 -35.025 1.00 0.00 C ATOM 1033 C ALA A 68 0.183 -8.041 -34.854 1.00 0.00 C ATOM 1034 O ALA A 68 0.024 -9.185 -35.278 1.00 0.00 O ATOM 1035 CB ALA A 68 -0.591 -6.090 -36.215 1.00 0.00 C ATOM 0 H ALA A 68 -0.899 -5.186 -33.949 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.847 -7.499 -35.210 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.482 -6.701 -37.111 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.404 -5.378 -36.358 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.337 -5.549 -36.029 1.00 0.00 H new ATOM 1041 N GLY A 69 1.290 -7.648 -34.230 1.00 0.00 N ATOM 1042 CA GLY A 69 2.388 -8.572 -34.015 1.00 0.00 C ATOM 1043 C GLY A 69 2.057 -9.637 -32.988 1.00 0.00 C ATOM 1044 O GLY A 69 2.480 -10.787 -33.116 1.00 0.00 O ATOM 0 H GLY A 69 1.445 -6.706 -33.870 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.646 -9.050 -34.960 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.267 -8.017 -33.688 1.00 0.00 H new ATOM 1048 N LEU A 70 1.300 -9.255 -31.965 1.00 0.00 N ATOM 1049 CA LEU A 70 0.913 -10.185 -30.910 1.00 0.00 C ATOM 1050 C LEU A 70 -0.033 -11.255 -31.447 1.00 0.00 C ATOM 1051 O LEU A 70 0.037 -12.416 -31.047 1.00 0.00 O ATOM 1052 CB LEU A 70 0.248 -9.432 -29.757 1.00 0.00 C ATOM 1053 CG LEU A 70 -0.271 -10.291 -28.604 1.00 0.00 C ATOM 1054 CD1 LEU A 70 0.845 -10.587 -27.614 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -1.436 -9.603 -27.908 1.00 0.00 C ATOM 0 H LEU A 70 0.942 -8.308 -31.844 1.00 0.00 H new ATOM 0 HA LEU A 70 1.815 -10.675 -30.543 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.965 -8.716 -29.356 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.586 -8.857 -30.159 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.626 -11.237 -29.013 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.457 -11.199 -26.800 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.648 -11.123 -28.120 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.232 -9.651 -27.211 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.792 -10.229 -27.090 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.107 -8.642 -27.513 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.244 -9.444 -28.622 1.00 0.00 H new ATOM 1067 N ASN A 71 -0.916 -10.854 -32.356 1.00 0.00 N ATOM 1068 CA ASN A 71 -1.876 -11.778 -32.949 1.00 0.00 C ATOM 1069 C ASN A 71 -1.162 -12.950 -33.615 1.00 0.00 C ATOM 1070 O ASN A 71 -1.436 -14.112 -33.312 1.00 0.00 O ATOM 1071 CB ASN A 71 -2.751 -11.051 -33.972 1.00 0.00 C ATOM 1072 CG ASN A 71 -3.539 -9.913 -33.353 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -3.714 -9.854 -32.136 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -4.020 -9.003 -34.192 1.00 0.00 N ATOM 0 H ASN A 71 -0.987 -9.896 -32.698 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.509 -12.167 -32.151 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.122 -10.661 -34.772 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.441 -11.762 -34.427 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.559 -8.214 -33.835 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.850 -9.093 -35.194 1.00 0.00 H new ATOM 1081 N TYR A 72 -0.244 -12.638 -34.523 1.00 0.00 N ATOM 1082 CA TYR A 72 0.509 -13.664 -35.234 1.00 0.00 C ATOM 1083 C TYR A 72 1.532 -14.324 -34.315 1.00 0.00 C ATOM 1084 O TYR A 72 1.861 -15.500 -34.475 1.00 0.00 O ATOM 1085 CB TYR A 72 1.214 -13.060 -36.450 1.00 0.00 C ATOM 1086 CG TYR A 72 1.634 -14.086 -37.477 1.00 0.00 C ATOM 1087 CD1 TYR A 72 2.840 -14.766 -37.356 1.00 0.00 C ATOM 1088 CD2 TYR A 72 0.827 -14.375 -38.571 1.00 0.00 C ATOM 1089 CE1 TYR A 72 3.229 -15.704 -38.293 1.00 0.00 C ATOM 1090 CE2 TYR A 72 1.207 -15.312 -39.512 1.00 0.00 C ATOM 1091 CZ TYR A 72 2.409 -15.973 -39.369 1.00 0.00 C ATOM 1092 OH TYR A 72 2.792 -16.906 -40.305 1.00 0.00 O ATOM 0 H TYR A 72 -0.003 -11.682 -34.784 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.194 -14.425 -35.572 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.550 -12.336 -36.922 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.095 -12.513 -36.114 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.484 -14.558 -36.515 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.114 -13.858 -38.687 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.170 -16.223 -38.184 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.567 -15.526 -40.355 1.00 0.00 H new ATOM 0 HH TYR A 72 2.102 -16.977 -40.997 1.00 0.00 H new ATOM 1102 N HIS A 73 2.031 -13.559 -33.349 1.00 0.00 N ATOM 1103 CA HIS A 73 3.016 -14.068 -32.402 1.00 0.00 C ATOM 1104 C HIS A 73 2.418 -15.174 -31.538 1.00 0.00 C ATOM 1105 O HIS A 73 2.973 -16.269 -31.440 1.00 0.00 O ATOM 1106 CB HIS A 73 3.535 -12.936 -31.515 1.00 0.00 C ATOM 1107 CG HIS A 73 3.889 -13.376 -30.128 1.00 0.00 C ATOM 1108 ND1 HIS A 73 5.151 -13.803 -29.772 1.00 0.00 N ATOM 1109 CD2 HIS A 73 3.137 -13.452 -29.005 1.00 0.00 C ATOM 1110 CE1 HIS A 73 5.160 -14.124 -28.491 1.00 0.00 C ATOM 1111 NE2 HIS A 73 3.950 -13.920 -28.002 1.00 0.00 N ATOM 0 H HIS A 73 1.769 -12.584 -33.202 1.00 0.00 H new ATOM 0 HA HIS A 73 3.848 -14.484 -32.970 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.415 -12.493 -31.982 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.777 -12.154 -31.457 1.00 0.00 H new ATOM 0 HD1 HIS A 73 5.953 -13.862 -30.400 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.092 -13.193 -28.915 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.012 -14.491 -27.937 1.00 0.00 H new ATOM 1119 N THR A 74 1.283 -14.880 -30.912 1.00 0.00 N ATOM 1120 CA THR A 74 0.611 -15.848 -30.054 1.00 0.00 C ATOM 1121 C THR A 74 0.346 -17.152 -30.799 1.00 0.00 C ATOM 1122 O THR A 74 0.303 -18.224 -30.196 1.00 0.00 O ATOM 1123 CB THR A 74 -0.725 -15.295 -29.521 1.00 0.00 C ATOM 1124 OG1 THR A 74 -0.503 -14.058 -28.835 1.00 0.00 O ATOM 1125 CG2 THR A 74 -1.386 -16.291 -28.581 1.00 0.00 C ATOM 0 H THR A 74 0.810 -13.979 -30.983 1.00 0.00 H new ATOM 0 HA THR A 74 1.277 -16.041 -29.213 1.00 0.00 H new ATOM 0 HB THR A 74 -1.388 -15.126 -30.369 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.325 -13.349 -29.488 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.327 -15.879 -28.217 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.579 -17.222 -29.114 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.726 -16.487 -27.736 1.00 0.00 H new ATOM 1133 N MET A 75 0.171 -17.053 -32.113 1.00 0.00 N ATOM 1134 CA MET A 75 -0.088 -18.226 -32.939 1.00 0.00 C ATOM 1135 C MET A 75 1.215 -18.923 -33.316 1.00 0.00 C ATOM 1136 O MET A 75 1.322 -20.146 -33.234 1.00 0.00 O ATOM 1137 CB MET A 75 -0.850 -17.827 -34.204 1.00 0.00 C ATOM 1138 CG MET A 75 -1.773 -18.916 -34.727 1.00 0.00 C ATOM 1139 SD MET A 75 -1.973 -18.857 -36.518 1.00 0.00 S ATOM 1140 CE MET A 75 -2.449 -17.146 -36.749 1.00 0.00 C ATOM 0 H MET A 75 0.204 -16.173 -32.628 1.00 0.00 H new ATOM 0 HA MET A 75 -0.697 -18.920 -32.360 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.438 -16.933 -33.997 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.133 -17.565 -34.982 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.377 -19.891 -34.442 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.750 -18.818 -34.253 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.813 -17.004 -37.766 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.238 -16.889 -36.042 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.586 -16.502 -36.580 1.00 0.00 H new ATOM 1150 N ALA A 76 2.204 -18.137 -33.730 1.00 0.00 N ATOM 1151 CA ALA A 76 3.500 -18.679 -34.118 1.00 0.00 C ATOM 1152 C ALA A 76 4.251 -19.225 -32.908 1.00 0.00 C ATOM 1153 O ALA A 76 4.575 -20.411 -32.852 1.00 0.00 O ATOM 1154 CB ALA A 76 4.329 -17.613 -34.819 1.00 0.00 C ATOM 0 H ALA A 76 2.132 -17.122 -33.805 1.00 0.00 H new ATOM 0 HA ALA A 76 3.329 -19.504 -34.809 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.294 -18.031 -35.103 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.804 -17.272 -35.712 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.483 -16.770 -34.145 1.00 0.00 H new ATOM 1160 N GLU A 77 4.524 -18.352 -31.943 1.00 0.00 N ATOM 1161 CA GLU A 77 5.238 -18.749 -30.735 1.00 0.00 C ATOM 1162 C GLU A 77 4.419 -19.748 -29.922 1.00 0.00 C ATOM 1163 O GLU A 77 4.867 -20.863 -29.655 1.00 0.00 O ATOM 1164 CB GLU A 77 5.560 -17.521 -29.881 1.00 0.00 C ATOM 1165 CG GLU A 77 6.883 -16.863 -30.234 1.00 0.00 C ATOM 1166 CD GLU A 77 8.003 -17.869 -30.419 1.00 0.00 C ATOM 1167 OE1 GLU A 77 8.154 -18.388 -31.544 1.00 0.00 O ATOM 1168 OE2 GLU A 77 8.729 -18.136 -29.438 1.00 0.00 O ATOM 0 H GLU A 77 4.262 -17.367 -31.974 1.00 0.00 H new ATOM 0 HA GLU A 77 6.170 -19.229 -31.035 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.759 -16.790 -29.994 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.578 -17.814 -28.831 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.764 -16.285 -31.150 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.157 -16.160 -29.447 1.00 0.00 H new ATOM 1175 N HIS A 78 3.216 -19.339 -29.531 1.00 0.00 N ATOM 1176 CA HIS A 78 2.334 -20.197 -28.748 1.00 0.00 C ATOM 1177 C HIS A 78 1.176 -20.707 -29.600 1.00 0.00 C ATOM 1178 O HIS A 78 1.089 -20.407 -30.791 1.00 0.00 O ATOM 1179 CB HIS A 78 1.795 -19.439 -27.535 1.00 0.00 C ATOM 1180 CG HIS A 78 2.765 -18.447 -26.969 1.00 0.00 C ATOM 1181 ND1 HIS A 78 4.087 -18.747 -26.718 1.00 0.00 N ATOM 1182 CD2 HIS A 78 2.598 -17.154 -26.607 1.00 0.00 C ATOM 1183 CE1 HIS A 78 4.691 -17.682 -26.223 1.00 0.00 C ATOM 1184 NE2 HIS A 78 3.810 -16.701 -26.147 1.00 0.00 N ATOM 0 H HIS A 78 2.830 -18.419 -29.744 1.00 0.00 H new ATOM 0 HA HIS A 78 2.913 -21.054 -28.403 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.880 -18.919 -27.819 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.526 -20.156 -26.759 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.529 -19.650 -26.888 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.682 -16.585 -26.668 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.729 -17.623 -25.930 1.00 0.00 H new