USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=19 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 -110:sc= -0.468 USER MOD Set 1.2: A 60 CYS SG : rot -164:sc= -2.67 USER MOD Set 1.3: A 73 HIS :FLIP no HE2:sc= -2.59 F(o=-9.2!,f=-7.7) USER MOD Set 1.4: A 74 THR OG1 : rot 94:sc= 1.13 USER MOD Set 1.5: A 78 HIS : no HD1:sc= -3.13 K(o=-7.7,f=-10!) USER MOD Set 2.1: A 52 GLN :FLIP amide:sc= -0.154 F(o=-2.2,f=-0.14) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 161:sc= 0.0182 (180deg=0) USER MOD Set 3.1: A 27 CYS SG : rot 120:sc= -0.101 USER MOD Set 3.2: A 30 CYS SG : rot -82:sc= -3.88! USER MOD Set 3.3: A 44 HIS :FLIP no HD1:sc= -1.62 F(o=-6!,f=-5) USER MOD Set 3.4: A 48 CYS SG : rot 170:sc= 0.592 USER MOD Single : A 14 GLN : amide:sc= 0.856 K(o=0.86,f=-0.56) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.963 F(o=-1.5,f=-0.96) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -2.39! F(o=-2.9,f=-2.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.23 K(o=-2.2,f=-7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -49:sc= 0.891 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -118:sc= -1.71 (180deg=-6.34!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.5) USER MOD Single : A 66 SER OG : rot 40:sc= 1.04 USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0598) USER MOD Single : A 71 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.006) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -2.112 13.561 -5.800 1.00 0.00 N ATOM 95 CA PRO A 11 -2.307 13.039 -7.156 1.00 0.00 C ATOM 96 C PRO A 11 -1.117 13.326 -8.065 1.00 0.00 C ATOM 97 O PRO A 11 -0.614 12.432 -8.745 1.00 0.00 O ATOM 98 CB PRO A 11 -3.549 13.786 -7.649 1.00 0.00 C ATOM 99 CG PRO A 11 -3.570 15.048 -6.857 1.00 0.00 C ATOM 100 CD PRO A 11 -2.996 14.702 -5.511 1.00 0.00 C ATOM 0 HA PRO A 11 -2.414 11.954 -7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.490 13.990 -8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.454 13.201 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.981 15.825 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.586 15.432 -6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.445 15.539 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.776 14.435 -4.798 1.00 0.00 H new ATOM 108 N GLU A 12 -0.671 14.578 -8.070 1.00 0.00 N ATOM 109 CA GLU A 12 0.460 14.982 -8.897 1.00 0.00 C ATOM 110 C GLU A 12 1.655 15.372 -8.031 1.00 0.00 C ATOM 111 O GLU A 12 2.077 16.528 -8.023 1.00 0.00 O ATOM 112 CB GLU A 12 0.068 16.153 -9.801 1.00 0.00 C ATOM 113 CG GLU A 12 -1.078 15.834 -10.746 1.00 0.00 C ATOM 114 CD GLU A 12 -1.920 17.052 -11.073 1.00 0.00 C ATOM 115 OE1 GLU A 12 -1.773 18.078 -10.377 1.00 0.00 O ATOM 116 OE2 GLU A 12 -2.725 16.979 -12.025 1.00 0.00 O ATOM 0 H GLU A 12 -1.075 15.330 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 12 0.744 14.133 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.211 17.004 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.936 16.456 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.677 15.415 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.711 15.069 -10.298 1.00 0.00 H new ATOM 123 N GLU A 13 2.193 14.399 -7.302 1.00 0.00 N ATOM 124 CA GLU A 13 3.337 14.641 -6.431 1.00 0.00 C ATOM 125 C GLU A 13 4.647 14.367 -7.165 1.00 0.00 C ATOM 126 O GLU A 13 5.625 15.096 -7.003 1.00 0.00 O ATOM 127 CB GLU A 13 3.248 13.765 -5.180 1.00 0.00 C ATOM 128 CG GLU A 13 3.202 12.276 -5.481 1.00 0.00 C ATOM 129 CD GLU A 13 3.477 11.425 -4.256 1.00 0.00 C ATOM 130 OE1 GLU A 13 4.664 11.253 -3.909 1.00 0.00 O ATOM 131 OE2 GLU A 13 2.506 10.930 -3.647 1.00 0.00 O ATOM 0 H GLU A 13 1.855 13.437 -7.297 1.00 0.00 H new ATOM 0 HA GLU A 13 3.319 15.689 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.106 13.971 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.357 14.041 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.222 12.021 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.935 12.042 -6.253 1.00 0.00 H new ATOM 138 N GLN A 14 4.656 13.310 -7.972 1.00 0.00 N ATOM 139 CA GLN A 14 5.845 12.939 -8.730 1.00 0.00 C ATOM 140 C GLN A 14 5.707 13.344 -10.193 1.00 0.00 C ATOM 141 O GLN A 14 6.702 13.570 -10.881 1.00 0.00 O ATOM 142 CB GLN A 14 6.092 11.433 -8.626 1.00 0.00 C ATOM 143 CG GLN A 14 5.431 10.631 -9.736 1.00 0.00 C ATOM 144 CD GLN A 14 5.141 9.200 -9.328 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.769 8.663 -8.415 1.00 0.00 O ATOM 146 NE2 GLN A 14 4.185 8.573 -10.004 1.00 0.00 N ATOM 0 H GLN A 14 3.854 12.697 -8.117 1.00 0.00 H new ATOM 0 HA GLN A 14 6.697 13.470 -8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.166 11.247 -8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.724 11.078 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.500 11.118 -10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.078 10.631 -10.614 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.690 9.056 -10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.946 7.608 -9.774 1.00 0.00 H new ATOM 155 N TRP A 15 4.468 13.434 -10.662 1.00 0.00 N ATOM 156 CA TRP A 15 4.199 13.812 -12.045 1.00 0.00 C ATOM 157 C TRP A 15 4.425 15.305 -12.255 1.00 0.00 C ATOM 158 O TRP A 15 4.664 15.754 -13.375 1.00 0.00 O ATOM 159 CB TRP A 15 2.766 13.441 -12.428 1.00 0.00 C ATOM 160 CG TRP A 15 2.504 11.966 -12.391 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.431 10.967 -12.478 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.230 11.325 -12.261 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.810 9.743 -12.409 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.461 9.935 -12.275 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.081 11.789 -12.132 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.427 9.009 -12.165 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.106 10.868 -12.023 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.847 9.491 -12.040 1.00 0.00 C ATOM 0 H TRP A 15 3.633 13.250 -10.105 1.00 0.00 H new ATOM 0 HA TRP A 15 4.891 13.265 -12.686 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.075 13.943 -11.750 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.557 13.815 -13.430 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.495 11.117 -12.585 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.278 8.838 -12.451 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.290 12.848 -12.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.624 7.947 -12.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.124 11.216 -11.923 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.670 8.797 -11.953 1.00 0.00 H new ATOM 179 N GLN A 16 4.347 16.069 -11.170 1.00 0.00 N ATOM 180 CA GLN A 16 4.542 17.513 -11.237 1.00 0.00 C ATOM 181 C GLN A 16 5.985 17.883 -10.907 1.00 0.00 C ATOM 182 O GLN A 16 6.581 18.740 -11.559 1.00 0.00 O ATOM 183 CB GLN A 16 3.588 18.223 -10.276 1.00 0.00 C ATOM 184 CG GLN A 16 3.354 19.685 -10.620 1.00 0.00 C ATOM 185 CD GLN A 16 4.544 20.562 -10.285 1.00 0.00 C ATOM 186 OE1 GLN A 16 5.031 21.303 -11.273 1.00 0.00 O flip ATOM 187 NE2 GLN A 16 5.022 20.572 -9.150 1.00 0.00 N flip ATOM 0 H GLN A 16 4.150 15.713 -10.235 1.00 0.00 H new ATOM 0 HA GLN A 16 4.327 17.837 -12.255 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.631 17.701 -10.275 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.988 18.156 -9.264 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.131 19.773 -11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.479 20.046 -10.080 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.616 19.986 -8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.824 21.166 -8.940 1.00 0.00 H new ATOM 196 N ARG A 17 6.539 17.232 -9.889 1.00 0.00 N ATOM 197 CA ARG A 17 7.911 17.494 -9.471 1.00 0.00 C ATOM 198 C ARG A 17 8.853 17.499 -10.671 1.00 0.00 C ATOM 199 O ARG A 17 9.899 18.148 -10.649 1.00 0.00 O ATOM 200 CB ARG A 17 8.366 16.445 -8.456 1.00 0.00 C ATOM 201 CG ARG A 17 8.881 15.164 -9.092 1.00 0.00 C ATOM 202 CD ARG A 17 9.610 14.293 -8.081 1.00 0.00 C ATOM 203 NE ARG A 17 8.891 14.206 -6.814 1.00 0.00 N ATOM 204 CZ ARG A 17 8.987 13.173 -5.984 1.00 0.00 C ATOM 205 NH1 ARG A 17 9.769 12.146 -6.286 1.00 0.00 N ATOM 206 NH2 ARG A 17 8.300 13.167 -4.848 1.00 0.00 N ATOM 0 H ARG A 17 6.059 16.520 -9.339 1.00 0.00 H new ATOM 0 HA ARG A 17 7.941 18.478 -9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.151 16.872 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.532 16.204 -7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.046 14.607 -9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.553 15.410 -9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.741 13.292 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.606 14.698 -7.905 1.00 0.00 H new ATOM 0 HE ARG A 17 8.281 14.981 -6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.299 12.148 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.841 11.354 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.698 13.956 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.374 12.374 -4.211 1.00 0.00 H new ATOM 220 N ALA A 18 8.476 16.771 -11.717 1.00 0.00 N ATOM 221 CA ALA A 18 9.286 16.692 -12.926 1.00 0.00 C ATOM 222 C ALA A 18 8.931 17.812 -13.898 1.00 0.00 C ATOM 223 O ALA A 18 9.797 18.337 -14.598 1.00 0.00 O ATOM 224 CB ALA A 18 9.109 15.336 -13.593 1.00 0.00 C ATOM 0 H ALA A 18 7.614 16.227 -11.751 1.00 0.00 H new ATOM 0 HA ALA A 18 10.332 16.810 -12.641 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.720 15.292 -14.495 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.419 14.549 -12.905 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.061 15.195 -13.857 1.00 0.00 H new ATOM 230 N ILE A 19 7.652 18.173 -13.937 1.00 0.00 N ATOM 231 CA ILE A 19 7.184 19.231 -14.823 1.00 0.00 C ATOM 232 C ILE A 19 7.942 20.530 -14.576 1.00 0.00 C ATOM 233 O ILE A 19 8.058 21.373 -15.467 1.00 0.00 O ATOM 234 CB ILE A 19 5.676 19.488 -14.646 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.870 18.284 -15.139 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.263 20.750 -15.388 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.400 18.358 -14.791 1.00 0.00 C ATOM 0 H ILE A 19 6.922 17.748 -13.365 1.00 0.00 H new ATOM 0 HA ILE A 19 7.369 18.893 -15.843 1.00 0.00 H new ATOM 0 HB ILE A 19 5.468 19.630 -13.585 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.975 18.205 -16.221 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.291 17.375 -14.710 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.194 20.918 -15.253 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.817 21.602 -14.993 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.481 20.636 -16.450 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.891 17.472 -15.171 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.284 18.406 -13.708 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.964 19.249 -15.242 1.00 0.00 H new ATOM 249 N HIS A 20 8.460 20.686 -13.362 1.00 0.00 N ATOM 250 CA HIS A 20 9.210 21.883 -12.998 1.00 0.00 C ATOM 251 C HIS A 20 10.704 21.583 -12.914 1.00 0.00 C ATOM 252 O HIS A 20 11.536 22.454 -13.163 1.00 0.00 O ATOM 253 CB HIS A 20 8.713 22.435 -11.662 1.00 0.00 C ATOM 254 CG HIS A 20 9.481 21.928 -10.481 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.417 20.746 -9.825 1.00 0.00 N flip ATOM 256 CD2 HIS A 20 10.450 22.669 -9.838 1.00 0.00 C flip ATOM 257 CE1 HIS A 20 10.340 20.794 -8.809 1.00 0.00 C flip ATOM 258 NE2 HIS A 20 10.950 21.964 -8.839 1.00 0.00 N flip ATOM 0 H HIS A 20 8.374 19.998 -12.613 1.00 0.00 H new ATOM 0 HA HIS A 20 9.051 22.632 -13.774 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.772 23.523 -11.683 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.661 22.175 -11.540 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.753 23.670 -10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.535 20.003 -8.100 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.683 22.272 -8.200 1.00 0.00 H new ATOM 266 N GLU A 21 11.035 20.345 -12.560 1.00 0.00 N ATOM 267 CA GLU A 21 12.428 19.932 -12.442 1.00 0.00 C ATOM 268 C GLU A 21 13.100 19.885 -13.811 1.00 0.00 C ATOM 269 O GLU A 21 14.103 20.559 -14.046 1.00 0.00 O ATOM 270 CB GLU A 21 12.522 18.561 -11.768 1.00 0.00 C ATOM 271 CG GLU A 21 12.668 18.634 -10.258 1.00 0.00 C ATOM 272 CD GLU A 21 12.411 17.301 -9.582 1.00 0.00 C ATOM 273 OE1 GLU A 21 11.740 16.445 -10.196 1.00 0.00 O ATOM 274 OE2 GLU A 21 12.879 17.114 -8.439 1.00 0.00 O ATOM 0 H GLU A 21 10.358 19.612 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 21 12.947 20.667 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.630 17.984 -12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.373 18.020 -12.181 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.673 18.975 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.973 19.376 -9.865 1.00 0.00 H new ATOM 281 N ARG A 22 12.540 19.083 -14.711 1.00 0.00 N ATOM 282 CA ARG A 22 13.085 18.946 -16.056 1.00 0.00 C ATOM 283 C ARG A 22 12.233 19.706 -17.068 1.00 0.00 C ATOM 284 O ARG A 22 12.730 20.570 -17.789 1.00 0.00 O ATOM 285 CB ARG A 22 13.167 17.469 -16.448 1.00 0.00 C ATOM 286 CG ARG A 22 11.827 16.752 -16.403 1.00 0.00 C ATOM 287 CD ARG A 22 12.005 15.245 -16.308 1.00 0.00 C ATOM 288 NE ARG A 22 10.899 14.523 -16.931 1.00 0.00 N ATOM 289 CZ ARG A 22 10.560 13.279 -16.612 1.00 0.00 C ATOM 290 NH1 ARG A 22 11.239 12.622 -15.681 1.00 0.00 N ATOM 291 NH2 ARG A 22 9.541 12.690 -17.223 1.00 0.00 N ATOM 0 H ARG A 22 11.709 18.518 -14.533 1.00 0.00 H new ATOM 0 HA ARG A 22 14.088 19.372 -16.060 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.578 17.391 -17.455 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.863 16.962 -15.780 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.252 17.106 -15.547 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.252 16.996 -17.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.941 14.959 -16.789 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.083 14.955 -15.260 1.00 0.00 H new ATOM 0 HE ARG A 22 10.357 15.000 -17.651 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.023 13.072 -15.209 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.977 11.667 -15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.016 13.192 -17.939 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.282 11.735 -16.977 1.00 0.00 H new ATOM 305 N GLY A 23 10.946 19.376 -17.117 1.00 0.00 N ATOM 306 CA GLY A 23 10.045 20.036 -18.044 1.00 0.00 C ATOM 307 C GLY A 23 8.632 19.495 -17.964 1.00 0.00 C ATOM 308 O GLY A 23 7.713 20.202 -17.551 1.00 0.00 O ATOM 0 H GLY A 23 10.511 18.663 -16.531 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.033 21.106 -17.835 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.420 19.914 -19.060 1.00 0.00 H new ATOM 312 N GLU A 24 8.457 18.238 -18.361 1.00 0.00 N ATOM 313 CA GLU A 24 7.145 17.605 -18.335 1.00 0.00 C ATOM 314 C GLU A 24 7.245 16.166 -17.837 1.00 0.00 C ATOM 315 O GLU A 24 8.340 15.627 -17.681 1.00 0.00 O ATOM 316 CB GLU A 24 6.513 17.631 -19.728 1.00 0.00 C ATOM 317 CG GLU A 24 7.254 16.784 -20.749 1.00 0.00 C ATOM 318 CD GLU A 24 6.987 17.223 -22.175 1.00 0.00 C ATOM 319 OE1 GLU A 24 5.887 16.933 -22.690 1.00 0.00 O ATOM 320 OE2 GLU A 24 7.879 17.857 -22.777 1.00 0.00 O ATOM 0 H GLU A 24 9.208 17.639 -18.704 1.00 0.00 H new ATOM 0 HA GLU A 24 6.513 18.167 -17.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.483 17.281 -19.657 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.476 18.661 -20.082 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.325 16.837 -20.551 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.959 15.741 -20.633 1.00 0.00 H new ATOM 327 N ALA A 25 6.094 15.550 -17.589 1.00 0.00 N ATOM 328 CA ALA A 25 6.051 14.174 -17.110 1.00 0.00 C ATOM 329 C ALA A 25 5.191 13.303 -18.019 1.00 0.00 C ATOM 330 O ALA A 25 4.035 13.015 -17.708 1.00 0.00 O ATOM 331 CB ALA A 25 5.528 14.128 -15.682 1.00 0.00 C ATOM 0 H ALA A 25 5.178 15.982 -17.712 1.00 0.00 H new ATOM 0 HA ALA A 25 7.066 13.778 -17.126 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.501 13.094 -15.337 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.185 14.709 -15.035 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.522 14.547 -15.649 1.00 0.00 H new ATOM 337 N VAL A 26 5.762 12.886 -19.145 1.00 0.00 N ATOM 338 CA VAL A 26 5.047 12.047 -20.100 1.00 0.00 C ATOM 339 C VAL A 26 4.706 10.691 -19.492 1.00 0.00 C ATOM 340 O VAL A 26 5.361 10.236 -18.554 1.00 0.00 O ATOM 341 CB VAL A 26 5.871 11.830 -21.383 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.294 13.164 -21.978 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.082 10.956 -21.095 1.00 0.00 C ATOM 0 H VAL A 26 6.718 13.115 -19.418 1.00 0.00 H new ATOM 0 HA VAL A 26 4.125 12.570 -20.354 1.00 0.00 H new ATOM 0 HB VAL A 26 5.246 11.316 -22.114 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.875 12.991 -22.884 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.408 13.751 -22.222 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.902 13.708 -21.255 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.653 10.812 -22.012 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.711 11.440 -20.348 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.751 9.988 -20.719 1.00 0.00 H new ATOM 353 N CYS A 27 3.676 10.049 -20.033 1.00 0.00 N ATOM 354 CA CYS A 27 3.246 8.744 -19.545 1.00 0.00 C ATOM 355 C CYS A 27 4.448 7.862 -19.219 1.00 0.00 C ATOM 356 O CYS A 27 5.259 7.532 -20.084 1.00 0.00 O ATOM 357 CB CYS A 27 2.360 8.055 -20.584 1.00 0.00 C ATOM 358 SG CYS A 27 1.527 6.554 -19.973 1.00 0.00 S ATOM 0 H CYS A 27 3.123 10.411 -20.810 1.00 0.00 H new ATOM 0 HA CYS A 27 2.672 8.896 -18.631 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.605 8.762 -20.928 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.969 7.793 -21.449 1.00 0.00 H new ATOM 0 HG CYS A 27 0.239 6.707 -20.058 1.00 0.00 H new ATOM 363 N PRO A 28 4.566 7.472 -17.941 1.00 0.00 N ATOM 364 CA PRO A 28 5.664 6.623 -17.472 1.00 0.00 C ATOM 365 C PRO A 28 5.562 5.196 -18.001 1.00 0.00 C ATOM 366 O PRO A 28 6.365 4.332 -17.647 1.00 0.00 O ATOM 367 CB PRO A 28 5.501 6.641 -15.950 1.00 0.00 C ATOM 368 CG PRO A 28 4.057 6.930 -15.727 1.00 0.00 C ATOM 369 CD PRO A 28 3.635 7.828 -16.857 1.00 0.00 C ATOM 0 HA PRO A 28 6.633 6.985 -17.816 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.786 5.685 -15.510 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.132 7.403 -15.493 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.472 6.011 -15.720 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.900 7.415 -14.764 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.598 7.653 -17.144 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.717 8.881 -16.586 1.00 0.00 H new ATOM 377 N THR A 29 4.568 4.955 -18.851 1.00 0.00 N ATOM 378 CA THR A 29 4.360 3.633 -19.428 1.00 0.00 C ATOM 379 C THR A 29 4.846 3.582 -20.873 1.00 0.00 C ATOM 380 O THR A 29 5.724 2.790 -21.215 1.00 0.00 O ATOM 381 CB THR A 29 2.875 3.228 -19.383 1.00 0.00 C ATOM 382 OG1 THR A 29 2.423 3.175 -18.025 1.00 0.00 O ATOM 383 CG2 THR A 29 2.663 1.875 -20.046 1.00 0.00 C ATOM 0 H THR A 29 3.895 5.658 -19.155 1.00 0.00 H new ATOM 0 HA THR A 29 4.938 2.931 -18.828 1.00 0.00 H new ATOM 0 HB THR A 29 2.300 3.976 -19.928 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.477 2.918 -18.005 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.607 1.610 -20.002 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.981 1.926 -21.087 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.249 1.118 -19.524 1.00 0.00 H new ATOM 391 N CYS A 30 4.269 4.431 -21.716 1.00 0.00 N ATOM 392 CA CYS A 30 4.643 4.483 -23.124 1.00 0.00 C ATOM 393 C CYS A 30 5.261 5.834 -23.474 1.00 0.00 C ATOM 394 O CYS A 30 5.953 5.969 -24.482 1.00 0.00 O ATOM 395 CB CYS A 30 3.420 4.225 -24.008 1.00 0.00 C ATOM 396 SG CYS A 30 1.881 4.972 -23.383 1.00 0.00 S ATOM 0 H CYS A 30 3.540 5.093 -21.449 1.00 0.00 H new ATOM 0 HA CYS A 30 5.385 3.706 -23.306 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.619 4.612 -25.007 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.276 3.149 -24.105 1.00 0.00 H new ATOM 0 HG CYS A 30 1.359 4.198 -22.478 1.00 0.00 H new ATOM 401 N ASN A 31 5.004 6.831 -22.633 1.00 0.00 N ATOM 402 CA ASN A 31 5.535 8.172 -22.853 1.00 0.00 C ATOM 403 C ASN A 31 4.959 8.783 -24.126 1.00 0.00 C ATOM 404 O ASN A 31 5.682 9.377 -24.925 1.00 0.00 O ATOM 405 CB ASN A 31 7.062 8.130 -22.939 1.00 0.00 C ATOM 406 CG ASN A 31 7.697 7.557 -21.687 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.203 6.584 -21.117 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.798 8.159 -21.253 1.00 0.00 N ATOM 0 H ASN A 31 4.432 6.736 -21.794 1.00 0.00 H new ATOM 0 HA ASN A 31 5.242 8.795 -22.008 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.358 7.531 -23.800 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.441 9.138 -23.107 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.269 7.818 -20.415 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.172 8.963 -21.757 1.00 0.00 H new ATOM 415 N VAL A 32 3.650 8.633 -24.308 1.00 0.00 N ATOM 416 CA VAL A 32 2.976 9.171 -25.483 1.00 0.00 C ATOM 417 C VAL A 32 1.693 9.898 -25.096 1.00 0.00 C ATOM 418 O VAL A 32 0.607 9.319 -25.120 1.00 0.00 O ATOM 419 CB VAL A 32 2.637 8.060 -26.495 1.00 0.00 C ATOM 420 CG1 VAL A 32 3.909 7.479 -27.095 1.00 0.00 C ATOM 421 CG2 VAL A 32 1.805 6.972 -25.832 1.00 0.00 C ATOM 0 H VAL A 32 3.036 8.144 -23.657 1.00 0.00 H new ATOM 0 HA VAL A 32 3.665 9.877 -25.947 1.00 0.00 H new ATOM 0 HB VAL A 32 2.048 8.495 -27.303 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.650 6.696 -27.808 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.463 8.266 -27.606 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.526 7.058 -26.301 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.574 6.195 -26.561 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.366 6.538 -25.005 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.877 7.402 -25.455 1.00 0.00 H new ATOM 431 N VAL A 33 1.825 11.171 -24.738 1.00 0.00 N ATOM 432 CA VAL A 33 0.677 11.979 -24.346 1.00 0.00 C ATOM 433 C VAL A 33 0.901 13.451 -24.676 1.00 0.00 C ATOM 434 O VAL A 33 1.914 13.818 -25.273 1.00 0.00 O ATOM 435 CB VAL A 33 0.380 11.841 -22.841 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.601 10.705 -22.592 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.669 11.623 -22.063 1.00 0.00 C ATOM 0 H VAL A 33 2.717 11.665 -24.711 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.177 11.609 -24.913 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.077 12.767 -22.492 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.799 10.623 -21.523 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.533 10.907 -23.119 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.175 9.770 -22.955 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.441 11.528 -21.001 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.156 10.713 -22.413 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.335 12.472 -22.216 1.00 0.00 H new ATOM 447 N THR A 34 -0.050 14.292 -24.281 1.00 0.00 N ATOM 448 CA THR A 34 0.044 15.724 -24.534 1.00 0.00 C ATOM 449 C THR A 34 1.250 16.330 -23.826 1.00 0.00 C ATOM 450 O THR A 34 1.659 15.860 -22.764 1.00 0.00 O ATOM 451 CB THR A 34 -1.230 16.459 -24.076 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.389 15.813 -24.614 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.203 17.915 -24.519 1.00 0.00 C ATOM 0 H THR A 34 -0.894 14.006 -23.785 1.00 0.00 H new ATOM 0 HA THR A 34 0.159 15.848 -25.611 1.00 0.00 H new ATOM 0 HB THR A 34 -1.270 16.427 -22.987 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.194 16.285 -24.317 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.113 18.414 -24.184 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.336 18.412 -24.084 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.141 17.963 -25.606 1.00 0.00 H new ATOM 461 N ARG A 35 1.814 17.377 -24.419 1.00 0.00 N ATOM 462 CA ARG A 35 2.974 18.047 -23.845 1.00 0.00 C ATOM 463 C ARG A 35 2.743 18.365 -22.370 1.00 0.00 C ATOM 464 O ARG A 35 3.641 18.210 -21.542 1.00 0.00 O ATOM 465 CB ARG A 35 3.279 19.334 -24.613 1.00 0.00 C ATOM 466 CG ARG A 35 3.531 19.113 -26.096 1.00 0.00 C ATOM 467 CD ARG A 35 3.615 20.431 -26.850 1.00 0.00 C ATOM 468 NE ARG A 35 4.296 20.285 -28.133 1.00 0.00 N ATOM 469 CZ ARG A 35 5.584 19.985 -28.252 1.00 0.00 C ATOM 470 NH1 ARG A 35 6.327 19.800 -27.169 1.00 0.00 N ATOM 471 NH2 ARG A 35 6.132 19.869 -29.455 1.00 0.00 N ATOM 0 H ARG A 35 1.486 17.780 -25.297 1.00 0.00 H new ATOM 0 HA ARG A 35 3.827 17.374 -23.925 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.444 20.025 -24.494 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.154 19.812 -24.172 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.459 18.557 -26.229 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.731 18.503 -26.515 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.610 20.819 -27.015 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.143 21.164 -26.241 1.00 0.00 H new ATOM 0 HE ARG A 35 3.752 20.421 -28.985 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.909 19.888 -26.243 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.316 19.570 -27.262 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.564 20.010 -30.290 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.122 19.639 -29.545 1.00 0.00 H new ATOM 485 N LYS A 36 1.534 18.812 -22.050 1.00 0.00 N ATOM 486 CA LYS A 36 1.182 19.152 -20.676 1.00 0.00 C ATOM 487 C LYS A 36 1.138 17.904 -19.801 1.00 0.00 C ATOM 488 O LYS A 36 1.450 17.955 -18.610 1.00 0.00 O ATOM 489 CB LYS A 36 -0.171 19.865 -20.635 1.00 0.00 C ATOM 490 CG LYS A 36 -0.087 21.350 -20.941 1.00 0.00 C ATOM 491 CD LYS A 36 -1.433 21.908 -21.371 1.00 0.00 C ATOM 492 CE LYS A 36 -2.391 22.021 -20.196 1.00 0.00 C ATOM 493 NZ LYS A 36 -2.241 23.319 -19.481 1.00 0.00 N ATOM 0 H LYS A 36 0.780 18.948 -22.724 1.00 0.00 H new ATOM 0 HA LYS A 36 1.949 19.821 -20.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.843 19.393 -21.352 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.613 19.731 -19.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.264 21.885 -20.059 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.647 21.519 -21.729 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.293 22.890 -21.823 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.868 21.264 -22.135 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.416 21.919 -20.552 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.212 21.201 -19.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.911 23.357 -18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.270 23.406 -19.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.437 24.102 -20.137 1.00 0.00 H new ATOM 507 N THR A 37 0.751 16.781 -20.398 1.00 0.00 N ATOM 508 CA THR A 37 0.666 15.519 -19.673 1.00 0.00 C ATOM 509 C THR A 37 -0.155 15.672 -18.398 1.00 0.00 C ATOM 510 O THR A 37 0.160 15.072 -17.369 1.00 0.00 O ATOM 511 CB THR A 37 2.065 14.986 -19.309 1.00 0.00 C ATOM 512 OG1 THR A 37 2.529 15.609 -18.107 1.00 0.00 O ATOM 513 CG2 THR A 37 3.053 15.246 -20.436 1.00 0.00 C ATOM 0 H THR A 37 0.491 16.720 -21.382 1.00 0.00 H new ATOM 0 HA THR A 37 0.174 14.806 -20.335 1.00 0.00 H new ATOM 0 HB THR A 37 1.991 13.910 -19.154 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.411 16.580 -18.175 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.034 14.861 -20.156 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.712 14.745 -21.342 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.123 16.318 -20.619 1.00 0.00 H new ATOM 521 N LEU A 38 -1.209 16.477 -18.471 1.00 0.00 N ATOM 522 CA LEU A 38 -2.077 16.707 -17.321 1.00 0.00 C ATOM 523 C LEU A 38 -3.540 16.486 -17.691 1.00 0.00 C ATOM 524 O LEU A 38 -4.261 15.759 -17.007 1.00 0.00 O ATOM 525 CB LEU A 38 -1.883 18.128 -16.788 1.00 0.00 C ATOM 526 CG LEU A 38 -0.975 18.268 -15.566 1.00 0.00 C ATOM 527 CD1 LEU A 38 -1.513 17.447 -14.404 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.447 17.845 -15.906 1.00 0.00 C ATOM 0 H LEU A 38 -1.483 16.981 -19.314 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.806 15.993 -16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.476 18.743 -17.591 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.862 18.537 -16.537 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.960 19.316 -15.268 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.854 17.559 -13.543 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.512 17.796 -14.144 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.559 16.397 -14.691 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.079 17.951 -15.024 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.449 16.804 -16.231 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.833 18.476 -16.707 1.00 0.00 H new ATOM 540 N VAL A 39 -3.973 17.117 -18.778 1.00 0.00 N ATOM 541 CA VAL A 39 -5.349 16.987 -19.241 1.00 0.00 C ATOM 542 C VAL A 39 -5.523 15.743 -20.105 1.00 0.00 C ATOM 543 O VAL A 39 -6.609 15.170 -20.177 1.00 0.00 O ATOM 544 CB VAL A 39 -5.790 18.223 -20.046 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.585 19.492 -19.231 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.035 18.298 -21.364 1.00 0.00 C ATOM 0 H VAL A 39 -3.390 17.724 -19.355 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.974 16.899 -18.353 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.853 18.130 -20.268 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.902 20.355 -19.816 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.176 19.437 -18.317 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.530 19.594 -18.976 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.360 19.178 -21.920 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.965 18.367 -21.167 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.238 17.403 -21.951 1.00 0.00 H new ATOM 556 N GLY A 40 -4.443 15.329 -20.761 1.00 0.00 N ATOM 557 CA GLY A 40 -4.496 14.155 -21.613 1.00 0.00 C ATOM 558 C GLY A 40 -3.822 12.952 -20.984 1.00 0.00 C ATOM 559 O GLY A 40 -4.189 11.809 -21.262 1.00 0.00 O ATOM 0 H GLY A 40 -3.532 15.786 -20.718 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.537 13.913 -21.829 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.017 14.379 -22.566 1.00 0.00 H new ATOM 563 N LEU A 41 -2.832 13.207 -20.136 1.00 0.00 N ATOM 564 CA LEU A 41 -2.103 12.135 -19.466 1.00 0.00 C ATOM 565 C LEU A 41 -3.015 11.368 -18.514 1.00 0.00 C ATOM 566 O LEU A 41 -2.892 10.152 -18.364 1.00 0.00 O ATOM 567 CB LEU A 41 -0.909 12.706 -18.699 1.00 0.00 C ATOM 568 CG LEU A 41 -0.205 11.744 -17.740 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.543 10.671 -18.515 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.744 12.503 -16.825 1.00 0.00 C ATOM 0 H LEU A 41 -2.515 14.146 -19.896 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.741 11.444 -20.227 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.177 13.067 -19.422 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.248 13.571 -18.130 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.961 11.258 -17.123 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.038 9.996 -17.817 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.161 10.108 -19.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.289 11.139 -19.157 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.236 11.803 -16.150 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.495 13.017 -17.425 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.182 13.234 -16.244 1.00 0.00 H new ATOM 582 N LYS A 42 -3.931 12.086 -17.874 1.00 0.00 N ATOM 583 CA LYS A 42 -4.867 11.474 -16.938 1.00 0.00 C ATOM 584 C LYS A 42 -5.960 10.713 -17.682 1.00 0.00 C ATOM 585 O LYS A 42 -6.373 9.631 -17.262 1.00 0.00 O ATOM 586 CB LYS A 42 -5.495 12.543 -16.041 1.00 0.00 C ATOM 587 CG LYS A 42 -4.532 13.123 -15.020 1.00 0.00 C ATOM 588 CD LYS A 42 -5.030 14.452 -14.477 1.00 0.00 C ATOM 589 CE LYS A 42 -5.994 14.255 -13.318 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.214 15.517 -12.558 1.00 0.00 N ATOM 0 H LYS A 42 -4.046 13.093 -17.986 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.314 10.768 -16.319 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.878 13.350 -16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.349 12.111 -15.518 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.403 12.418 -14.198 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.553 13.260 -15.479 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.182 15.052 -14.148 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.525 15.009 -15.273 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.948 13.889 -13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.603 13.490 -12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.877 15.340 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.308 15.853 -12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.611 16.239 -13.192 1.00 0.00 H new ATOM 604 N LYS A 43 -6.423 11.282 -18.789 1.00 0.00 N ATOM 605 CA LYS A 43 -7.466 10.657 -19.593 1.00 0.00 C ATOM 606 C LYS A 43 -6.901 9.501 -20.413 1.00 0.00 C ATOM 607 O LYS A 43 -7.600 8.529 -20.699 1.00 0.00 O ATOM 608 CB LYS A 43 -8.110 11.688 -20.522 1.00 0.00 C ATOM 609 CG LYS A 43 -8.852 12.790 -19.786 1.00 0.00 C ATOM 610 CD LYS A 43 -9.354 13.859 -20.742 1.00 0.00 C ATOM 611 CE LYS A 43 -9.571 15.186 -20.031 1.00 0.00 C ATOM 612 NZ LYS A 43 -10.944 15.295 -19.466 1.00 0.00 N ATOM 0 H LYS A 43 -6.092 12.176 -19.151 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.225 10.263 -18.916 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.336 12.136 -21.146 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.803 11.179 -21.191 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.694 12.362 -19.242 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.192 13.243 -19.046 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.635 13.992 -21.551 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.289 13.532 -21.197 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.839 15.293 -19.230 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.400 16.005 -20.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.052 16.213 -18.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.642 15.219 -20.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.099 14.529 -18.780 1.00 0.00 H new ATOM 626 N HIS A 44 -5.630 9.613 -20.788 1.00 0.00 N ATOM 627 CA HIS A 44 -4.971 8.576 -21.573 1.00 0.00 C ATOM 628 C HIS A 44 -4.625 7.372 -20.702 1.00 0.00 C ATOM 629 O HIS A 44 -4.932 6.232 -21.052 1.00 0.00 O ATOM 630 CB HIS A 44 -3.703 9.129 -22.225 1.00 0.00 C ATOM 631 CG HIS A 44 -2.682 8.078 -22.536 1.00 0.00 C ATOM 632 ND1 HIS A 44 -1.899 7.335 -21.719 1.00 0.00 N flip ATOM 633 CD2 HIS A 44 -2.370 7.689 -23.822 1.00 0.00 C flip ATOM 634 CE1 HIS A 44 -1.137 6.518 -22.518 1.00 0.00 C flip ATOM 635 NE2 HIS A 44 -1.441 6.751 -23.782 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.037 10.411 -20.561 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.660 8.252 -22.353 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.973 9.645 -23.146 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.258 9.872 -21.563 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.816 8.089 -24.721 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.408 5.802 -22.169 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.028 6.285 -24.590 1.00 0.00 H new ATOM 643 N MET A 45 -3.985 7.633 -19.567 1.00 0.00 N ATOM 644 CA MET A 45 -3.598 6.570 -18.646 1.00 0.00 C ATOM 645 C MET A 45 -4.788 5.671 -18.324 1.00 0.00 C ATOM 646 O MET A 45 -4.620 4.489 -18.024 1.00 0.00 O ATOM 647 CB MET A 45 -3.030 7.165 -17.357 1.00 0.00 C ATOM 648 CG MET A 45 -4.064 7.897 -16.518 1.00 0.00 C ATOM 649 SD MET A 45 -3.561 8.077 -14.796 1.00 0.00 S ATOM 650 CE MET A 45 -2.009 8.951 -14.987 1.00 0.00 C ATOM 0 H MET A 45 -3.723 8.571 -19.263 1.00 0.00 H new ATOM 0 HA MET A 45 -2.829 5.967 -19.128 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.590 6.366 -16.761 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.224 7.855 -17.609 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.241 8.884 -16.946 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.010 7.357 -16.562 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.197 8.340 -14.593 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.832 9.152 -16.044 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.053 9.893 -14.441 1.00 0.00 H new ATOM 660 N GLU A 46 -5.988 6.238 -18.388 1.00 0.00 N ATOM 661 CA GLU A 46 -7.204 5.487 -18.102 1.00 0.00 C ATOM 662 C GLU A 46 -7.186 4.133 -18.807 1.00 0.00 C ATOM 663 O GLU A 46 -7.359 3.090 -18.177 1.00 0.00 O ATOM 664 CB GLU A 46 -8.436 6.283 -18.535 1.00 0.00 C ATOM 665 CG GLU A 46 -8.457 7.707 -18.006 1.00 0.00 C ATOM 666 CD GLU A 46 -8.368 7.769 -16.493 1.00 0.00 C ATOM 667 OE1 GLU A 46 -7.387 7.233 -15.935 1.00 0.00 O ATOM 668 OE2 GLU A 46 -9.278 8.353 -15.868 1.00 0.00 O ATOM 0 H GLU A 46 -6.144 7.215 -18.635 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.250 5.317 -17.026 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.478 6.308 -19.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.332 5.764 -18.194 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.625 8.263 -18.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.373 8.198 -18.333 1.00 0.00 H new ATOM 675 N VAL A 47 -6.976 4.159 -20.119 1.00 0.00 N ATOM 676 CA VAL A 47 -6.935 2.936 -20.911 1.00 0.00 C ATOM 677 C VAL A 47 -5.530 2.345 -20.937 1.00 0.00 C ATOM 678 O VAL A 47 -5.356 1.127 -20.897 1.00 0.00 O ATOM 679 CB VAL A 47 -7.401 3.187 -22.358 1.00 0.00 C ATOM 680 CG1 VAL A 47 -8.824 3.723 -22.375 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.453 4.146 -23.063 1.00 0.00 C ATOM 0 H VAL A 47 -6.832 5.014 -20.656 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.615 2.229 -20.436 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.389 2.239 -22.895 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.136 3.894 -23.405 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.492 2.998 -21.909 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.866 4.662 -21.822 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.797 4.312 -24.084 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.432 5.095 -22.528 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.451 3.718 -23.083 1.00 0.00 H new ATOM 691 N CYS A 48 -4.529 3.217 -21.004 1.00 0.00 N ATOM 692 CA CYS A 48 -3.137 2.783 -21.035 1.00 0.00 C ATOM 693 C CYS A 48 -2.942 1.521 -20.199 1.00 0.00 C ATOM 694 O CYS A 48 -2.648 0.451 -20.732 1.00 0.00 O ATOM 695 CB CYS A 48 -2.223 3.896 -20.520 1.00 0.00 C ATOM 696 SG CYS A 48 -0.445 3.544 -20.708 1.00 0.00 S ATOM 0 H CYS A 48 -4.656 4.228 -21.038 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.876 2.557 -22.069 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.458 4.819 -21.050 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.439 4.070 -19.466 1.00 0.00 H new ATOM 0 HG CYS A 48 0.240 4.618 -20.447 1.00 0.00 H new ATOM 701 N GLN A 49 -3.108 1.656 -18.887 1.00 0.00 N ATOM 702 CA GLN A 49 -2.950 0.527 -17.978 1.00 0.00 C ATOM 703 C GLN A 49 -3.835 -0.641 -18.401 1.00 0.00 C ATOM 704 O GLN A 49 -3.408 -1.796 -18.385 1.00 0.00 O ATOM 705 CB GLN A 49 -3.288 0.946 -16.546 1.00 0.00 C ATOM 706 CG GLN A 49 -3.080 -0.158 -15.523 1.00 0.00 C ATOM 707 CD GLN A 49 -3.617 0.207 -14.153 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.823 1.382 -13.847 1.00 0.00 O ATOM 709 NE2 GLN A 49 -3.846 -0.801 -13.319 1.00 0.00 N ATOM 0 H GLN A 49 -3.352 2.535 -18.430 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.910 0.204 -18.018 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.673 1.803 -16.273 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.327 1.274 -16.508 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.570 -1.067 -15.871 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.016 -0.380 -15.445 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.661 -1.760 -13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.207 -0.617 -12.383 1.00 0.00 H new ATOM 718 N LYS A 50 -5.071 -0.334 -18.778 1.00 0.00 N ATOM 719 CA LYS A 50 -6.018 -1.357 -19.206 1.00 0.00 C ATOM 720 C LYS A 50 -5.476 -2.133 -20.403 1.00 0.00 C ATOM 721 O LYS A 50 -5.715 -3.333 -20.537 1.00 0.00 O ATOM 722 CB LYS A 50 -7.362 -0.719 -19.565 1.00 0.00 C ATOM 723 CG LYS A 50 -8.324 -1.674 -20.251 1.00 0.00 C ATOM 724 CD LYS A 50 -9.261 -0.938 -21.195 1.00 0.00 C ATOM 725 CE LYS A 50 -9.665 -1.813 -22.372 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.009 -1.447 -22.899 1.00 0.00 N ATOM 0 H LYS A 50 -5.441 0.616 -18.796 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.162 -2.052 -18.379 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.828 -0.337 -18.656 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.186 0.137 -20.217 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.760 -2.423 -20.807 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.907 -2.207 -19.500 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.152 -0.622 -20.652 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.774 -0.034 -21.562 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.925 -1.717 -23.167 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.668 -2.858 -22.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.248 -2.066 -23.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.719 -1.562 -22.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.999 -0.457 -23.217 1.00 0.00 H new ATOM 740 N LEU A 51 -4.744 -1.440 -21.269 1.00 0.00 N ATOM 741 CA LEU A 51 -4.167 -2.065 -22.454 1.00 0.00 C ATOM 742 C LEU A 51 -2.968 -2.932 -22.083 1.00 0.00 C ATOM 743 O LEU A 51 -2.968 -4.139 -22.319 1.00 0.00 O ATOM 744 CB LEU A 51 -3.745 -0.996 -23.464 1.00 0.00 C ATOM 745 CG LEU A 51 -4.816 -0.556 -24.463 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.314 0.605 -25.307 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.230 -1.722 -25.348 1.00 0.00 C ATOM 0 H LEU A 51 -4.536 -0.446 -21.173 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.927 -2.703 -22.905 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.407 -0.118 -22.914 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.888 -1.371 -24.023 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.691 -0.221 -23.905 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.090 0.904 -26.012 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.068 1.446 -24.659 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.424 0.298 -25.856 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.993 -1.391 -26.053 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.363 -2.088 -25.897 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.632 -2.524 -24.729 1.00 0.00 H new ATOM 759 N GLN A 52 -1.950 -2.307 -21.500 1.00 0.00 N ATOM 760 CA GLN A 52 -0.746 -3.022 -21.095 1.00 0.00 C ATOM 761 C GLN A 52 -1.093 -4.394 -20.527 1.00 0.00 C ATOM 762 O GLN A 52 -0.443 -5.391 -20.844 1.00 0.00 O ATOM 763 CB GLN A 52 0.031 -2.210 -20.058 1.00 0.00 C ATOM 764 CG GLN A 52 0.490 -0.853 -20.568 1.00 0.00 C ATOM 765 CD GLN A 52 1.300 -0.952 -21.845 1.00 0.00 C ATOM 766 OE1 GLN A 52 2.600 -1.187 -21.705 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 0.765 -0.819 -22.946 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.935 -1.307 -21.298 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.123 -3.161 -21.978 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.596 -2.065 -19.178 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.902 -2.782 -19.738 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.381 -0.222 -20.743 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.089 -0.364 -19.800 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.237 -0.639 -23.008 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.324 -0.888 -23.796 1.00 0.00 H new ATOM 776 N ASP A 53 -2.120 -4.438 -19.686 1.00 0.00 N ATOM 777 CA ASP A 53 -2.554 -5.688 -19.074 1.00 0.00 C ATOM 778 C ASP A 53 -3.020 -6.680 -20.135 1.00 0.00 C ATOM 779 O ASP A 53 -2.618 -7.844 -20.130 1.00 0.00 O ATOM 780 CB ASP A 53 -3.681 -5.427 -18.073 1.00 0.00 C ATOM 781 CG ASP A 53 -4.166 -6.697 -17.402 1.00 0.00 C ATOM 782 OD1 ASP A 53 -3.333 -7.401 -16.793 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.378 -6.986 -17.485 1.00 0.00 O ATOM 0 H ASP A 53 -2.668 -3.622 -19.412 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.703 -6.120 -18.547 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.333 -4.728 -17.312 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.516 -4.949 -18.586 1.00 0.00 H new ATOM 788 N ALA A 54 -3.870 -6.212 -21.043 1.00 0.00 N ATOM 789 CA ALA A 54 -4.389 -7.057 -22.111 1.00 0.00 C ATOM 790 C ALA A 54 -3.258 -7.619 -22.966 1.00 0.00 C ATOM 791 O ALA A 54 -3.192 -8.824 -23.213 1.00 0.00 O ATOM 792 CB ALA A 54 -5.368 -6.275 -22.974 1.00 0.00 C ATOM 0 H ALA A 54 -4.214 -5.252 -21.060 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.914 -7.896 -21.654 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.748 -6.918 -23.768 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.199 -5.928 -22.359 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.860 -5.417 -23.414 1.00 0.00 H new ATOM 798 N LEU A 55 -2.370 -6.739 -23.416 1.00 0.00 N ATOM 799 CA LEU A 55 -1.241 -7.147 -24.244 1.00 0.00 C ATOM 800 C LEU A 55 -0.343 -8.128 -23.497 1.00 0.00 C ATOM 801 O LEU A 55 0.178 -9.078 -24.081 1.00 0.00 O ATOM 802 CB LEU A 55 -0.431 -5.923 -24.676 1.00 0.00 C ATOM 803 CG LEU A 55 -0.930 -5.193 -25.923 1.00 0.00 C ATOM 804 CD1 LEU A 55 -0.671 -6.026 -27.169 1.00 0.00 C ATOM 805 CD2 LEU A 55 -2.412 -4.870 -25.795 1.00 0.00 C ATOM 0 H LEU A 55 -2.410 -5.739 -23.221 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.634 -7.646 -25.130 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.412 -5.214 -23.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.598 -6.237 -24.851 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.381 -4.256 -26.016 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.033 -5.490 -28.047 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.399 -6.207 -27.270 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.193 -6.979 -27.085 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.750 -4.350 -26.692 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.977 -5.795 -25.677 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.572 -4.233 -24.925 1.00 0.00 H new ATOM 817 N LYS A 56 -0.168 -7.892 -22.201 1.00 0.00 N ATOM 818 CA LYS A 56 0.664 -8.755 -21.371 1.00 0.00 C ATOM 819 C LYS A 56 0.016 -10.125 -21.191 1.00 0.00 C ATOM 820 O LYS A 56 -1.095 -10.234 -20.672 1.00 0.00 O ATOM 821 CB LYS A 56 0.902 -8.109 -20.005 1.00 0.00 C ATOM 822 CG LYS A 56 1.621 -9.014 -19.021 1.00 0.00 C ATOM 823 CD LYS A 56 1.839 -8.324 -17.684 1.00 0.00 C ATOM 824 CE LYS A 56 2.913 -7.252 -17.779 1.00 0.00 C ATOM 825 NZ LYS A 56 2.895 -6.343 -16.600 1.00 0.00 N ATOM 0 H LYS A 56 -0.592 -7.109 -21.703 1.00 0.00 H new ATOM 0 HA LYS A 56 1.621 -8.888 -21.875 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.485 -7.198 -20.140 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.057 -7.814 -19.580 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.040 -9.924 -18.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.583 -9.314 -19.437 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.904 -7.875 -17.348 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.125 -9.062 -16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.892 -7.725 -17.858 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.766 -6.670 -18.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.642 -5.626 -16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.970 -5.872 -16.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.061 -6.894 -15.734 1.00 0.00 H new ATOM 839 N CYS A 57 0.718 -11.167 -21.623 1.00 0.00 N ATOM 840 CA CYS A 57 0.213 -12.530 -21.509 1.00 0.00 C ATOM 841 C CYS A 57 0.014 -12.916 -20.046 1.00 0.00 C ATOM 842 O CYS A 57 0.427 -12.191 -19.142 1.00 0.00 O ATOM 843 CB CYS A 57 1.176 -13.511 -22.180 1.00 0.00 C ATOM 844 SG CYS A 57 0.382 -15.036 -22.785 1.00 0.00 S ATOM 0 H CYS A 57 1.639 -11.094 -22.056 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.752 -12.576 -22.013 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.663 -13.011 -23.017 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.959 -13.779 -21.470 1.00 0.00 H new ATOM 0 HG CYS A 57 0.759 -16.042 -22.053 1.00 0.00 H new ATOM 849 N GLN A 58 -0.621 -14.062 -19.823 1.00 0.00 N ATOM 850 CA GLN A 58 -0.874 -14.544 -18.470 1.00 0.00 C ATOM 851 C GLN A 58 -0.176 -15.878 -18.228 1.00 0.00 C ATOM 852 O GLN A 58 0.360 -16.122 -17.146 1.00 0.00 O ATOM 853 CB GLN A 58 -2.378 -14.691 -18.232 1.00 0.00 C ATOM 854 CG GLN A 58 -3.070 -15.587 -19.247 1.00 0.00 C ATOM 855 CD GLN A 58 -4.542 -15.786 -18.942 1.00 0.00 C ATOM 856 OE1 GLN A 58 -4.939 -15.890 -17.781 1.00 0.00 O ATOM 857 NE2 GLN A 58 -5.361 -15.839 -19.986 1.00 0.00 N ATOM 0 H GLN A 58 -0.970 -14.674 -20.561 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.472 -13.812 -17.769 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.542 -15.094 -17.233 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.840 -13.704 -18.257 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.964 -15.153 -20.241 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.573 -16.557 -19.268 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.989 -15.748 -20.931 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.362 -15.970 -19.843 1.00 0.00 H new ATOM 866 N HIS A 59 -0.187 -16.738 -19.241 1.00 0.00 N ATOM 867 CA HIS A 59 0.446 -18.048 -19.137 1.00 0.00 C ATOM 868 C HIS A 59 1.958 -17.911 -18.983 1.00 0.00 C ATOM 869 O HIS A 59 2.579 -18.622 -18.193 1.00 0.00 O ATOM 870 CB HIS A 59 0.122 -18.894 -20.369 1.00 0.00 C ATOM 871 CG HIS A 59 -1.287 -19.400 -20.394 1.00 0.00 C ATOM 872 ND1 HIS A 59 -1.749 -20.381 -19.542 1.00 0.00 N ATOM 873 CD2 HIS A 59 -2.338 -19.056 -21.174 1.00 0.00 C ATOM 874 CE1 HIS A 59 -3.023 -20.618 -19.797 1.00 0.00 C ATOM 875 NE2 HIS A 59 -3.405 -19.827 -20.784 1.00 0.00 N ATOM 0 H HIS A 59 -0.627 -16.552 -20.142 1.00 0.00 H new ATOM 0 HA HIS A 59 0.052 -18.545 -18.250 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.302 -18.300 -21.265 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.805 -19.743 -20.407 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.338 -18.313 -21.958 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.647 -21.336 -19.286 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.340 -19.794 -21.190 1.00 0.00 H new ATOM 883 N CYS A 60 2.544 -16.992 -19.743 1.00 0.00 N ATOM 884 CA CYS A 60 3.983 -16.762 -19.693 1.00 0.00 C ATOM 885 C CYS A 60 4.298 -15.438 -19.003 1.00 0.00 C ATOM 886 O CYS A 60 5.421 -15.213 -18.552 1.00 0.00 O ATOM 887 CB CYS A 60 4.571 -16.766 -21.106 1.00 0.00 C ATOM 888 SG CYS A 60 4.159 -15.287 -22.087 1.00 0.00 S ATOM 0 H CYS A 60 2.044 -16.394 -20.401 1.00 0.00 H new ATOM 0 HA CYS A 60 4.435 -17.569 -19.116 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.655 -16.852 -21.037 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.214 -17.650 -21.634 1.00 0.00 H new ATOM 0 HG CYS A 60 4.409 -15.515 -23.342 1.00 0.00 H new ATOM 893 N ARG A 61 3.298 -14.565 -18.925 1.00 0.00 N ATOM 894 CA ARG A 61 3.468 -13.263 -18.291 1.00 0.00 C ATOM 895 C ARG A 61 4.501 -12.425 -19.039 1.00 0.00 C ATOM 896 O ARG A 61 5.437 -11.893 -18.441 1.00 0.00 O ATOM 897 CB ARG A 61 3.895 -13.434 -16.832 1.00 0.00 C ATOM 898 CG ARG A 61 2.735 -13.697 -15.886 1.00 0.00 C ATOM 899 CD ARG A 61 2.030 -12.407 -15.498 1.00 0.00 C ATOM 900 NE ARG A 61 0.867 -12.652 -14.648 1.00 0.00 N ATOM 901 CZ ARG A 61 -0.184 -11.843 -14.590 1.00 0.00 C ATOM 902 NH1 ARG A 61 -0.220 -10.742 -15.328 1.00 0.00 N ATOM 903 NH2 ARG A 61 -1.204 -12.135 -13.793 1.00 0.00 N ATOM 0 H ARG A 61 2.362 -14.736 -19.293 1.00 0.00 H new ATOM 0 HA ARG A 61 2.510 -12.743 -18.324 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.603 -14.260 -16.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.421 -12.536 -16.508 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.024 -14.373 -16.360 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.101 -14.197 -14.989 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.730 -11.755 -14.975 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.716 -11.881 -16.399 1.00 0.00 H new ATOM 0 HE ARG A 61 0.862 -13.491 -14.067 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.561 -10.514 -15.943 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.029 -10.123 -15.281 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.181 -12.981 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.011 -11.513 -13.749 1.00 0.00 H new ATOM 917 N LYS A 62 4.326 -12.312 -20.351 1.00 0.00 N ATOM 918 CA LYS A 62 5.241 -11.538 -21.182 1.00 0.00 C ATOM 919 C LYS A 62 4.631 -10.191 -21.554 1.00 0.00 C ATOM 920 O LYS A 62 3.442 -9.957 -21.338 1.00 0.00 O ATOM 921 CB LYS A 62 5.593 -12.318 -22.451 1.00 0.00 C ATOM 922 CG LYS A 62 6.724 -13.313 -22.259 1.00 0.00 C ATOM 923 CD LYS A 62 8.067 -12.711 -22.637 1.00 0.00 C ATOM 924 CE LYS A 62 9.219 -13.484 -22.014 1.00 0.00 C ATOM 925 NZ LYS A 62 9.558 -14.703 -22.800 1.00 0.00 N ATOM 0 H LYS A 62 3.558 -12.747 -20.862 1.00 0.00 H new ATOM 0 HA LYS A 62 6.150 -11.359 -20.608 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.707 -12.850 -22.798 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.869 -11.614 -23.236 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.750 -13.639 -21.219 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.538 -14.199 -22.866 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.174 -12.709 -23.722 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.106 -11.672 -22.311 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.095 -12.839 -21.948 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.956 -13.770 -20.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.348 -15.202 -22.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.730 -15.330 -22.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.834 -14.429 -23.765 1.00 0.00 H new ATOM 939 N GLN A 63 5.452 -9.309 -22.115 1.00 0.00 N ATOM 940 CA GLN A 63 4.992 -7.985 -22.518 1.00 0.00 C ATOM 941 C GLN A 63 4.918 -7.873 -24.037 1.00 0.00 C ATOM 942 O GLN A 63 5.758 -8.420 -24.752 1.00 0.00 O ATOM 943 CB GLN A 63 5.923 -6.907 -21.959 1.00 0.00 C ATOM 944 CG GLN A 63 5.221 -5.591 -21.664 1.00 0.00 C ATOM 945 CD GLN A 63 4.760 -4.881 -22.922 1.00 0.00 C ATOM 946 OE1 GLN A 63 5.564 -4.559 -23.797 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.459 -4.633 -23.018 1.00 0.00 N ATOM 0 H GLN A 63 6.439 -9.487 -22.301 1.00 0.00 H new ATOM 0 HA GLN A 63 3.991 -7.836 -22.113 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.385 -7.276 -21.043 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.728 -6.728 -22.672 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.361 -5.778 -21.021 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.897 -4.939 -21.110 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.829 -4.918 -22.268 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.090 -4.158 -23.841 1.00 0.00 H new ATOM 956 N PHE A 64 3.907 -7.161 -24.524 1.00 0.00 N ATOM 957 CA PHE A 64 3.723 -6.978 -25.959 1.00 0.00 C ATOM 958 C PHE A 64 3.150 -5.596 -26.262 1.00 0.00 C ATOM 959 O PHE A 64 2.328 -5.073 -25.509 1.00 0.00 O ATOM 960 CB PHE A 64 2.796 -8.060 -26.517 1.00 0.00 C ATOM 961 CG PHE A 64 3.255 -9.457 -26.213 1.00 0.00 C ATOM 962 CD1 PHE A 64 3.016 -10.024 -24.972 1.00 0.00 C ATOM 963 CD2 PHE A 64 3.926 -10.204 -27.168 1.00 0.00 C ATOM 964 CE1 PHE A 64 3.436 -11.310 -24.689 1.00 0.00 C ATOM 965 CE2 PHE A 64 4.348 -11.490 -26.891 1.00 0.00 C ATOM 966 CZ PHE A 64 4.104 -12.044 -25.649 1.00 0.00 C ATOM 0 H PHE A 64 3.203 -6.702 -23.946 1.00 0.00 H new ATOM 0 HA PHE A 64 4.698 -7.061 -26.439 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.796 -7.917 -26.107 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.718 -7.939 -27.597 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.495 -9.454 -24.217 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.121 -9.776 -28.140 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.242 -11.740 -23.718 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.868 -12.062 -27.645 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.435 -13.048 -25.430 1.00 0.00 H new ATOM 976 N LYS A 65 3.592 -5.010 -27.369 1.00 0.00 N ATOM 977 CA LYS A 65 3.124 -3.689 -27.774 1.00 0.00 C ATOM 978 C LYS A 65 2.456 -3.745 -29.144 1.00 0.00 C ATOM 979 O LYS A 65 2.534 -2.795 -29.923 1.00 0.00 O ATOM 980 CB LYS A 65 4.292 -2.700 -27.805 1.00 0.00 C ATOM 981 CG LYS A 65 3.865 -1.250 -27.648 1.00 0.00 C ATOM 982 CD LYS A 65 3.609 -0.899 -26.192 1.00 0.00 C ATOM 983 CE LYS A 65 4.911 -0.720 -25.426 1.00 0.00 C ATOM 984 NZ LYS A 65 4.670 -0.361 -24.001 1.00 0.00 N ATOM 0 H LYS A 65 4.274 -5.428 -28.002 1.00 0.00 H new ATOM 0 HA LYS A 65 2.388 -3.352 -27.044 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.992 -2.952 -27.009 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.828 -2.812 -28.748 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.639 -0.596 -28.050 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.962 -1.071 -28.231 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.023 0.018 -26.135 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.016 -1.686 -25.726 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.491 -1.641 -25.475 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.508 0.059 -25.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.525 -0.559 -23.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.438 0.651 -23.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.878 -0.924 -23.630 1.00 0.00 H new ATOM 998 N SER A 66 1.797 -4.863 -29.431 1.00 0.00 N ATOM 999 CA SER A 66 1.116 -5.044 -30.707 1.00 0.00 C ATOM 1000 C SER A 66 0.180 -6.247 -30.659 1.00 0.00 C ATOM 1001 O SER A 66 0.615 -7.380 -30.452 1.00 0.00 O ATOM 1002 CB SER A 66 2.137 -5.222 -31.833 1.00 0.00 C ATOM 1003 OG SER A 66 2.498 -3.974 -32.397 1.00 0.00 O ATOM 0 H SER A 66 1.720 -5.658 -28.796 1.00 0.00 H new ATOM 0 HA SER A 66 0.521 -4.152 -30.902 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.026 -5.720 -31.446 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.721 -5.867 -32.607 1.00 0.00 H new ATOM 0 HG SER A 66 2.586 -3.307 -31.685 1.00 0.00 H new ATOM 1009 N LYS A 67 -1.110 -5.993 -30.851 1.00 0.00 N ATOM 1010 CA LYS A 67 -2.111 -7.054 -30.830 1.00 0.00 C ATOM 1011 C LYS A 67 -1.710 -8.197 -31.758 1.00 0.00 C ATOM 1012 O LYS A 67 -1.781 -9.367 -31.382 1.00 0.00 O ATOM 1013 CB LYS A 67 -3.477 -6.503 -31.243 1.00 0.00 C ATOM 1014 CG LYS A 67 -4.298 -5.976 -30.079 1.00 0.00 C ATOM 1015 CD LYS A 67 -5.788 -6.128 -30.333 1.00 0.00 C ATOM 1016 CE LYS A 67 -6.348 -4.940 -31.100 1.00 0.00 C ATOM 1017 NZ LYS A 67 -6.194 -5.109 -32.572 1.00 0.00 N ATOM 0 H LYS A 67 -1.487 -5.061 -31.023 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.175 -7.440 -29.813 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.332 -5.701 -31.967 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.039 -7.289 -31.747 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.027 -6.512 -29.169 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.062 -4.925 -29.912 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.970 -7.044 -30.895 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.312 -6.228 -29.382 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.403 -4.815 -30.857 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.838 -4.030 -30.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.702 -4.282 -32.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.640 -5.967 -32.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.133 -5.196 -33.012 1.00 0.00 H new ATOM 1031 N ALA A 68 -1.289 -7.850 -32.969 1.00 0.00 N ATOM 1032 CA ALA A 68 -0.874 -8.847 -33.948 1.00 0.00 C ATOM 1033 C ALA A 68 0.201 -9.765 -33.376 1.00 0.00 C ATOM 1034 O ALA A 68 0.200 -10.969 -33.625 1.00 0.00 O ATOM 1035 CB ALA A 68 -0.372 -8.167 -35.214 1.00 0.00 C ATOM 0 H ALA A 68 -1.226 -6.886 -33.296 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.741 -9.458 -34.197 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.065 -8.924 -35.936 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.170 -7.559 -35.641 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.479 -7.530 -34.972 1.00 0.00 H new ATOM 1041 N GLY A 69 1.119 -9.186 -32.607 1.00 0.00 N ATOM 1042 CA GLY A 69 2.187 -9.966 -32.012 1.00 0.00 C ATOM 1043 C GLY A 69 1.681 -10.942 -30.969 1.00 0.00 C ATOM 1044 O GLY A 69 2.030 -12.124 -30.992 1.00 0.00 O ATOM 0 H GLY A 69 1.141 -8.190 -32.386 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.711 -10.515 -32.794 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.912 -9.293 -31.554 1.00 0.00 H new ATOM 1048 N LEU A 70 0.857 -10.450 -30.051 1.00 0.00 N ATOM 1049 CA LEU A 70 0.303 -11.286 -28.992 1.00 0.00 C ATOM 1050 C LEU A 70 -0.441 -12.483 -29.577 1.00 0.00 C ATOM 1051 O LEU A 70 -0.367 -13.591 -29.049 1.00 0.00 O ATOM 1052 CB LEU A 70 -0.640 -10.468 -28.109 1.00 0.00 C ATOM 1053 CG LEU A 70 -1.248 -11.203 -26.914 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -0.171 -11.557 -25.900 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -2.337 -10.359 -26.266 1.00 0.00 C ATOM 0 H LEU A 70 0.557 -9.476 -30.019 1.00 0.00 H new ATOM 0 HA LEU A 70 1.130 -11.655 -28.385 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.096 -9.600 -27.737 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.453 -10.092 -28.731 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.698 -12.129 -27.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.623 -12.079 -25.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.573 -12.201 -26.369 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.310 -10.645 -25.546 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.758 -10.898 -25.417 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.911 -9.417 -25.922 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.123 -10.157 -26.994 1.00 0.00 H new ATOM 1067 N ASN A 71 -1.157 -12.250 -30.673 1.00 0.00 N ATOM 1068 CA ASN A 71 -1.914 -13.309 -31.331 1.00 0.00 C ATOM 1069 C ASN A 71 -0.983 -14.403 -31.845 1.00 0.00 C ATOM 1070 O ASN A 71 -1.223 -15.591 -31.625 1.00 0.00 O ATOM 1071 CB ASN A 71 -2.732 -12.735 -32.489 1.00 0.00 C ATOM 1072 CG ASN A 71 -4.025 -12.094 -32.022 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -5.111 -12.464 -32.467 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -3.912 -11.126 -31.119 1.00 0.00 N ATOM 0 H ASN A 71 -1.229 -11.338 -31.124 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.592 -13.747 -30.598 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.134 -11.995 -33.021 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.960 -13.530 -33.199 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.747 -10.657 -30.767 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.991 -10.852 -30.778 1.00 0.00 H new ATOM 1081 N TYR A 72 0.080 -13.995 -32.529 1.00 0.00 N ATOM 1082 CA TYR A 72 1.046 -14.941 -33.076 1.00 0.00 C ATOM 1083 C TYR A 72 1.793 -15.663 -31.959 1.00 0.00 C ATOM 1084 O TYR A 72 2.066 -16.860 -32.051 1.00 0.00 O ATOM 1085 CB TYR A 72 2.040 -14.218 -33.986 1.00 0.00 C ATOM 1086 CG TYR A 72 2.668 -15.113 -35.029 1.00 0.00 C ATOM 1087 CD1 TYR A 72 1.999 -15.413 -36.209 1.00 0.00 C ATOM 1088 CD2 TYR A 72 3.931 -15.659 -34.835 1.00 0.00 C ATOM 1089 CE1 TYR A 72 2.569 -16.232 -37.165 1.00 0.00 C ATOM 1090 CE2 TYR A 72 4.510 -16.477 -35.786 1.00 0.00 C ATOM 1091 CZ TYR A 72 3.825 -16.761 -36.949 1.00 0.00 C ATOM 1092 OH TYR A 72 4.396 -17.576 -37.899 1.00 0.00 O ATOM 0 H TYR A 72 0.295 -13.016 -32.718 1.00 0.00 H new ATOM 0 HA TYR A 72 0.501 -15.681 -33.661 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.530 -13.395 -34.486 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.828 -13.780 -33.374 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.017 -14.999 -36.382 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.469 -15.440 -33.925 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.034 -16.457 -38.076 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.493 -16.892 -35.620 1.00 0.00 H new ATOM 0 HH TYR A 72 5.282 -17.864 -37.594 1.00 0.00 H new ATOM 1102 N HIS A 73 2.122 -14.925 -30.903 1.00 0.00 N ATOM 1103 CA HIS A 73 2.837 -15.494 -29.766 1.00 0.00 C ATOM 1104 C HIS A 73 1.959 -16.490 -29.014 1.00 0.00 C ATOM 1105 O HIS A 73 2.396 -17.591 -28.678 1.00 0.00 O ATOM 1106 CB HIS A 73 3.297 -14.385 -28.819 1.00 0.00 C ATOM 1107 CG HIS A 73 3.302 -14.793 -27.378 1.00 0.00 C ATOM 1108 ND1 HIS A 73 2.282 -14.990 -26.510 1.00 0.00 N flip ATOM 1109 CD2 HIS A 73 4.459 -15.044 -26.671 1.00 0.00 C flip ATOM 1110 CE1 HIS A 73 2.836 -15.354 -25.307 1.00 0.00 C flip ATOM 1111 NE2 HIS A 73 4.151 -15.380 -25.431 1.00 0.00 N flip ATOM 0 H HIS A 73 1.905 -13.933 -30.811 1.00 0.00 H new ATOM 0 HA HIS A 73 3.711 -16.023 -30.146 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.301 -14.070 -29.102 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.645 -13.520 -28.941 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.287 -14.887 -26.712 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.461 -14.976 -27.069 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.286 -15.582 -24.406 1.00 0.00 H new ATOM 1119 N THR A 74 0.717 -16.095 -28.752 1.00 0.00 N ATOM 1120 CA THR A 74 -0.223 -16.951 -28.038 1.00 0.00 C ATOM 1121 C THR A 74 -0.422 -18.275 -28.766 1.00 0.00 C ATOM 1122 O THR A 74 -0.676 -19.305 -28.142 1.00 0.00 O ATOM 1123 CB THR A 74 -1.590 -16.263 -27.865 1.00 0.00 C ATOM 1124 OG1 THR A 74 -1.416 -14.971 -27.272 1.00 0.00 O ATOM 1125 CG2 THR A 74 -2.513 -17.105 -26.997 1.00 0.00 C ATOM 0 H THR A 74 0.338 -15.188 -29.024 1.00 0.00 H new ATOM 0 HA THR A 74 0.207 -17.141 -27.054 1.00 0.00 H new ATOM 0 HB THR A 74 -2.044 -16.152 -28.850 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.357 -14.293 -27.977 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.472 -16.599 -26.889 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.666 -18.077 -27.465 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.063 -17.243 -26.014 1.00 0.00 H new ATOM 1133 N MET A 75 -0.305 -18.241 -30.090 1.00 0.00 N ATOM 1134 CA MET A 75 -0.471 -19.441 -30.902 1.00 0.00 C ATOM 1135 C MET A 75 0.860 -20.166 -31.079 1.00 0.00 C ATOM 1136 O MET A 75 0.903 -21.393 -31.155 1.00 0.00 O ATOM 1137 CB MET A 75 -1.053 -19.079 -32.270 1.00 0.00 C ATOM 1138 CG MET A 75 -0.021 -18.543 -33.248 1.00 0.00 C ATOM 1139 SD MET A 75 -0.588 -18.601 -34.959 1.00 0.00 S ATOM 1140 CE MET A 75 0.583 -19.759 -35.664 1.00 0.00 C ATOM 0 H MET A 75 -0.096 -17.396 -30.623 1.00 0.00 H new ATOM 0 HA MET A 75 -1.162 -20.107 -30.385 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.524 -19.963 -32.700 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.836 -18.333 -32.136 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.223 -17.514 -32.985 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.898 -19.122 -33.154 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.363 -19.900 -36.722 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.594 -19.367 -35.553 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.506 -20.715 -35.147 1.00 0.00 H new ATOM 1150 N ALA A 76 1.943 -19.399 -31.144 1.00 0.00 N ATOM 1151 CA ALA A 76 3.274 -19.969 -31.310 1.00 0.00 C ATOM 1152 C ALA A 76 3.784 -20.563 -30.001 1.00 0.00 C ATOM 1153 O ALA A 76 4.057 -21.760 -29.918 1.00 0.00 O ATOM 1154 CB ALA A 76 4.240 -18.912 -31.824 1.00 0.00 C ATOM 0 H ALA A 76 1.925 -18.381 -31.084 1.00 0.00 H new ATOM 0 HA ALA A 76 3.209 -20.773 -32.043 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.230 -19.351 -31.943 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.891 -18.537 -32.786 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.292 -18.089 -31.111 1.00 0.00 H new ATOM 1160 N GLU A 77 3.909 -19.718 -28.982 1.00 0.00 N ATOM 1161 CA GLU A 77 4.388 -20.162 -27.678 1.00 0.00 C ATOM 1162 C GLU A 77 3.394 -21.122 -27.031 1.00 0.00 C ATOM 1163 O GLU A 77 3.754 -22.229 -26.630 1.00 0.00 O ATOM 1164 CB GLU A 77 4.624 -18.960 -26.761 1.00 0.00 C ATOM 1165 CG GLU A 77 6.005 -18.344 -26.907 1.00 0.00 C ATOM 1166 CD GLU A 77 7.065 -19.099 -26.128 1.00 0.00 C ATOM 1167 OE1 GLU A 77 7.093 -20.344 -26.219 1.00 0.00 O ATOM 1168 OE2 GLU A 77 7.866 -18.445 -25.429 1.00 0.00 O ATOM 0 H GLU A 77 3.686 -18.724 -29.034 1.00 0.00 H new ATOM 0 HA GLU A 77 5.331 -20.688 -27.826 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.872 -18.200 -26.972 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.481 -19.270 -25.726 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.280 -18.323 -27.962 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.976 -17.310 -26.565 1.00 0.00 H new ATOM 1175 N HIS A 78 2.141 -20.689 -26.932 1.00 0.00 N ATOM 1176 CA HIS A 78 1.094 -21.509 -26.334 1.00 0.00 C ATOM 1177 C HIS A 78 0.108 -21.991 -27.395 1.00 0.00 C ATOM 1178 O HIS A 78 0.292 -21.741 -28.586 1.00 0.00 O ATOM 1179 CB HIS A 78 0.353 -20.720 -25.254 1.00 0.00 C ATOM 1180 CG HIS A 78 1.217 -19.729 -24.537 1.00 0.00 C ATOM 1181 ND1 HIS A 78 2.568 -19.917 -24.335 1.00 0.00 N ATOM 1182 CD2 HIS A 78 0.916 -18.536 -23.975 1.00 0.00 C ATOM 1183 CE1 HIS A 78 3.060 -18.882 -23.678 1.00 0.00 C ATOM 1184 NE2 HIS A 78 2.078 -18.029 -23.447 1.00 0.00 N ATOM 0 H HIS A 78 1.826 -19.775 -27.258 1.00 0.00 H new ATOM 0 HA HIS A 78 1.565 -22.380 -25.878 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -0.486 -20.195 -25.711 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -0.065 -21.418 -24.528 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.057 -18.069 -23.947 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.090 -18.755 -23.380 1.00 0.00 H new ATOM 0 HE2 HIS A 78 2.168 -17.139 -22.957 1.00 0.00 H new